USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 Single : A 4 THR OG1 : rot 37:sc= 0.0529 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.549 X(o=-0.55,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -126:sc= -5.3! (180deg=-12.4!) USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 1.5 (180deg=-0.473) USER MOD Single : A 20 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= -3.14 (180deg=-3.33) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0492 (180deg=-0.308) USER MOD Single : A 27 THR OG1 : rot -74:sc= 0.387 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 33:sc= 0.913 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 47 MET CE :methyl -145:sc= -1.41 (180deg=-4.13!) USER MOD Single : A 48 MET CE :methyl 145:sc= -1.02 (180deg=-4.09!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.697 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0325 (180deg=-0.268) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.064) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 155:sc= -0.698 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.513 K(o=-0.51,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 1.873 -5.016 -7.411 1.00 11.21 N ATOM 44 CA THR A 4 1.264 -5.463 -8.657 1.00 42.44 C ATOM 45 C THR A 4 1.030 -4.292 -9.605 1.00 60.15 C ATOM 46 O THR A 4 0.982 -4.467 -10.823 1.00 62.21 O ATOM 47 CB THR A 4 -0.076 -6.179 -8.403 1.00 43.42 C ATOM 48 OG1 THR A 4 0.133 -7.330 -7.577 1.00 52.52 O ATOM 49 CG2 THR A 4 -0.722 -6.600 -9.715 1.00 4.44 C ATOM 0 HA THR A 4 1.961 -6.165 -9.115 1.00 42.44 H new ATOM 0 HB THR A 4 -0.744 -5.484 -7.894 1.00 43.42 H new ATOM 0 HG1 THR A 4 0.819 -7.131 -6.906 1.00 52.52 H new ATOM 0 HG21 THR A 4 -1.667 -7.104 -9.510 1.00 4.44 H new ATOM 0 HG22 THR A 4 -0.906 -5.719 -10.329 1.00 4.44 H new ATOM 0 HG23 THR A 4 -0.056 -7.280 -10.247 1.00 4.44 H new ATOM 57 N ASP A 5 0.885 -3.099 -9.040 1.00 4.20 N ATOM 58 CA ASP A 5 0.658 -1.898 -9.836 1.00 31.12 C ATOM 59 C ASP A 5 1.735 -1.743 -10.905 1.00 75.04 C ATOM 60 O ASP A 5 1.442 -1.403 -12.052 1.00 12.11 O ATOM 61 CB ASP A 5 0.633 -0.661 -8.936 1.00 62.33 C ATOM 62 CG ASP A 5 0.232 0.593 -9.688 1.00 5.05 C ATOM 63 OD1 ASP A 5 1.067 1.119 -10.454 1.00 25.54 O ATOM 64 OD2 ASP A 5 -0.916 1.049 -9.510 1.00 73.21 O ATOM 0 H ASP A 5 0.921 -2.937 -8.034 1.00 4.20 H new ATOM 0 HA ASP A 5 -0.308 -1.997 -10.331 1.00 31.12 H new ATOM 0 HB2 ASP A 5 -0.064 -0.827 -8.114 1.00 62.33 H new ATOM 0 HB3 ASP A 5 1.619 -0.517 -8.494 1.00 62.33 H new ATOM 69 N LYS A 6 2.982 -1.994 -10.523 1.00 10.45 N ATOM 70 CA LYS A 6 4.104 -1.882 -11.447 1.00 74.55 C ATOM 71 C LYS A 6 3.893 -2.773 -12.668 1.00 21.55 C ATOM 72 O LYS A 6 4.332 -2.445 -13.770 1.00 60.43 O ATOM 73 CB LYS A 6 5.410 -2.261 -10.745 1.00 73.25 C ATOM 74 CG LYS A 6 6.503 -1.216 -10.890 1.00 33.45 C ATOM 75 CD LYS A 6 7.351 -1.464 -12.125 1.00 44.04 C ATOM 76 CE LYS A 6 8.760 -0.918 -11.953 1.00 24.15 C ATOM 77 NZ LYS A 6 8.877 0.483 -12.444 1.00 72.45 N ATOM 0 H LYS A 6 3.242 -2.277 -9.578 1.00 10.45 H new ATOM 0 HA LYS A 6 4.166 -0.846 -11.781 1.00 74.55 H new ATOM 0 HB2 LYS A 6 5.210 -2.421 -9.686 1.00 73.25 H new ATOM 0 HB3 LYS A 6 5.768 -3.208 -11.149 1.00 73.25 H new ATOM 0 HG2 LYS A 6 6.054 -0.224 -10.949 1.00 33.45 H new ATOM 0 HG3 LYS A 6 7.138 -1.226 -10.004 1.00 33.45 H new ATOM 0 HD2 LYS A 6 7.397 -2.534 -12.327 1.00 44.04 H new ATOM 0 HD3 LYS A 6 6.881 -0.996 -12.990 1.00 44.04 H new ATOM 0 HE2 LYS A 6 9.039 -0.958 -10.900 1.00 24.15 H new ATOM 0 HE3 LYS A 6 9.463 -1.552 -12.493 1.00 24.15 H new ATOM 0 HZ1 LYS A 6 9.852 0.818 -12.309 1.00 72.45 H new ATOM 0 HZ2 LYS A 6 8.636 0.518 -13.455 1.00 72.45 H new ATOM 0 HZ3 LYS A 6 8.225 1.093 -11.911 1.00 72.45 H new ATOM 91 N ILE A 7 3.219 -3.900 -12.463 1.00 14.24 N ATOM 92 CA ILE A 7 2.948 -4.836 -13.547 1.00 2.32 C ATOM 93 C ILE A 7 2.124 -4.178 -14.648 1.00 53.11 C ATOM 94 O ILE A 7 2.272 -4.503 -15.826 1.00 2.44 O ATOM 95 CB ILE A 7 2.203 -6.085 -13.040 1.00 2.42 C ATOM 96 CG1 ILE A 7 2.964 -6.721 -11.874 1.00 53.24 C ATOM 97 CG2 ILE A 7 2.019 -7.087 -14.170 1.00 5.25 C ATOM 98 CD1 ILE A 7 2.254 -7.911 -11.267 1.00 52.43 C ATOM 0 H ILE A 7 2.851 -4.187 -11.556 1.00 14.24 H new ATOM 0 HA ILE A 7 3.914 -5.139 -13.951 1.00 2.32 H new ATOM 0 HB ILE A 7 1.218 -5.784 -12.685 1.00 2.42 H new ATOM 0 HG12 ILE A 7 3.949 -7.034 -12.221 1.00 53.24 H new ATOM 0 HG13 ILE A 7 3.122 -5.969 -11.101 1.00 53.24 H new ATOM 0 HG21 ILE A 7 1.491 -7.964 -13.796 1.00 5.25 H new ATOM 0 HG22 ILE A 7 1.440 -6.629 -14.972 1.00 5.25 H new ATOM 0 HG23 ILE A 7 2.995 -7.387 -14.553 1.00 5.25 H new ATOM 0 HD11 ILE A 7 2.850 -8.311 -10.447 1.00 52.43 H new ATOM 0 HD12 ILE A 7 1.280 -7.600 -10.889 1.00 52.43 H new ATOM 0 HD13 ILE A 7 2.119 -8.681 -12.027 1.00 52.43 H new ATOM 110 N GLU A 8 1.256 -3.250 -14.256 1.00 73.32 N ATOM 111 CA GLU A 8 0.408 -2.546 -15.211 1.00 42.02 C ATOM 112 C GLU A 8 1.250 -1.863 -16.285 1.00 61.02 C ATOM 113 O GLU A 8 1.023 -2.054 -17.480 1.00 4.24 O ATOM 114 CB GLU A 8 -0.458 -1.510 -14.491 1.00 62.22 C ATOM 115 CG GLU A 8 -1.445 -2.119 -13.510 1.00 11.14 C ATOM 116 CD GLU A 8 -2.228 -1.070 -12.743 1.00 63.14 C ATOM 117 OE1 GLU A 8 -1.948 0.133 -12.928 1.00 62.43 O ATOM 118 OE2 GLU A 8 -3.121 -1.453 -11.959 1.00 24.04 O ATOM 0 H GLU A 8 1.122 -2.969 -13.285 1.00 73.32 H new ATOM 0 HA GLU A 8 -0.240 -3.279 -15.692 1.00 42.02 H new ATOM 0 HB2 GLU A 8 0.190 -0.815 -13.957 1.00 62.22 H new ATOM 0 HB3 GLU A 8 -1.007 -0.929 -15.232 1.00 62.22 H new ATOM 0 HG2 GLU A 8 -2.139 -2.762 -14.051 1.00 11.14 H new ATOM 0 HG3 GLU A 8 -0.907 -2.753 -12.805 1.00 11.14 H new ATOM 125 N GLN A 9 2.221 -1.067 -15.850 1.00 41.41 N ATOM 126 CA GLN A 9 3.096 -0.354 -16.774 1.00 32.31 C ATOM 127 C GLN A 9 4.196 -1.271 -17.298 1.00 4.11 C ATOM 128 O GLN A 9 4.779 -1.020 -18.353 1.00 53.42 O ATOM 129 CB GLN A 9 3.715 0.864 -16.087 1.00 13.13 C ATOM 130 CG GLN A 9 2.903 2.138 -16.260 1.00 22.22 C ATOM 131 CD GLN A 9 2.651 2.476 -17.716 1.00 32.41 C ATOM 132 OE1 GLN A 9 1.631 2.089 -18.287 1.00 14.40 O ATOM 133 NE2 GLN A 9 3.581 3.201 -18.326 1.00 24.25 N ATOM 0 H GLN A 9 2.422 -0.899 -14.864 1.00 41.41 H new ATOM 0 HA GLN A 9 2.494 -0.018 -17.619 1.00 32.31 H new ATOM 0 HB2 GLN A 9 3.824 0.654 -15.023 1.00 13.13 H new ATOM 0 HB3 GLN A 9 4.717 1.025 -16.485 1.00 13.13 H new ATOM 0 HG2 GLN A 9 1.948 2.028 -15.746 1.00 22.22 H new ATOM 0 HG3 GLN A 9 3.428 2.966 -15.784 1.00 22.22 H new ATOM 0 HE21 GLN A 9 4.411 3.501 -17.814 1.00 24.25 H new ATOM 0 HE22 GLN A 9 3.465 3.458 -19.306 1.00 24.25 H new ATOM 142 N LYS A 10 4.477 -2.335 -16.554 1.00 23.23 N ATOM 143 CA LYS A 10 5.507 -3.291 -16.943 1.00 24.05 C ATOM 144 C LYS A 10 5.013 -4.196 -18.066 1.00 63.34 C ATOM 145 O LYS A 10 5.772 -5.000 -18.609 1.00 30.15 O ATOM 146 CB LYS A 10 5.927 -4.138 -15.739 1.00 2.53 C ATOM 147 CG LYS A 10 7.225 -4.897 -15.952 1.00 61.02 C ATOM 148 CD LYS A 10 7.689 -5.578 -14.676 1.00 21.24 C ATOM 149 CE LYS A 10 6.675 -6.602 -14.190 1.00 71.40 C ATOM 150 NZ LYS A 10 7.170 -7.354 -13.004 1.00 23.31 N ATOM 0 H LYS A 10 4.005 -2.557 -15.677 1.00 23.23 H new ATOM 0 HA LYS A 10 6.369 -2.731 -17.304 1.00 24.05 H new ATOM 0 HB2 LYS A 10 6.033 -3.490 -14.869 1.00 2.53 H new ATOM 0 HB3 LYS A 10 5.133 -4.849 -15.511 1.00 2.53 H new ATOM 0 HG2 LYS A 10 7.087 -5.643 -16.734 1.00 61.02 H new ATOM 0 HG3 LYS A 10 7.996 -4.210 -16.300 1.00 61.02 H new ATOM 0 HD2 LYS A 10 8.647 -6.068 -14.851 1.00 21.24 H new ATOM 0 HD3 LYS A 10 7.851 -4.829 -13.901 1.00 21.24 H new ATOM 0 HE2 LYS A 10 5.743 -6.098 -13.937 1.00 71.40 H new ATOM 0 HE3 LYS A 10 6.451 -7.301 -14.995 1.00 71.40 H new ATOM 0 HZ1 LYS A 10 6.450 -8.042 -12.704 1.00 23.31 H new ATOM 0 HZ2 LYS A 10 8.046 -7.856 -13.252 1.00 23.31 H new ATOM 0 HZ3 LYS A 10 7.360 -6.690 -12.226 1.00 23.31 H new ATOM 164 N VAL A 11 3.737 -4.060 -18.413 1.00 3.53 N ATOM 165 CA VAL A 11 3.143 -4.863 -19.474 1.00 72.20 C ATOM 166 C VAL A 11 3.787 -4.557 -20.821 1.00 61.55 C ATOM 167 O VAL A 11 3.856 -5.420 -21.698 1.00 2.13 O ATOM 168 CB VAL A 11 1.625 -4.623 -19.577 1.00 11.11 C ATOM 169 CG1 VAL A 11 1.340 -3.226 -20.107 1.00 10.13 C ATOM 170 CG2 VAL A 11 0.977 -5.679 -20.459 1.00 63.25 C ATOM 0 H VAL A 11 3.095 -3.400 -17.974 1.00 3.53 H new ATOM 0 HA VAL A 11 3.322 -5.907 -19.218 1.00 72.20 H new ATOM 0 HB VAL A 11 1.194 -4.702 -18.579 1.00 11.11 H new ATOM 0 HG11 VAL A 11 0.263 -3.075 -20.173 1.00 10.13 H new ATOM 0 HG12 VAL A 11 1.770 -2.486 -19.432 1.00 10.13 H new ATOM 0 HG13 VAL A 11 1.783 -3.115 -21.097 1.00 10.13 H new ATOM 0 HG21 VAL A 11 -0.095 -5.494 -20.520 1.00 63.25 H new ATOM 0 HG22 VAL A 11 1.411 -5.635 -21.458 1.00 63.25 H new ATOM 0 HG23 VAL A 11 1.151 -6.667 -20.032 1.00 63.25 H new ATOM 180 N ILE A 12 4.258 -3.325 -20.980 1.00 32.12 N ATOM 181 CA ILE A 12 4.898 -2.906 -22.220 1.00 63.03 C ATOM 182 C ILE A 12 6.190 -3.679 -22.460 1.00 65.43 C ATOM 183 O ILE A 12 6.500 -4.054 -23.591 1.00 13.01 O ATOM 184 CB ILE A 12 5.210 -1.398 -22.211 1.00 41.24 C ATOM 185 CG1 ILE A 12 5.881 -0.986 -23.524 1.00 14.35 C ATOM 186 CG2 ILE A 12 6.095 -1.047 -21.025 1.00 24.01 C ATOM 187 CD1 ILE A 12 6.376 0.443 -23.526 1.00 3.41 C ATOM 0 H ILE A 12 4.208 -2.599 -20.265 1.00 32.12 H new ATOM 0 HA ILE A 12 4.195 -3.119 -23.025 1.00 63.03 H new ATOM 0 HB ILE A 12 4.273 -0.849 -22.115 1.00 41.24 H new ATOM 0 HG12 ILE A 12 6.721 -1.653 -23.719 1.00 14.35 H new ATOM 0 HG13 ILE A 12 5.173 -1.118 -24.342 1.00 14.35 H new ATOM 0 HG21 ILE A 12 6.307 0.022 -21.033 1.00 24.01 H new ATOM 0 HG22 ILE A 12 5.583 -1.309 -20.099 1.00 24.01 H new ATOM 0 HG23 ILE A 12 7.030 -1.602 -21.092 1.00 24.01 H new ATOM 0 HD11 ILE A 12 6.840 0.666 -24.487 1.00 3.41 H new ATOM 0 HD12 ILE A 12 5.537 1.119 -23.363 1.00 3.41 H new ATOM 0 HD13 ILE A 12 7.109 0.575 -22.730 1.00 3.41 H new ATOM 199 N GLU A 13 6.940 -3.916 -21.388 1.00 70.22 N ATOM 200 CA GLU A 13 8.199 -4.646 -21.483 1.00 35.50 C ATOM 201 C GLU A 13 7.949 -6.148 -21.598 1.00 43.40 C ATOM 202 O GLU A 13 8.779 -6.886 -22.127 1.00 60.35 O ATOM 203 CB GLU A 13 9.075 -4.356 -20.263 1.00 65.02 C ATOM 204 CG GLU A 13 10.515 -4.019 -20.615 1.00 13.33 C ATOM 205 CD GLU A 13 11.412 -3.950 -19.395 1.00 4.34 C ATOM 206 OE1 GLU A 13 10.878 -3.923 -18.266 1.00 73.52 O ATOM 207 OE2 GLU A 13 12.649 -3.922 -19.568 1.00 13.44 O ATOM 0 H GLU A 13 6.698 -3.613 -20.445 1.00 70.22 H new ATOM 0 HA GLU A 13 8.717 -4.311 -22.381 1.00 35.50 H new ATOM 0 HB2 GLU A 13 8.642 -3.526 -19.704 1.00 65.02 H new ATOM 0 HB3 GLU A 13 9.064 -5.224 -19.604 1.00 65.02 H new ATOM 0 HG2 GLU A 13 10.902 -4.770 -21.304 1.00 13.33 H new ATOM 0 HG3 GLU A 13 10.543 -3.062 -21.137 1.00 13.33 H new ATOM 214 N MET A 14 6.801 -6.591 -21.098 1.00 14.34 N ATOM 215 CA MET A 14 6.441 -8.003 -21.145 1.00 24.34 C ATOM 216 C MET A 14 6.076 -8.424 -22.565 1.00 23.55 C ATOM 217 O MET A 14 6.732 -9.282 -23.156 1.00 42.25 O ATOM 218 CB MET A 14 5.272 -8.286 -20.200 1.00 11.13 C ATOM 219 CG MET A 14 4.978 -9.767 -20.023 1.00 14.43 C ATOM 220 SD MET A 14 6.108 -10.566 -18.868 1.00 64.32 S ATOM 221 CE MET A 14 7.062 -11.592 -19.984 1.00 63.23 C ATOM 0 H MET A 14 6.104 -5.993 -20.655 1.00 14.34 H new ATOM 0 HA MET A 14 7.306 -8.583 -20.824 1.00 24.34 H new ATOM 0 HB2 MET A 14 5.489 -7.848 -19.226 1.00 11.13 H new ATOM 0 HB3 MET A 14 4.379 -7.790 -20.581 1.00 11.13 H new ATOM 0 HG2 MET A 14 3.955 -9.890 -19.668 1.00 14.43 H new ATOM 0 HG3 MET A 14 5.042 -10.264 -20.991 1.00 14.43 H new ATOM 0 HE1 MET A 14 7.035 -12.626 -19.640 1.00 63.23 H new ATOM 0 HE2 MET A 14 6.638 -11.532 -20.986 1.00 63.23 H new ATOM 0 HE3 MET A 14 8.095 -11.244 -20.005 1.00 63.23 H new ATOM 231 N VAL A 15 5.025 -7.816 -23.106 1.00 24.43 N ATOM 232 CA VAL A 15 4.574 -8.128 -24.457 1.00 13.05 C ATOM 233 C VAL A 15 5.696 -7.932 -25.470 1.00 74.10 C ATOM 234 O VAL A 15 5.690 -8.536 -26.542 1.00 72.11 O ATOM 235 CB VAL A 15 3.372 -7.254 -24.862 1.00 40.01 C ATOM 236 CG1 VAL A 15 2.945 -7.562 -26.289 1.00 42.22 C ATOM 237 CG2 VAL A 15 2.215 -7.458 -23.895 1.00 43.53 C ATOM 0 H VAL A 15 4.470 -7.105 -22.630 1.00 24.43 H new ATOM 0 HA VAL A 15 4.269 -9.175 -24.456 1.00 13.05 H new ATOM 0 HB VAL A 15 3.674 -6.208 -24.816 1.00 40.01 H new ATOM 0 HG11 VAL A 15 2.095 -6.935 -26.558 1.00 42.22 H new ATOM 0 HG12 VAL A 15 3.773 -7.360 -26.968 1.00 42.22 H new ATOM 0 HG13 VAL A 15 2.660 -8.611 -26.365 1.00 42.22 H new ATOM 0 HG21 VAL A 15 1.374 -6.833 -24.196 1.00 43.53 H new ATOM 0 HG22 VAL A 15 1.911 -8.505 -23.907 1.00 43.53 H new ATOM 0 HG23 VAL A 15 2.529 -7.183 -22.888 1.00 43.53 H new ATOM 247 N ALA A 16 6.658 -7.084 -25.123 1.00 11.23 N ATOM 248 CA ALA A 16 7.788 -6.810 -26.001 1.00 5.11 C ATOM 249 C ALA A 16 8.752 -7.991 -26.040 1.00 70.21 C ATOM 250 O ALA A 16 9.505 -8.157 -26.999 1.00 21.41 O ATOM 251 CB ALA A 16 8.513 -5.550 -25.551 1.00 42.00 C ATOM 0 H ALA A 16 6.677 -6.575 -24.239 1.00 11.23 H new ATOM 0 HA ALA A 16 7.403 -6.655 -27.009 1.00 5.11 H new ATOM 0 HB1 ALA A 16 9.355 -5.358 -26.216 1.00 42.00 H new ATOM 0 HB2 ALA A 16 7.826 -4.704 -25.581 1.00 42.00 H new ATOM 0 HB3 ALA A 16 8.878 -5.684 -24.533 1.00 42.00 H new ATOM 257 N GLU A 17 8.722 -8.808 -24.992 1.00 25.23 N ATOM 258 CA GLU A 17 9.595 -9.973 -24.907 1.00 63.22 C ATOM 259 C GLU A 17 8.827 -11.253 -25.223 1.00 35.03 C ATOM 260 O GLU A 17 9.379 -12.202 -25.779 1.00 62.21 O ATOM 261 CB GLU A 17 10.219 -10.071 -23.514 1.00 4.54 C ATOM 262 CG GLU A 17 11.580 -10.747 -23.502 1.00 2.41 C ATOM 263 CD GLU A 17 12.317 -10.552 -22.191 1.00 42.41 C ATOM 264 OE1 GLU A 17 12.061 -9.536 -21.511 1.00 63.12 O ATOM 265 OE2 GLU A 17 13.150 -11.416 -21.845 1.00 42.35 O ATOM 0 H GLU A 17 8.103 -8.685 -24.191 1.00 25.23 H new ATOM 0 HA GLU A 17 10.388 -9.854 -25.645 1.00 63.22 H new ATOM 0 HB2 GLU A 17 10.317 -9.068 -23.098 1.00 4.54 H new ATOM 0 HB3 GLU A 17 9.543 -10.623 -22.860 1.00 4.54 H new ATOM 0 HG2 GLU A 17 11.453 -11.814 -23.688 1.00 2.41 H new ATOM 0 HG3 GLU A 17 12.185 -10.351 -24.317 1.00 2.41 H new ATOM 272 N LYS A 18 7.548 -11.272 -24.863 1.00 14.13 N ATOM 273 CA LYS A 18 6.701 -12.433 -25.107 1.00 34.31 C ATOM 274 C LYS A 18 6.741 -12.837 -26.577 1.00 52.44 C ATOM 275 O LYS A 18 7.029 -13.987 -26.908 1.00 64.53 O ATOM 276 CB LYS A 18 5.259 -12.136 -24.688 1.00 0.01 C ATOM 277 CG LYS A 18 4.341 -13.343 -24.770 1.00 14.04 C ATOM 278 CD LYS A 18 3.540 -13.348 -26.061 1.00 64.43 C ATOM 279 CE LYS A 18 2.155 -12.754 -25.861 1.00 51.41 C ATOM 280 NZ LYS A 18 2.167 -11.269 -25.973 1.00 42.22 N ATOM 0 H LYS A 18 7.075 -10.495 -24.401 1.00 14.13 H new ATOM 0 HA LYS A 18 7.083 -13.261 -24.510 1.00 34.31 H new ATOM 0 HB2 LYS A 18 5.257 -11.757 -23.666 1.00 0.01 H new ATOM 0 HB3 LYS A 18 4.861 -11.344 -25.322 1.00 0.01 H new ATOM 0 HG2 LYS A 18 4.933 -14.256 -24.704 1.00 14.04 H new ATOM 0 HG3 LYS A 18 3.660 -13.342 -23.919 1.00 14.04 H new ATOM 0 HD2 LYS A 18 4.074 -12.780 -26.823 1.00 64.43 H new ATOM 0 HD3 LYS A 18 3.449 -14.370 -26.430 1.00 64.43 H new ATOM 0 HE2 LYS A 18 1.472 -13.169 -26.602 1.00 51.41 H new ATOM 0 HE3 LYS A 18 1.775 -13.041 -24.881 1.00 51.41 H new ATOM 0 HZ1 LYS A 18 1.899 -10.850 -25.060 1.00 42.22 H new ATOM 0 HZ2 LYS A 18 3.121 -10.948 -26.235 1.00 42.22 H new ATOM 0 HZ3 LYS A 18 1.489 -10.970 -26.703 1.00 42.22 H new ATOM 294 N LEU A 19 6.451 -11.883 -27.456 1.00 3.03 N ATOM 295 CA LEU A 19 6.456 -12.139 -28.892 1.00 0.41 C ATOM 296 C LEU A 19 7.538 -11.318 -29.587 1.00 74.35 C ATOM 297 O LEU A 19 7.478 -11.092 -30.795 1.00 42.31 O ATOM 298 CB LEU A 19 5.087 -11.813 -29.492 1.00 44.34 C ATOM 299 CG LEU A 19 4.527 -12.836 -30.480 1.00 71.34 C ATOM 300 CD1 LEU A 19 5.570 -13.194 -31.527 1.00 61.35 C ATOM 301 CD2 LEU A 19 4.056 -14.083 -29.746 1.00 75.24 C ATOM 0 H LEU A 19 6.210 -10.926 -27.199 1.00 3.03 H new ATOM 0 HA LEU A 19 6.672 -13.196 -29.048 1.00 0.41 H new ATOM 0 HB2 LEU A 19 4.373 -11.697 -28.676 1.00 44.34 H new ATOM 0 HB3 LEU A 19 5.154 -10.849 -29.997 1.00 44.34 H new ATOM 0 HG LEU A 19 3.671 -12.392 -30.987 1.00 71.34 H new ATOM 0 HD11 LEU A 19 5.153 -13.923 -32.221 1.00 61.35 H new ATOM 0 HD12 LEU A 19 5.860 -12.297 -32.074 1.00 61.35 H new ATOM 0 HD13 LEU A 19 6.446 -13.619 -31.037 1.00 61.35 H new ATOM 0 HD21 LEU A 19 3.660 -14.801 -30.465 1.00 75.24 H new ATOM 0 HD22 LEU A 19 4.895 -14.529 -29.212 1.00 75.24 H new ATOM 0 HD23 LEU A 19 3.275 -13.814 -29.035 1.00 75.24 H new ATOM 313 N ASN A 20 8.526 -10.878 -28.816 1.00 44.55 N ATOM 314 CA ASN A 20 9.623 -10.084 -29.359 1.00 51.40 C ATOM 315 C ASN A 20 9.092 -8.892 -30.150 1.00 2.33 C ATOM 316 O ASN A 20 9.606 -8.564 -31.220 1.00 15.33 O ATOM 317 CB ASN A 20 10.512 -10.949 -30.254 1.00 42.34 C ATOM 318 CG ASN A 20 11.852 -10.298 -30.541 1.00 55.22 C ATOM 319 OD1 ASN A 20 12.593 -9.947 -29.623 1.00 51.12 O ATOM 320 ND2 ASN A 20 12.167 -10.133 -31.821 1.00 23.34 N ATOM 0 H ASN A 20 8.590 -11.057 -27.814 1.00 44.55 H new ATOM 0 HA ASN A 20 10.215 -9.709 -28.524 1.00 51.40 H new ATOM 0 HB2 ASN A 20 10.675 -11.914 -29.775 1.00 42.34 H new ATOM 0 HB3 ASN A 20 9.997 -11.143 -31.195 1.00 42.34 H new ATOM 0 HD21 ASN A 20 13.055 -9.700 -32.076 1.00 23.34 H new ATOM 0 HD22 ASN A 20 11.521 -10.440 -32.549 1.00 23.34 H new ATOM 327 N LYS A 21 8.061 -8.246 -29.615 1.00 61.14 N ATOM 328 CA LYS A 21 7.461 -7.089 -30.268 1.00 75.05 C ATOM 329 C LYS A 21 8.210 -5.811 -29.908 1.00 3.44 C ATOM 330 O LYS A 21 8.396 -5.500 -28.731 1.00 15.41 O ATOM 331 CB LYS A 21 5.989 -6.959 -29.870 1.00 33.51 C ATOM 332 CG LYS A 21 5.087 -6.513 -31.008 1.00 4.31 C ATOM 333 CD LYS A 21 4.407 -7.695 -31.677 1.00 52.23 C ATOM 334 CE LYS A 21 3.997 -7.367 -33.105 1.00 14.33 C ATOM 335 NZ LYS A 21 5.174 -7.066 -33.965 1.00 42.21 N ATOM 0 H LYS A 21 7.624 -8.505 -28.731 1.00 61.14 H new ATOM 0 HA LYS A 21 7.528 -7.237 -31.346 1.00 75.05 H new ATOM 0 HB2 LYS A 21 5.637 -7.920 -29.494 1.00 33.51 H new ATOM 0 HB3 LYS A 21 5.905 -6.246 -29.050 1.00 33.51 H new ATOM 0 HG2 LYS A 21 4.332 -5.826 -30.627 1.00 4.31 H new ATOM 0 HG3 LYS A 21 5.674 -5.965 -31.745 1.00 4.31 H new ATOM 0 HD2 LYS A 21 5.082 -8.551 -31.679 1.00 52.23 H new ATOM 0 HD3 LYS A 21 3.527 -7.983 -31.102 1.00 52.23 H new ATOM 0 HE2 LYS A 21 3.445 -8.207 -33.526 1.00 14.33 H new ATOM 0 HE3 LYS A 21 3.322 -6.511 -33.101 1.00 14.33 H new ATOM 0 HZ1 LYS A 21 4.848 -6.733 -34.895 1.00 42.21 H new ATOM 0 HZ2 LYS A 21 5.752 -6.327 -33.516 1.00 42.21 H new ATOM 0 HZ3 LYS A 21 5.745 -7.927 -34.086 1.00 42.21 H new ATOM 349 N ASP A 22 8.638 -5.073 -30.927 1.00 33.44 N ATOM 350 CA ASP A 22 9.365 -3.827 -30.716 1.00 41.05 C ATOM 351 C ASP A 22 8.535 -2.845 -29.895 1.00 22.41 C ATOM 352 O ASP A 22 7.305 -2.857 -29.950 1.00 43.02 O ATOM 353 CB ASP A 22 9.740 -3.198 -32.059 1.00 41.22 C ATOM 354 CG ASP A 22 11.039 -2.419 -31.991 1.00 11.21 C ATOM 355 OD1 ASP A 22 12.050 -2.990 -31.532 1.00 34.51 O ATOM 356 OD2 ASP A 22 11.044 -1.237 -32.396 1.00 24.23 O ATOM 0 H ASP A 22 8.494 -5.316 -31.907 1.00 33.44 H new ATOM 0 HA ASP A 22 10.276 -4.056 -30.163 1.00 41.05 H new ATOM 0 HB2 ASP A 22 9.829 -3.981 -32.812 1.00 41.22 H new ATOM 0 HB3 ASP A 22 8.938 -2.534 -32.383 1.00 41.22 H new ATOM 361 N LYS A 23 9.216 -1.997 -29.132 1.00 31.01 N ATOM 362 CA LYS A 23 8.543 -1.008 -28.298 1.00 61.01 C ATOM 363 C LYS A 23 7.674 -0.083 -29.145 1.00 24.13 C ATOM 364 O LYS A 23 6.699 0.486 -28.657 1.00 12.35 O ATOM 365 CB LYS A 23 9.570 -0.186 -27.516 1.00 63.13 C ATOM 366 CG LYS A 23 10.603 0.495 -28.398 1.00 74.11 C ATOM 367 CD LYS A 23 11.844 0.879 -27.610 1.00 35.35 C ATOM 368 CE LYS A 23 11.606 2.122 -26.767 1.00 11.42 C ATOM 369 NZ LYS A 23 11.430 3.338 -27.609 1.00 71.21 N ATOM 0 H LYS A 23 10.234 -1.975 -29.074 1.00 31.01 H new ATOM 0 HA LYS A 23 7.901 -1.539 -27.595 1.00 61.01 H new ATOM 0 HB2 LYS A 23 9.048 0.571 -26.931 1.00 63.13 H new ATOM 0 HB3 LYS A 23 10.082 -0.838 -26.808 1.00 63.13 H new ATOM 0 HG2 LYS A 23 10.881 -0.171 -29.215 1.00 74.11 H new ATOM 0 HG3 LYS A 23 10.167 1.387 -28.849 1.00 74.11 H new ATOM 0 HD2 LYS A 23 12.137 0.051 -26.965 1.00 35.35 H new ATOM 0 HD3 LYS A 23 12.672 1.057 -28.297 1.00 35.35 H new ATOM 0 HE2 LYS A 23 10.720 1.977 -26.149 1.00 11.42 H new ATOM 0 HE3 LYS A 23 12.447 2.268 -26.090 1.00 11.42 H new ATOM 0 HZ1 LYS A 23 11.575 4.187 -27.027 1.00 71.21 H new ATOM 0 HZ2 LYS A 23 12.124 3.327 -28.384 1.00 71.21 H new ATOM 0 HZ3 LYS A 23 10.469 3.350 -28.005 1.00 71.21 H new ATOM 383 N ALA A 24 8.035 0.060 -30.416 1.00 11.42 N ATOM 384 CA ALA A 24 7.286 0.913 -31.331 1.00 1.14 C ATOM 385 C ALA A 24 6.065 0.186 -31.884 1.00 23.20 C ATOM 386 O ALA A 24 5.313 0.739 -32.687 1.00 31.13 O ATOM 387 CB ALA A 24 8.182 1.384 -32.466 1.00 63.24 C ATOM 0 H ALA A 24 8.841 -0.404 -30.835 1.00 11.42 H new ATOM 0 HA ALA A 24 6.937 1.783 -30.774 1.00 1.14 H new ATOM 0 HB1 ALA A 24 7.610 2.020 -33.141 1.00 63.24 H new ATOM 0 HB2 ALA A 24 9.020 1.950 -32.058 1.00 63.24 H new ATOM 0 HB3 ALA A 24 8.560 0.521 -33.014 1.00 63.24 H new ATOM 393 N ILE A 25 5.875 -1.056 -31.451 1.00 5.22 N ATOM 394 CA ILE A 25 4.746 -1.858 -31.903 1.00 55.23 C ATOM 395 C ILE A 25 3.824 -2.214 -30.742 1.00 21.24 C ATOM 396 O ILE A 25 2.650 -2.526 -30.941 1.00 14.20 O ATOM 397 CB ILE A 25 5.214 -3.155 -32.589 1.00 4.15 C ATOM 398 CG1 ILE A 25 6.097 -2.830 -33.796 1.00 14.34 C ATOM 399 CG2 ILE A 25 4.017 -3.993 -33.011 1.00 62.22 C ATOM 400 CD1 ILE A 25 7.241 -3.800 -33.986 1.00 63.03 C ATOM 0 H ILE A 25 6.489 -1.528 -30.787 1.00 5.22 H new ATOM 0 HA ILE A 25 4.199 -1.252 -32.625 1.00 55.23 H new ATOM 0 HB ILE A 25 5.804 -3.733 -31.877 1.00 4.15 H new ATOM 0 HG12 ILE A 25 5.482 -2.826 -34.696 1.00 14.34 H new ATOM 0 HG13 ILE A 25 6.500 -1.824 -33.681 1.00 14.34 H new ATOM 0 HG21 ILE A 25 4.364 -4.906 -33.494 1.00 62.22 H new ATOM 0 HG22 ILE A 25 3.425 -4.250 -32.133 1.00 62.22 H new ATOM 0 HG23 ILE A 25 3.403 -3.424 -33.709 1.00 62.22 H new ATOM 0 HD11 ILE A 25 7.824 -3.508 -34.859 1.00 63.03 H new ATOM 0 HD12 ILE A 25 7.879 -3.787 -33.103 1.00 63.03 H new ATOM 0 HD13 ILE A 25 6.845 -4.805 -34.133 1.00 63.03 H new ATOM 412 N ILE A 26 4.364 -2.164 -29.529 1.00 21.34 N ATOM 413 CA ILE A 26 3.590 -2.479 -28.335 1.00 35.03 C ATOM 414 C ILE A 26 2.276 -1.705 -28.312 1.00 32.21 C ATOM 415 O ILE A 26 2.267 -0.475 -28.247 1.00 21.43 O ATOM 416 CB ILE A 26 4.380 -2.164 -27.051 1.00 43.33 C ATOM 417 CG1 ILE A 26 5.676 -2.976 -27.012 1.00 21.41 C ATOM 418 CG2 ILE A 26 3.531 -2.451 -25.822 1.00 2.30 C ATOM 419 CD1 ILE A 26 5.451 -4.465 -26.865 1.00 65.03 C ATOM 0 H ILE A 26 5.335 -1.908 -29.347 1.00 21.34 H new ATOM 0 HA ILE A 26 3.380 -3.548 -28.369 1.00 35.03 H new ATOM 0 HB ILE A 26 4.637 -1.105 -27.051 1.00 43.33 H new ATOM 0 HG12 ILE A 26 6.239 -2.790 -27.926 1.00 21.41 H new ATOM 0 HG13 ILE A 26 6.290 -2.626 -26.182 1.00 21.41 H new ATOM 0 HG21 ILE A 26 4.104 -2.223 -24.923 1.00 2.30 H new ATOM 0 HG22 ILE A 26 2.634 -1.833 -25.847 1.00 2.30 H new ATOM 0 HG23 ILE A 26 3.246 -3.503 -25.814 1.00 2.30 H new ATOM 0 HD11 ILE A 26 6.413 -4.978 -26.845 1.00 65.03 H new ATOM 0 HD12 ILE A 26 4.915 -4.662 -25.937 1.00 65.03 H new ATOM 0 HD13 ILE A 26 4.863 -4.829 -27.708 1.00 65.03 H new ATOM 431 N THR A 27 1.165 -2.434 -28.364 1.00 50.24 N ATOM 432 CA THR A 27 -0.155 -1.817 -28.349 1.00 53.22 C ATOM 433 C THR A 27 -1.137 -2.640 -27.523 1.00 53.33 C ATOM 434 O THR A 27 -0.922 -3.829 -27.287 1.00 34.13 O ATOM 435 CB THR A 27 -0.714 -1.651 -29.775 1.00 13.31 C ATOM 436 OG1 THR A 27 -0.348 -2.778 -30.579 1.00 13.30 O ATOM 437 CG2 THR A 27 -0.192 -0.373 -30.415 1.00 73.54 C ATOM 0 H THR A 27 1.154 -3.453 -28.417 1.00 50.24 H new ATOM 0 HA THR A 27 -0.039 -0.833 -27.896 1.00 53.22 H new ATOM 0 HB THR A 27 -1.800 -1.589 -29.711 1.00 13.31 H new ATOM 0 HG1 THR A 27 0.603 -2.721 -30.808 1.00 13.30 H new ATOM 0 HG21 THR A 27 -0.600 -0.277 -31.421 1.00 73.54 H new ATOM 0 HG22 THR A 27 -0.498 0.485 -29.816 1.00 73.54 H new ATOM 0 HG23 THR A 27 0.896 -0.410 -30.467 1.00 73.54 H new ATOM 445 N THR A 28 -2.218 -2.000 -27.086 1.00 43.22 N ATOM 446 CA THR A 28 -3.233 -2.673 -26.286 1.00 50.31 C ATOM 447 C THR A 28 -3.924 -3.772 -27.085 1.00 41.43 C ATOM 448 O THR A 28 -4.240 -4.835 -26.552 1.00 14.03 O ATOM 449 CB THR A 28 -4.295 -1.680 -25.775 1.00 64.25 C ATOM 450 OG1 THR A 28 -5.052 -1.164 -26.876 1.00 33.34 O ATOM 451 CG2 THR A 28 -3.643 -0.532 -25.019 1.00 61.33 C ATOM 0 H THR A 28 -2.412 -1.016 -27.273 1.00 43.22 H new ATOM 0 HA THR A 28 -2.720 -3.116 -25.433 1.00 50.31 H new ATOM 0 HB THR A 28 -4.960 -2.211 -25.094 1.00 64.25 H new ATOM 0 HG1 THR A 28 -5.726 -0.535 -26.543 1.00 33.34 H new ATOM 0 HG21 THR A 28 -4.412 0.156 -24.668 1.00 61.33 H new ATOM 0 HG22 THR A 28 -3.091 -0.925 -24.165 1.00 61.33 H new ATOM 0 HG23 THR A 28 -2.958 -0.003 -25.681 1.00 61.33 H new ATOM 459 N ASP A 29 -4.155 -3.509 -28.367 1.00 5.51 N ATOM 460 CA ASP A 29 -4.807 -4.477 -29.241 1.00 2.22 C ATOM 461 C ASP A 29 -3.785 -5.189 -30.121 1.00 23.30 C ATOM 462 O ASP A 29 -4.097 -5.614 -31.233 1.00 53.34 O ATOM 463 CB ASP A 29 -5.855 -3.784 -30.113 1.00 45.32 C ATOM 464 CG ASP A 29 -6.906 -4.746 -30.630 1.00 12.24 C ATOM 465 OD1 ASP A 29 -6.664 -5.970 -30.584 1.00 5.22 O ATOM 466 OD2 ASP A 29 -7.972 -4.275 -31.080 1.00 44.13 O ATOM 0 H ASP A 29 -3.900 -2.633 -28.824 1.00 5.51 H new ATOM 0 HA ASP A 29 -5.301 -5.220 -28.615 1.00 2.22 H new ATOM 0 HB2 ASP A 29 -6.340 -2.996 -29.536 1.00 45.32 H new ATOM 0 HB3 ASP A 29 -5.361 -3.303 -30.957 1.00 45.32 H new ATOM 471 N SER A 30 -2.562 -5.316 -29.615 1.00 41.15 N ATOM 472 CA SER A 30 -1.492 -5.973 -30.358 1.00 11.54 C ATOM 473 C SER A 30 -1.940 -7.342 -30.859 1.00 53.25 C ATOM 474 O SER A 30 -2.157 -8.263 -30.072 1.00 70.22 O ATOM 475 CB SER A 30 -0.249 -6.121 -29.478 1.00 51.11 C ATOM 476 OG SER A 30 -0.493 -7.003 -28.396 1.00 5.53 O ATOM 0 H SER A 30 -2.288 -4.973 -28.694 1.00 41.15 H new ATOM 0 HA SER A 30 -1.247 -5.353 -31.220 1.00 11.54 H new ATOM 0 HB2 SER A 30 0.582 -6.495 -30.076 1.00 51.11 H new ATOM 0 HB3 SER A 30 0.048 -5.145 -29.096 1.00 51.11 H new ATOM 0 HG SER A 30 -1.127 -7.696 -28.676 1.00 5.53 H new ATOM 482 N ARG A 31 -2.077 -7.467 -32.175 1.00 51.15 N ATOM 483 CA ARG A 31 -2.501 -8.722 -32.784 1.00 24.54 C ATOM 484 C ARG A 31 -1.325 -9.423 -33.459 1.00 73.10 C ATOM 485 O ARG A 31 -1.417 -9.839 -34.614 1.00 53.43 O ATOM 486 CB ARG A 31 -3.612 -8.470 -33.804 1.00 33.22 C ATOM 487 CG ARG A 31 -4.986 -8.296 -33.177 1.00 30.00 C ATOM 488 CD ARG A 31 -6.093 -8.686 -34.144 1.00 11.40 C ATOM 489 NE ARG A 31 -7.384 -8.820 -33.473 1.00 45.44 N ATOM 490 CZ ARG A 31 -8.107 -7.786 -33.059 1.00 53.43 C ATOM 491 NH1 ARG A 31 -7.669 -6.548 -33.246 1.00 75.24 N ATOM 492 NH2 ARG A 31 -9.272 -7.988 -32.457 1.00 31.41 N ATOM 0 H ARG A 31 -1.900 -6.714 -32.840 1.00 51.15 H new ATOM 0 HA ARG A 31 -2.883 -9.369 -31.994 1.00 24.54 H new ATOM 0 HB2 ARG A 31 -3.369 -7.577 -34.380 1.00 33.22 H new ATOM 0 HB3 ARG A 31 -3.645 -9.303 -34.506 1.00 33.22 H new ATOM 0 HG2 ARG A 31 -5.056 -8.906 -32.277 1.00 30.00 H new ATOM 0 HG3 ARG A 31 -5.118 -7.259 -32.870 1.00 30.00 H new ATOM 0 HD2 ARG A 31 -6.169 -7.935 -34.930 1.00 11.40 H new ATOM 0 HD3 ARG A 31 -5.836 -9.628 -34.628 1.00 11.40 H new ATOM 0 HE ARG A 31 -7.750 -9.759 -33.314 1.00 45.44 H new ATOM 0 HH11 ARG A 31 -6.774 -6.388 -33.709 1.00 75.24 H new ATOM 0 HH12 ARG A 31 -8.227 -5.756 -32.927 1.00 75.24 H new ATOM 0 HH21 ARG A 31 -9.613 -8.938 -32.312 1.00 31.41 H new ATOM 0 HH22 ARG A 31 -9.827 -7.193 -32.139 1.00 31.41 H new ATOM 506 N PHE A 32 -0.221 -9.550 -32.731 1.00 30.13 N ATOM 507 CA PHE A 32 0.973 -10.199 -33.259 1.00 42.15 C ATOM 508 C PHE A 32 0.628 -11.549 -33.881 1.00 45.14 C ATOM 509 O PHE A 32 1.248 -11.970 -34.859 1.00 21.34 O ATOM 510 CB PHE A 32 2.011 -10.385 -32.151 1.00 22.40 C ATOM 511 CG PHE A 32 1.423 -10.855 -30.852 1.00 33.55 C ATOM 512 CD1 PHE A 32 1.113 -12.192 -30.659 1.00 61.34 C ATOM 513 CD2 PHE A 32 1.180 -9.961 -29.822 1.00 14.21 C ATOM 514 CE1 PHE A 32 0.571 -12.627 -29.465 1.00 32.21 C ATOM 515 CE2 PHE A 32 0.638 -10.390 -28.625 1.00 12.11 C ATOM 516 CZ PHE A 32 0.334 -11.725 -28.446 1.00 70.20 C ATOM 0 H PHE A 32 -0.128 -9.212 -31.773 1.00 30.13 H new ATOM 0 HA PHE A 32 1.392 -9.558 -34.035 1.00 42.15 H new ATOM 0 HB2 PHE A 32 2.760 -11.104 -32.483 1.00 22.40 H new ATOM 0 HB3 PHE A 32 2.528 -9.440 -31.986 1.00 22.40 H new ATOM 0 HD1 PHE A 32 1.297 -12.902 -31.451 1.00 61.34 H new ATOM 0 HD2 PHE A 32 1.417 -8.916 -29.956 1.00 14.21 H new ATOM 0 HE1 PHE A 32 0.333 -13.672 -29.328 1.00 32.21 H new ATOM 0 HE2 PHE A 32 0.453 -9.682 -27.831 1.00 12.11 H new ATOM 0 HZ PHE A 32 -0.088 -12.063 -27.511 1.00 70.20 H new ATOM 526 N ILE A 33 -0.363 -12.222 -33.308 1.00 12.13 N ATOM 527 CA ILE A 33 -0.791 -13.523 -33.805 1.00 63.54 C ATOM 528 C ILE A 33 -1.150 -13.455 -35.286 1.00 10.12 C ATOM 529 O ILE A 33 -0.775 -14.329 -36.066 1.00 64.03 O ATOM 530 CB ILE A 33 -2.003 -14.057 -33.019 1.00 3.42 C ATOM 531 CG1 ILE A 33 -2.478 -15.386 -33.610 1.00 5.40 C ATOM 532 CG2 ILE A 33 -3.130 -13.035 -33.026 1.00 2.24 C ATOM 533 CD1 ILE A 33 -1.402 -16.449 -33.647 1.00 52.13 C ATOM 0 H ILE A 33 -0.885 -11.887 -32.498 1.00 12.13 H new ATOM 0 HA ILE A 33 0.049 -14.204 -33.667 1.00 63.54 H new ATOM 0 HB ILE A 33 -1.700 -14.229 -31.986 1.00 3.42 H new ATOM 0 HG12 ILE A 33 -3.321 -15.754 -33.025 1.00 5.40 H new ATOM 0 HG13 ILE A 33 -2.843 -15.214 -34.623 1.00 5.40 H new ATOM 0 HG21 ILE A 33 -3.980 -13.427 -32.467 1.00 2.24 H new ATOM 0 HG22 ILE A 33 -2.786 -12.110 -32.563 1.00 2.24 H new ATOM 0 HG23 ILE A 33 -3.433 -12.835 -34.054 1.00 2.24 H new ATOM 0 HD11 ILE A 33 -1.809 -17.364 -34.078 1.00 52.13 H new ATOM 0 HD12 ILE A 33 -0.568 -16.101 -34.256 1.00 52.13 H new ATOM 0 HD13 ILE A 33 -1.053 -16.649 -32.634 1.00 52.13 H new ATOM 545 N GLU A 34 -1.878 -12.409 -35.665 1.00 20.12 N ATOM 546 CA GLU A 34 -2.287 -12.226 -37.053 1.00 22.45 C ATOM 547 C GLU A 34 -1.262 -11.393 -37.817 1.00 24.25 C ATOM 548 O GLU A 34 -0.721 -11.833 -38.832 1.00 14.52 O ATOM 549 CB GLU A 34 -3.659 -11.553 -37.119 1.00 10.22 C ATOM 550 CG GLU A 34 -4.805 -12.464 -36.711 1.00 44.10 C ATOM 551 CD GLU A 34 -5.146 -13.485 -37.779 1.00 13.02 C ATOM 552 OE1 GLU A 34 -4.547 -14.580 -37.767 1.00 21.23 O ATOM 553 OE2 GLU A 34 -6.014 -13.188 -38.627 1.00 32.05 O ATOM 0 H GLU A 34 -2.196 -11.676 -35.031 1.00 20.12 H new ATOM 0 HA GLU A 34 -2.350 -13.209 -37.519 1.00 22.45 H new ATOM 0 HB2 GLU A 34 -3.655 -10.676 -36.472 1.00 10.22 H new ATOM 0 HB3 GLU A 34 -3.832 -11.199 -38.135 1.00 10.22 H new ATOM 0 HG2 GLU A 34 -4.542 -12.982 -35.789 1.00 44.10 H new ATOM 0 HG3 GLU A 34 -5.686 -11.860 -36.497 1.00 44.10 H new ATOM 560 N ASP A 35 -1.000 -10.189 -37.321 1.00 43.22 N ATOM 561 CA ASP A 35 -0.040 -9.293 -37.956 1.00 25.32 C ATOM 562 C ASP A 35 1.297 -9.996 -38.173 1.00 41.32 C ATOM 563 O ASP A 35 1.802 -10.059 -39.295 1.00 3.41 O ATOM 564 CB ASP A 35 0.162 -8.040 -37.103 1.00 52.30 C ATOM 565 CG ASP A 35 0.709 -6.875 -37.905 1.00 74.44 C ATOM 566 OD1 ASP A 35 -0.076 -6.241 -38.642 1.00 32.33 O ATOM 567 OD2 ASP A 35 1.921 -6.598 -37.796 1.00 50.43 O ATOM 0 H ASP A 35 -1.439 -9.811 -36.481 1.00 43.22 H new ATOM 0 HA ASP A 35 -0.440 -9.001 -38.927 1.00 25.32 H new ATOM 0 HB2 ASP A 35 -0.789 -7.753 -36.653 1.00 52.30 H new ATOM 0 HB3 ASP A 35 0.846 -8.267 -36.285 1.00 52.30 H new ATOM 572 N LEU A 36 1.866 -10.522 -37.094 1.00 14.41 N ATOM 573 CA LEU A 36 3.145 -11.219 -37.166 1.00 31.11 C ATOM 574 C LEU A 36 2.956 -12.655 -37.645 1.00 41.33 C ATOM 575 O LEU A 36 3.926 -13.366 -37.908 1.00 22.03 O ATOM 576 CB LEU A 36 3.830 -11.212 -35.798 1.00 53.11 C ATOM 577 CG LEU A 36 5.288 -10.751 -35.780 1.00 35.02 C ATOM 578 CD1 LEU A 36 5.409 -9.341 -36.337 1.00 33.12 C ATOM 579 CD2 LEU A 36 5.851 -10.819 -34.368 1.00 14.33 C ATOM 0 H LEU A 36 1.462 -10.479 -36.159 1.00 14.41 H new ATOM 0 HA LEU A 36 3.776 -10.696 -37.884 1.00 31.11 H new ATOM 0 HB2 LEU A 36 3.258 -10.568 -35.131 1.00 53.11 H new ATOM 0 HB3 LEU A 36 3.783 -12.220 -35.385 1.00 53.11 H new ATOM 0 HG LEU A 36 5.869 -11.421 -36.414 1.00 35.02 H new ATOM 0 HD11 LEU A 36 6.453 -9.030 -36.316 1.00 33.12 H new ATOM 0 HD12 LEU A 36 5.045 -9.323 -37.364 1.00 33.12 H new ATOM 0 HD13 LEU A 36 4.815 -8.658 -35.730 1.00 33.12 H new ATOM 0 HD21 LEU A 36 6.889 -10.487 -34.374 1.00 14.33 H new ATOM 0 HD22 LEU A 36 5.267 -10.173 -33.712 1.00 14.33 H new ATOM 0 HD23 LEU A 36 5.800 -11.846 -34.005 1.00 14.33 H new ATOM 591 N LYS A 37 1.701 -13.075 -37.760 1.00 13.53 N ATOM 592 CA LYS A 37 1.383 -14.424 -38.211 1.00 72.11 C ATOM 593 C LYS A 37 2.159 -15.463 -37.409 1.00 23.23 C ATOM 594 O LYS A 37 2.850 -16.309 -37.976 1.00 20.45 O ATOM 595 CB LYS A 37 1.699 -14.574 -39.701 1.00 5.52 C ATOM 596 CG LYS A 37 1.119 -15.832 -40.323 1.00 1.22 C ATOM 597 CD LYS A 37 -0.399 -15.789 -40.354 1.00 75.01 C ATOM 598 CE LYS A 37 -0.907 -14.664 -41.243 1.00 72.43 C ATOM 599 NZ LYS A 37 -2.378 -14.749 -41.459 1.00 13.43 N ATOM 0 H LYS A 37 0.886 -12.499 -37.547 1.00 13.53 H new ATOM 0 HA LYS A 37 0.317 -14.591 -38.053 1.00 72.11 H new ATOM 0 HB2 LYS A 37 1.314 -13.705 -40.234 1.00 5.52 H new ATOM 0 HB3 LYS A 37 2.781 -14.578 -39.836 1.00 5.52 H new ATOM 0 HG2 LYS A 37 1.501 -15.947 -41.337 1.00 1.22 H new ATOM 0 HG3 LYS A 37 1.448 -16.704 -39.757 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -0.784 -16.742 -40.716 1.00 75.01 H new ATOM 0 HD3 LYS A 37 -0.781 -15.655 -39.342 1.00 75.01 H new ATOM 0 HE2 LYS A 37 -0.661 -13.704 -40.790 1.00 72.43 H new ATOM 0 HE3 LYS A 37 -0.396 -14.702 -42.205 1.00 72.43 H new ATOM 0 HZ1 LYS A 37 -2.685 -13.965 -42.070 1.00 13.43 H new ATOM 0 HZ2 LYS A 37 -2.610 -15.654 -41.915 1.00 13.43 H new ATOM 0 HZ3 LYS A 37 -2.867 -14.687 -40.543 1.00 13.43 H new ATOM 613 N ALA A 38 2.040 -15.394 -36.087 1.00 12.21 N ATOM 614 CA ALA A 38 2.728 -16.331 -35.208 1.00 12.15 C ATOM 615 C ALA A 38 2.215 -17.752 -35.411 1.00 60.52 C ATOM 616 O ALA A 38 1.007 -17.989 -35.436 1.00 22.45 O ATOM 617 CB ALA A 38 2.561 -15.911 -33.755 1.00 0.33 C ATOM 0 H ALA A 38 1.473 -14.699 -35.601 1.00 12.21 H new ATOM 0 HA ALA A 38 3.788 -16.316 -35.460 1.00 12.15 H new ATOM 0 HB1 ALA A 38 3.080 -16.620 -33.109 1.00 0.33 H new ATOM 0 HB2 ALA A 38 2.982 -14.916 -33.613 1.00 0.33 H new ATOM 0 HB3 ALA A 38 1.501 -15.896 -33.500 1.00 0.33 H new ATOM 623 N ASP A 39 3.140 -18.695 -35.558 1.00 1.51 N ATOM 624 CA ASP A 39 2.781 -20.094 -35.759 1.00 43.44 C ATOM 625 C ASP A 39 1.884 -20.593 -34.631 1.00 5.43 C ATOM 626 O ASP A 39 1.610 -19.866 -33.676 1.00 32.35 O ATOM 627 CB ASP A 39 4.040 -20.958 -35.847 1.00 43.40 C ATOM 628 CG ASP A 39 5.012 -20.460 -36.899 1.00 10.21 C ATOM 629 OD1 ASP A 39 4.627 -19.575 -37.692 1.00 12.34 O ATOM 630 OD2 ASP A 39 6.158 -20.955 -36.929 1.00 10.41 O ATOM 0 H ASP A 39 4.144 -18.516 -35.542 1.00 1.51 H new ATOM 0 HA ASP A 39 2.231 -20.171 -36.697 1.00 43.44 H new ATOM 0 HB2 ASP A 39 4.536 -20.972 -34.876 1.00 43.40 H new ATOM 0 HB3 ASP A 39 3.757 -21.985 -36.076 1.00 43.40 H new ATOM 635 N SER A 40 1.430 -21.836 -34.748 1.00 64.33 N ATOM 636 CA SER A 40 0.560 -22.431 -33.740 1.00 44.14 C ATOM 637 C SER A 40 1.380 -23.080 -32.630 1.00 24.42 C ATOM 638 O SER A 40 1.043 -22.975 -31.450 1.00 10.32 O ATOM 639 CB SER A 40 -0.363 -23.469 -34.381 1.00 52.54 C ATOM 640 OG SER A 40 -1.251 -24.021 -33.425 1.00 61.20 O ATOM 0 H SER A 40 1.650 -22.451 -35.531 1.00 64.33 H new ATOM 0 HA SER A 40 -0.046 -21.637 -33.304 1.00 44.14 H new ATOM 0 HB2 SER A 40 -0.933 -23.006 -35.186 1.00 52.54 H new ATOM 0 HB3 SER A 40 0.234 -24.264 -34.829 1.00 52.54 H new ATOM 0 HG SER A 40 -1.831 -24.680 -33.860 1.00 61.20 H new ATOM 646 N LEU A 41 2.459 -23.753 -33.016 1.00 2.44 N ATOM 647 CA LEU A 41 3.329 -24.420 -32.054 1.00 23.33 C ATOM 648 C LEU A 41 4.305 -23.431 -31.424 1.00 63.43 C ATOM 649 O LEU A 41 4.971 -23.744 -30.437 1.00 61.10 O ATOM 650 CB LEU A 41 4.101 -25.553 -32.734 1.00 55.41 C ATOM 651 CG LEU A 41 4.541 -25.293 -34.175 1.00 61.32 C ATOM 652 CD1 LEU A 41 5.294 -23.976 -34.274 1.00 40.23 C ATOM 653 CD2 LEU A 41 5.401 -26.441 -34.685 1.00 0.23 C ATOM 0 H LEU A 41 2.752 -23.851 -33.988 1.00 2.44 H new ATOM 0 HA LEU A 41 2.703 -24.837 -31.265 1.00 23.33 H new ATOM 0 HB2 LEU A 41 4.987 -25.771 -32.138 1.00 55.41 H new ATOM 0 HB3 LEU A 41 3.480 -26.449 -32.721 1.00 55.41 H new ATOM 0 HG LEU A 41 3.651 -25.226 -34.800 1.00 61.32 H new ATOM 0 HD11 LEU A 41 5.599 -23.808 -35.307 1.00 40.23 H new ATOM 0 HD12 LEU A 41 4.646 -23.161 -33.950 1.00 40.23 H new ATOM 0 HD13 LEU A 41 6.177 -24.013 -33.636 1.00 40.23 H new ATOM 0 HD21 LEU A 41 5.705 -26.239 -35.712 1.00 0.23 H new ATOM 0 HD22 LEU A 41 6.286 -26.539 -34.057 1.00 0.23 H new ATOM 0 HD23 LEU A 41 4.828 -27.368 -34.652 1.00 0.23 H new ATOM 665 N ASP A 42 4.383 -22.237 -32.001 1.00 23.13 N ATOM 666 CA ASP A 42 5.275 -21.201 -31.494 1.00 43.43 C ATOM 667 C ASP A 42 4.632 -20.450 -30.332 1.00 61.14 C ATOM 668 O ASP A 42 5.288 -20.147 -29.335 1.00 32.31 O ATOM 669 CB ASP A 42 5.640 -20.221 -32.611 1.00 74.11 C ATOM 670 CG ASP A 42 6.655 -20.798 -33.578 1.00 53.55 C ATOM 671 OD1 ASP A 42 7.153 -21.914 -33.321 1.00 55.13 O ATOM 672 OD2 ASP A 42 6.951 -20.133 -34.593 1.00 53.31 O ATOM 0 H ASP A 42 3.840 -21.963 -32.820 1.00 23.13 H new ATOM 0 HA ASP A 42 6.183 -21.683 -31.133 1.00 43.43 H new ATOM 0 HB2 ASP A 42 4.738 -19.945 -33.157 1.00 74.11 H new ATOM 0 HB3 ASP A 42 6.039 -19.307 -32.172 1.00 74.11 H new ATOM 677 N THR A 43 3.344 -20.151 -30.468 1.00 72.03 N ATOM 678 CA THR A 43 2.612 -19.434 -29.432 1.00 21.03 C ATOM 679 C THR A 43 2.828 -20.073 -28.065 1.00 35.14 C ATOM 680 O THR A 43 3.222 -19.403 -27.110 1.00 61.21 O ATOM 681 CB THR A 43 1.102 -19.394 -29.735 1.00 25.10 C ATOM 682 OG1 THR A 43 0.685 -20.638 -30.308 1.00 32.45 O ATOM 683 CG2 THR A 43 0.772 -18.255 -30.688 1.00 32.32 C ATOM 0 H THR A 43 2.786 -20.395 -31.286 1.00 72.03 H new ATOM 0 HA THR A 43 2.999 -18.415 -29.419 1.00 21.03 H new ATOM 0 HB THR A 43 0.569 -19.229 -28.798 1.00 25.10 H new ATOM 0 HG1 THR A 43 -0.276 -20.605 -30.497 1.00 32.45 H new ATOM 0 HG21 THR A 43 -0.300 -18.246 -30.888 1.00 32.32 H new ATOM 0 HG22 THR A 43 1.065 -17.307 -30.237 1.00 32.32 H new ATOM 0 HG23 THR A 43 1.314 -18.395 -31.623 1.00 32.32 H new ATOM 691 N VAL A 44 2.567 -21.374 -27.977 1.00 14.43 N ATOM 692 CA VAL A 44 2.734 -22.104 -26.726 1.00 32.00 C ATOM 693 C VAL A 44 4.105 -21.840 -26.114 1.00 40.33 C ATOM 694 O VAL A 44 4.262 -21.845 -24.894 1.00 21.21 O ATOM 695 CB VAL A 44 2.560 -23.620 -26.934 1.00 23.30 C ATOM 696 CG1 VAL A 44 1.202 -23.923 -27.548 1.00 61.21 C ATOM 697 CG2 VAL A 44 3.682 -24.170 -27.802 1.00 72.32 C ATOM 0 H VAL A 44 2.239 -21.943 -28.757 1.00 14.43 H new ATOM 0 HA VAL A 44 1.961 -21.747 -26.045 1.00 32.00 H new ATOM 0 HB VAL A 44 2.609 -24.111 -25.962 1.00 23.30 H new ATOM 0 HG11 VAL A 44 1.098 -24.999 -27.687 1.00 61.21 H new ATOM 0 HG12 VAL A 44 0.415 -23.565 -26.885 1.00 61.21 H new ATOM 0 HG13 VAL A 44 1.119 -23.422 -28.513 1.00 61.21 H new ATOM 0 HG21 VAL A 44 3.544 -25.242 -27.939 1.00 72.32 H new ATOM 0 HG22 VAL A 44 3.667 -23.675 -28.773 1.00 72.32 H new ATOM 0 HG23 VAL A 44 4.641 -23.987 -27.317 1.00 72.32 H new ATOM 707 N GLU A 45 5.095 -21.608 -26.971 1.00 74.03 N ATOM 708 CA GLU A 45 6.453 -21.342 -26.514 1.00 44.31 C ATOM 709 C GLU A 45 6.632 -19.866 -26.169 1.00 32.13 C ATOM 710 O GLU A 45 7.306 -19.521 -25.197 1.00 72.21 O ATOM 711 CB GLU A 45 7.465 -21.752 -27.586 1.00 4.10 C ATOM 712 CG GLU A 45 8.893 -21.343 -27.263 1.00 70.53 C ATOM 713 CD GLU A 45 9.920 -22.238 -27.929 1.00 24.30 C ATOM 714 OE1 GLU A 45 10.294 -21.955 -29.086 1.00 43.40 O ATOM 715 OE2 GLU A 45 10.351 -23.223 -27.292 1.00 14.52 O ATOM 0 H GLU A 45 4.981 -21.599 -27.985 1.00 74.03 H new ATOM 0 HA GLU A 45 6.628 -21.932 -25.614 1.00 44.31 H new ATOM 0 HB2 GLU A 45 7.426 -22.834 -27.716 1.00 4.10 H new ATOM 0 HB3 GLU A 45 7.175 -21.306 -28.537 1.00 4.10 H new ATOM 0 HG2 GLU A 45 9.053 -20.313 -27.581 1.00 70.53 H new ATOM 0 HG3 GLU A 45 9.039 -21.369 -26.183 1.00 70.53 H new ATOM 722 N LEU A 46 6.024 -18.999 -26.971 1.00 61.21 N ATOM 723 CA LEU A 46 6.115 -17.560 -26.752 1.00 3.11 C ATOM 724 C LEU A 46 5.405 -17.159 -25.463 1.00 24.33 C ATOM 725 O LEU A 46 6.010 -16.569 -24.568 1.00 34.34 O ATOM 726 CB LEU A 46 5.510 -16.804 -27.937 1.00 24.35 C ATOM 727 CG LEU A 46 6.077 -17.152 -29.314 1.00 14.42 C ATOM 728 CD1 LEU A 46 4.990 -17.067 -30.374 1.00 40.25 C ATOM 729 CD2 LEU A 46 7.237 -16.230 -29.661 1.00 72.23 C ATOM 0 H LEU A 46 5.463 -19.268 -27.779 1.00 61.21 H new ATOM 0 HA LEU A 46 7.169 -17.298 -26.661 1.00 3.11 H new ATOM 0 HB2 LEU A 46 4.436 -16.990 -27.951 1.00 24.35 H new ATOM 0 HB3 LEU A 46 5.647 -15.736 -27.769 1.00 24.35 H new ATOM 0 HG LEU A 46 6.449 -18.176 -29.286 1.00 14.42 H new ATOM 0 HD11 LEU A 46 5.411 -17.318 -31.348 1.00 40.25 H new ATOM 0 HD12 LEU A 46 4.191 -17.768 -30.133 1.00 40.25 H new ATOM 0 HD13 LEU A 46 4.588 -16.054 -30.402 1.00 40.25 H new ATOM 0 HD21 LEU A 46 7.628 -16.492 -30.644 1.00 72.23 H new ATOM 0 HD22 LEU A 46 6.890 -15.197 -29.672 1.00 72.23 H new ATOM 0 HD23 LEU A 46 8.025 -16.340 -28.916 1.00 72.23 H new ATOM 741 N MET A 47 4.120 -17.486 -25.375 1.00 22.12 N ATOM 742 CA MET A 47 3.329 -17.163 -24.193 1.00 60.21 C ATOM 743 C MET A 47 3.927 -17.806 -22.946 1.00 5.01 C ATOM 744 O MET A 47 3.828 -17.261 -21.847 1.00 44.32 O ATOM 745 CB MET A 47 1.884 -17.629 -24.378 1.00 34.32 C ATOM 746 CG MET A 47 1.272 -17.204 -25.703 1.00 4.42 C ATOM 747 SD MET A 47 -0.530 -17.259 -25.686 1.00 43.11 S ATOM 748 CE MET A 47 -0.812 -19.013 -25.460 1.00 75.25 C ATOM 0 H MET A 47 3.604 -17.974 -26.107 1.00 22.12 H new ATOM 0 HA MET A 47 3.341 -16.081 -24.063 1.00 60.21 H new ATOM 0 HB2 MET A 47 1.849 -18.716 -24.303 1.00 34.32 H new ATOM 0 HB3 MET A 47 1.277 -17.234 -23.564 1.00 34.32 H new ATOM 0 HG2 MET A 47 1.598 -16.192 -25.941 1.00 4.42 H new ATOM 0 HG3 MET A 47 1.644 -17.854 -26.495 1.00 4.42 H new ATOM 0 HE1 MET A 47 -1.704 -19.312 -26.011 1.00 75.25 H new ATOM 0 HE2 MET A 47 0.048 -19.571 -25.831 1.00 75.25 H new ATOM 0 HE3 MET A 47 -0.952 -19.225 -24.400 1.00 75.25 H new ATOM 758 N MET A 48 4.548 -18.968 -23.124 1.00 51.30 N ATOM 759 CA MET A 48 5.163 -19.684 -22.012 1.00 51.52 C ATOM 760 C MET A 48 6.136 -18.783 -21.257 1.00 74.04 C ATOM 761 O MET A 48 6.241 -18.856 -20.033 1.00 52.35 O ATOM 762 CB MET A 48 5.892 -20.929 -22.520 1.00 40.24 C ATOM 763 CG MET A 48 6.842 -21.535 -21.501 1.00 20.35 C ATOM 764 SD MET A 48 6.016 -21.982 -19.961 1.00 72.35 S ATOM 765 CE MET A 48 7.413 -22.493 -18.963 1.00 54.32 C ATOM 0 H MET A 48 4.639 -19.433 -24.027 1.00 51.30 H new ATOM 0 HA MET A 48 4.372 -19.989 -21.327 1.00 51.52 H new ATOM 0 HB2 MET A 48 5.155 -21.679 -22.809 1.00 40.24 H new ATOM 0 HB3 MET A 48 6.453 -20.671 -23.418 1.00 40.24 H new ATOM 0 HG2 MET A 48 7.310 -22.422 -21.929 1.00 20.35 H new ATOM 0 HG3 MET A 48 7.641 -20.825 -21.287 1.00 20.35 H new ATOM 0 HE1 MET A 48 7.241 -22.210 -17.924 1.00 54.32 H new ATOM 0 HE2 MET A 48 7.532 -23.574 -19.030 1.00 54.32 H new ATOM 0 HE3 MET A 48 8.318 -22.006 -19.327 1.00 54.32 H new ATOM 775 N ALA A 49 6.845 -17.935 -21.996 1.00 34.34 N ATOM 776 CA ALA A 49 7.807 -17.020 -21.395 1.00 61.02 C ATOM 777 C ALA A 49 7.139 -16.124 -20.357 1.00 64.42 C ATOM 778 O ALA A 49 7.800 -15.598 -19.461 1.00 32.42 O ATOM 779 CB ALA A 49 8.476 -16.177 -22.471 1.00 15.21 C ATOM 0 H ALA A 49 6.771 -17.863 -23.011 1.00 34.34 H new ATOM 0 HA ALA A 49 8.568 -17.613 -20.888 1.00 61.02 H new ATOM 0 HB1 ALA A 49 9.192 -15.498 -22.008 1.00 15.21 H new ATOM 0 HB2 ALA A 49 8.996 -16.829 -23.173 1.00 15.21 H new ATOM 0 HB3 ALA A 49 7.720 -15.600 -23.003 1.00 15.21 H new ATOM 785 N ILE A 50 5.828 -15.955 -20.485 1.00 13.01 N ATOM 786 CA ILE A 50 5.072 -15.123 -19.557 1.00 74.02 C ATOM 787 C ILE A 50 4.949 -15.793 -18.193 1.00 11.13 C ATOM 788 O ILE A 50 4.743 -15.126 -17.180 1.00 3.44 O ATOM 789 CB ILE A 50 3.661 -14.818 -20.096 1.00 22.35 C ATOM 790 CG1 ILE A 50 3.750 -14.096 -21.442 1.00 24.34 C ATOM 791 CG2 ILE A 50 2.880 -13.984 -19.092 1.00 11.15 C ATOM 792 CD1 ILE A 50 4.408 -12.737 -21.356 1.00 4.02 C ATOM 0 H ILE A 50 5.267 -16.383 -21.222 1.00 13.01 H new ATOM 0 HA ILE A 50 5.622 -14.188 -19.451 1.00 74.02 H new ATOM 0 HB ILE A 50 3.134 -15.760 -20.245 1.00 22.35 H new ATOM 0 HG12 ILE A 50 4.308 -14.717 -22.142 1.00 24.34 H new ATOM 0 HG13 ILE A 50 2.746 -13.979 -21.850 1.00 24.34 H new ATOM 0 HG21 ILE A 50 1.885 -13.777 -19.487 1.00 11.15 H new ATOM 0 HG22 ILE A 50 2.791 -14.533 -18.154 1.00 11.15 H new ATOM 0 HG23 ILE A 50 3.403 -13.044 -18.914 1.00 11.15 H new ATOM 0 HD11 ILE A 50 4.437 -12.283 -22.347 1.00 4.02 H new ATOM 0 HD12 ILE A 50 3.838 -12.099 -20.681 1.00 4.02 H new ATOM 0 HD13 ILE A 50 5.424 -12.848 -20.978 1.00 4.02 H new ATOM 804 N GLU A 51 5.078 -17.116 -18.175 1.00 44.22 N ATOM 805 CA GLU A 51 4.983 -17.876 -16.934 1.00 50.43 C ATOM 806 C GLU A 51 6.317 -17.876 -16.193 1.00 34.23 C ATOM 807 O GLU A 51 6.366 -17.664 -14.981 1.00 42.10 O ATOM 808 CB GLU A 51 4.547 -19.314 -17.223 1.00 11.40 C ATOM 809 CG GLU A 51 3.058 -19.456 -17.493 1.00 3.35 C ATOM 810 CD GLU A 51 2.711 -19.274 -18.957 1.00 73.03 C ATOM 811 OE1 GLU A 51 2.631 -18.112 -19.408 1.00 4.22 O ATOM 812 OE2 GLU A 51 2.518 -20.293 -19.653 1.00 11.03 O ATOM 0 H GLU A 51 5.248 -17.683 -19.005 1.00 44.22 H new ATOM 0 HA GLU A 51 4.236 -17.398 -16.301 1.00 50.43 H new ATOM 0 HB2 GLU A 51 5.101 -19.687 -18.085 1.00 11.40 H new ATOM 0 HB3 GLU A 51 4.816 -19.944 -16.375 1.00 11.40 H new ATOM 0 HG2 GLU A 51 2.725 -20.441 -17.164 1.00 3.35 H new ATOM 0 HG3 GLU A 51 2.513 -18.721 -16.900 1.00 3.35 H new ATOM 819 N VAL A 52 7.397 -18.117 -16.929 1.00 54.04 N ATOM 820 CA VAL A 52 8.731 -18.145 -16.343 1.00 43.01 C ATOM 821 C VAL A 52 9.212 -16.739 -16.003 1.00 51.33 C ATOM 822 O VAL A 52 10.146 -16.564 -15.222 1.00 11.23 O ATOM 823 CB VAL A 52 9.747 -18.808 -17.292 1.00 44.42 C ATOM 824 CG1 VAL A 52 9.480 -20.301 -17.403 1.00 11.12 C ATOM 825 CG2 VAL A 52 9.706 -18.147 -18.662 1.00 34.21 C ATOM 0 H VAL A 52 7.374 -18.296 -17.933 1.00 54.04 H new ATOM 0 HA VAL A 52 8.662 -18.733 -15.428 1.00 43.01 H new ATOM 0 HB VAL A 52 10.746 -18.672 -16.878 1.00 44.42 H new ATOM 0 HG11 VAL A 52 10.208 -20.752 -18.078 1.00 11.12 H new ATOM 0 HG12 VAL A 52 9.565 -20.760 -16.418 1.00 11.12 H new ATOM 0 HG13 VAL A 52 8.475 -20.463 -17.793 1.00 11.12 H new ATOM 0 HG21 VAL A 52 10.430 -18.628 -19.320 1.00 34.21 H new ATOM 0 HG22 VAL A 52 8.707 -18.249 -19.086 1.00 34.21 H new ATOM 0 HG23 VAL A 52 9.952 -17.090 -18.563 1.00 34.21 H new ATOM 835 N GLU A 53 8.566 -15.739 -16.596 1.00 63.12 N ATOM 836 CA GLU A 53 8.929 -14.347 -16.356 1.00 31.31 C ATOM 837 C GLU A 53 8.245 -13.816 -15.099 1.00 65.31 C ATOM 838 O GLU A 53 8.903 -13.316 -14.186 1.00 31.20 O ATOM 839 CB GLU A 53 8.549 -13.483 -17.560 1.00 63.01 C ATOM 840 CG GLU A 53 9.600 -13.473 -18.658 1.00 32.43 C ATOM 841 CD GLU A 53 10.281 -12.126 -18.801 1.00 62.33 C ATOM 842 OE1 GLU A 53 10.492 -11.456 -17.769 1.00 1.11 O ATOM 843 OE2 GLU A 53 10.603 -11.743 -19.945 1.00 42.50 O ATOM 0 H GLU A 53 7.790 -15.867 -17.245 1.00 63.12 H new ATOM 0 HA GLU A 53 10.008 -14.299 -16.210 1.00 31.31 H new ATOM 0 HB2 GLU A 53 7.607 -13.845 -17.973 1.00 63.01 H new ATOM 0 HB3 GLU A 53 8.378 -12.461 -17.223 1.00 63.01 H new ATOM 0 HG2 GLU A 53 10.350 -14.234 -18.445 1.00 32.43 H new ATOM 0 HG3 GLU A 53 9.133 -13.742 -19.605 1.00 32.43 H new ATOM 850 N TYR A 54 6.922 -13.928 -15.060 1.00 65.04 N ATOM 851 CA TYR A 54 6.149 -13.457 -13.918 1.00 13.21 C ATOM 852 C TYR A 54 6.247 -14.436 -12.752 1.00 72.12 C ATOM 853 O TYR A 54 6.078 -14.059 -11.594 1.00 14.14 O ATOM 854 CB TYR A 54 4.684 -13.262 -14.313 1.00 11.22 C ATOM 855 CG TYR A 54 4.396 -11.908 -14.921 1.00 13.33 C ATOM 856 CD1 TYR A 54 4.768 -10.738 -14.269 1.00 32.53 C ATOM 857 CD2 TYR A 54 3.751 -11.797 -16.146 1.00 74.43 C ATOM 858 CE1 TYR A 54 4.506 -9.499 -14.820 1.00 0.02 C ATOM 859 CE2 TYR A 54 3.486 -10.562 -16.706 1.00 21.34 C ATOM 860 CZ TYR A 54 3.866 -9.416 -16.039 1.00 35.14 C ATOM 861 OH TYR A 54 3.603 -8.184 -16.592 1.00 15.13 O ATOM 0 H TYR A 54 6.363 -14.341 -15.806 1.00 65.04 H new ATOM 0 HA TYR A 54 6.564 -12.500 -13.601 1.00 13.21 H new ATOM 0 HB2 TYR A 54 4.402 -14.038 -15.025 1.00 11.22 H new ATOM 0 HB3 TYR A 54 4.058 -13.396 -13.431 1.00 11.22 H new ATOM 0 HD1 TYR A 54 5.271 -10.799 -13.315 1.00 32.53 H new ATOM 0 HD2 TYR A 54 3.451 -12.692 -16.670 1.00 74.43 H new ATOM 0 HE1 TYR A 54 4.801 -8.600 -14.299 1.00 0.02 H new ATOM 0 HE2 TYR A 54 2.984 -10.494 -17.660 1.00 21.34 H new ATOM 0 HH TYR A 54 3.149 -8.302 -17.452 1.00 15.13 H new ATOM 871 N GLY A 55 6.523 -15.698 -13.069 1.00 55.32 N ATOM 872 CA GLY A 55 6.639 -16.713 -12.039 1.00 4.13 C ATOM 873 C GLY A 55 5.307 -17.350 -11.699 1.00 14.14 C ATOM 874 O GLY A 55 5.121 -17.865 -10.596 1.00 0.04 O ATOM 0 H GLY A 55 6.668 -16.035 -14.021 1.00 55.32 H new ATOM 0 HA2 GLY A 55 7.333 -17.485 -12.371 1.00 4.13 H new ATOM 0 HA3 GLY A 55 7.065 -16.267 -11.140 1.00 4.13 H new ATOM 878 N ILE A 56 4.376 -17.314 -12.647 1.00 4.24 N ATOM 879 CA ILE A 56 3.054 -17.892 -12.441 1.00 1.40 C ATOM 880 C ILE A 56 2.762 -18.977 -13.471 1.00 64.41 C ATOM 881 O ILE A 56 3.606 -19.294 -14.310 1.00 53.13 O ATOM 882 CB ILE A 56 1.952 -16.818 -12.517 1.00 45.14 C ATOM 883 CG1 ILE A 56 2.059 -16.040 -13.830 1.00 53.44 C ATOM 884 CG2 ILE A 56 2.048 -15.875 -11.327 1.00 63.22 C ATOM 885 CD1 ILE A 56 0.943 -15.039 -14.032 1.00 15.35 C ATOM 0 H ILE A 56 4.513 -16.891 -13.565 1.00 4.24 H new ATOM 0 HA ILE A 56 3.054 -18.332 -11.444 1.00 1.40 H new ATOM 0 HB ILE A 56 0.981 -17.312 -12.486 1.00 45.14 H new ATOM 0 HG12 ILE A 56 3.015 -15.517 -13.856 1.00 53.44 H new ATOM 0 HG13 ILE A 56 2.059 -16.745 -14.662 1.00 53.44 H new ATOM 0 HG21 ILE A 56 1.263 -15.122 -11.395 1.00 63.22 H new ATOM 0 HG22 ILE A 56 1.928 -16.441 -10.403 1.00 63.22 H new ATOM 0 HG23 ILE A 56 3.022 -15.385 -11.329 1.00 63.22 H new ATOM 0 HD11 ILE A 56 1.083 -14.525 -14.983 1.00 15.35 H new ATOM 0 HD12 ILE A 56 -0.015 -15.559 -14.039 1.00 15.35 H new ATOM 0 HD13 ILE A 56 0.956 -14.311 -13.220 1.00 15.35 H new ATOM 897 N ASP A 57 1.562 -19.543 -13.402 1.00 64.24 N ATOM 898 CA ASP A 57 1.157 -20.592 -14.331 1.00 64.01 C ATOM 899 C ASP A 57 -0.048 -20.152 -15.156 1.00 13.13 C ATOM 900 O ASP A 57 -0.961 -19.505 -14.642 1.00 33.15 O ATOM 901 CB ASP A 57 0.829 -21.877 -13.570 1.00 74.42 C ATOM 902 CG ASP A 57 2.051 -22.744 -13.342 1.00 65.12 C ATOM 903 OD1 ASP A 57 2.913 -22.352 -12.528 1.00 12.31 O ATOM 904 OD2 ASP A 57 2.148 -23.814 -13.979 1.00 34.41 O ATOM 0 H ASP A 57 0.853 -19.293 -12.713 1.00 64.24 H new ATOM 0 HA ASP A 57 1.988 -20.783 -15.010 1.00 64.01 H new ATOM 0 HB2 ASP A 57 0.384 -21.622 -12.608 1.00 74.42 H new ATOM 0 HB3 ASP A 57 0.083 -22.445 -14.126 1.00 74.42 H new ATOM 909 N ILE A 58 -0.044 -20.506 -16.436 1.00 43.34 N ATOM 910 CA ILE A 58 -1.137 -20.147 -17.331 1.00 62.14 C ATOM 911 C ILE A 58 -1.383 -21.242 -18.364 1.00 54.31 C ATOM 912 O ILE A 58 -0.736 -21.300 -19.410 1.00 55.10 O ATOM 913 CB ILE A 58 -0.854 -18.821 -18.063 1.00 21.45 C ATOM 914 CG1 ILE A 58 -0.556 -17.711 -17.053 1.00 44.23 C ATOM 915 CG2 ILE A 58 -2.034 -18.441 -18.944 1.00 42.42 C ATOM 916 CD1 ILE A 58 -0.187 -16.392 -17.697 1.00 30.40 C ATOM 0 H ILE A 58 0.704 -21.041 -16.877 1.00 43.34 H new ATOM 0 HA ILE A 58 -2.026 -20.028 -16.711 1.00 62.14 H new ATOM 0 HB ILE A 58 0.021 -18.952 -18.699 1.00 21.45 H new ATOM 0 HG12 ILE A 58 -1.430 -17.564 -16.418 1.00 44.23 H new ATOM 0 HG13 ILE A 58 0.260 -18.030 -16.404 1.00 44.23 H new ATOM 0 HG21 ILE A 58 -1.819 -17.502 -19.455 1.00 42.42 H new ATOM 0 HG22 ILE A 58 -2.204 -19.225 -19.682 1.00 42.42 H new ATOM 0 HG23 ILE A 58 -2.925 -18.323 -18.328 1.00 42.42 H new ATOM 0 HD11 ILE A 58 0.011 -15.652 -16.922 1.00 30.40 H new ATOM 0 HD12 ILE A 58 0.705 -16.523 -18.310 1.00 30.40 H new ATOM 0 HD13 ILE A 58 -1.011 -16.050 -18.324 1.00 30.40 H new ATOM 928 N PRO A 59 -2.343 -22.130 -18.067 1.00 21.44 N ATOM 929 CA PRO A 59 -2.699 -23.238 -18.958 1.00 33.53 C ATOM 930 C PRO A 59 -3.399 -22.761 -20.226 1.00 5.32 C ATOM 931 O PRO A 59 -3.876 -21.628 -20.294 1.00 10.05 O ATOM 932 CB PRO A 59 -3.651 -24.084 -18.109 1.00 33.45 C ATOM 933 CG PRO A 59 -4.234 -23.128 -17.126 1.00 23.11 C ATOM 934 CD PRO A 59 -3.154 -22.122 -16.838 1.00 11.33 C ATOM 0 HA PRO A 59 -1.819 -23.780 -19.305 1.00 33.53 H new ATOM 0 HB2 PRO A 59 -4.426 -24.543 -18.722 1.00 33.45 H new ATOM 0 HB3 PRO A 59 -3.121 -24.893 -17.607 1.00 33.45 H new ATOM 0 HG2 PRO A 59 -5.121 -22.643 -17.532 1.00 23.11 H new ATOM 0 HG3 PRO A 59 -4.541 -23.643 -16.216 1.00 23.11 H new ATOM 0 HD2 PRO A 59 -3.568 -21.134 -16.637 1.00 11.33 H new ATOM 0 HD3 PRO A 59 -2.564 -22.404 -15.966 1.00 11.33 H new ATOM 942 N ASP A 60 -3.456 -23.631 -21.228 1.00 4.11 N ATOM 943 CA ASP A 60 -4.098 -23.298 -22.494 1.00 33.01 C ATOM 944 C ASP A 60 -5.508 -22.763 -22.263 1.00 40.54 C ATOM 945 O ASP A 60 -5.972 -21.878 -22.983 1.00 1.43 O ATOM 946 CB ASP A 60 -4.148 -24.527 -23.403 1.00 54.45 C ATOM 947 CG ASP A 60 -2.822 -24.796 -24.086 1.00 62.11 C ATOM 948 OD1 ASP A 60 -2.567 -24.189 -25.147 1.00 60.31 O ATOM 949 OD2 ASP A 60 -2.039 -25.615 -23.560 1.00 3.43 O ATOM 0 H ASP A 60 -3.065 -24.572 -21.188 1.00 4.11 H new ATOM 0 HA ASP A 60 -3.508 -22.520 -22.980 1.00 33.01 H new ATOM 0 HB2 ASP A 60 -4.434 -25.399 -22.815 1.00 54.45 H new ATOM 0 HB3 ASP A 60 -4.921 -24.385 -24.159 1.00 54.45 H new ATOM 954 N ASP A 61 -6.184 -23.306 -21.257 1.00 53.52 N ATOM 955 CA ASP A 61 -7.541 -22.883 -20.932 1.00 14.43 C ATOM 956 C ASP A 61 -7.584 -21.392 -20.609 1.00 65.13 C ATOM 957 O ASP A 61 -8.571 -20.714 -20.893 1.00 25.31 O ATOM 958 CB ASP A 61 -8.080 -23.688 -19.748 1.00 64.44 C ATOM 959 CG ASP A 61 -8.057 -25.182 -20.007 1.00 74.12 C ATOM 960 OD1 ASP A 61 -8.475 -25.599 -21.108 1.00 23.35 O ATOM 961 OD2 ASP A 61 -7.624 -25.934 -19.109 1.00 3.10 O ATOM 0 H ASP A 61 -5.815 -24.040 -20.652 1.00 53.52 H new ATOM 0 HA ASP A 61 -8.170 -23.067 -21.803 1.00 14.43 H new ATOM 0 HB2 ASP A 61 -7.486 -23.466 -18.861 1.00 64.44 H new ATOM 0 HB3 ASP A 61 -9.102 -23.375 -19.534 1.00 64.44 H new ATOM 966 N GLU A 62 -6.506 -20.890 -20.014 1.00 51.22 N ATOM 967 CA GLU A 62 -6.422 -19.480 -19.652 1.00 1.12 C ATOM 968 C GLU A 62 -5.495 -18.728 -20.602 1.00 64.23 C ATOM 969 O GLU A 62 -5.120 -17.584 -20.346 1.00 31.43 O ATOM 970 CB GLU A 62 -5.926 -19.329 -18.212 1.00 63.32 C ATOM 971 CG GLU A 62 -6.736 -20.125 -17.203 1.00 0.23 C ATOM 972 CD GLU A 62 -8.053 -19.458 -16.856 1.00 41.11 C ATOM 973 OE1 GLU A 62 -8.588 -18.723 -17.712 1.00 54.03 O ATOM 974 OE2 GLU A 62 -8.548 -19.670 -15.730 1.00 22.24 O ATOM 0 H GLU A 62 -5.680 -21.438 -19.773 1.00 51.22 H new ATOM 0 HA GLU A 62 -7.421 -19.051 -19.732 1.00 1.12 H new ATOM 0 HB2 GLU A 62 -4.884 -19.646 -18.160 1.00 63.32 H new ATOM 0 HB3 GLU A 62 -5.953 -18.275 -17.936 1.00 63.32 H new ATOM 0 HG2 GLU A 62 -6.931 -21.120 -17.603 1.00 0.23 H new ATOM 0 HG3 GLU A 62 -6.149 -20.257 -16.294 1.00 0.23 H new ATOM 981 N ALA A 63 -5.128 -19.380 -21.701 1.00 21.33 N ATOM 982 CA ALA A 63 -4.246 -18.774 -22.690 1.00 70.25 C ATOM 983 C ALA A 63 -4.967 -17.681 -23.471 1.00 42.44 C ATOM 984 O ALA A 63 -4.344 -16.915 -24.208 1.00 62.44 O ATOM 985 CB ALA A 63 -3.708 -19.836 -23.639 1.00 14.33 C ATOM 0 H ALA A 63 -5.428 -20.328 -21.928 1.00 21.33 H new ATOM 0 HA ALA A 63 -3.409 -18.316 -22.163 1.00 70.25 H new ATOM 0 HB1 ALA A 63 -3.051 -19.369 -24.372 1.00 14.33 H new ATOM 0 HB2 ALA A 63 -3.149 -20.581 -23.072 1.00 14.33 H new ATOM 0 HB3 ALA A 63 -4.539 -20.320 -24.152 1.00 14.33 H new ATOM 991 N THR A 64 -6.284 -17.612 -23.306 1.00 52.13 N ATOM 992 CA THR A 64 -7.090 -16.613 -23.997 1.00 70.31 C ATOM 993 C THR A 64 -7.559 -15.525 -23.038 1.00 23.43 C ATOM 994 O THR A 64 -8.470 -14.759 -23.349 1.00 52.52 O ATOM 995 CB THR A 64 -8.319 -17.252 -24.671 1.00 51.43 C ATOM 996 OG1 THR A 64 -9.192 -17.801 -23.678 1.00 74.14 O ATOM 997 CG2 THR A 64 -7.897 -18.343 -25.643 1.00 73.41 C ATOM 0 H THR A 64 -6.816 -18.236 -22.699 1.00 52.13 H new ATOM 0 HA THR A 64 -6.454 -16.169 -24.763 1.00 70.31 H new ATOM 0 HB THR A 64 -8.845 -16.476 -25.227 1.00 51.43 H new ATOM 0 HG1 THR A 64 -9.972 -18.204 -24.114 1.00 74.14 H new ATOM 0 HG21 THR A 64 -8.782 -18.779 -26.107 1.00 73.41 H new ATOM 0 HG22 THR A 64 -7.257 -17.915 -26.414 1.00 73.41 H new ATOM 0 HG23 THR A 64 -7.350 -19.117 -25.106 1.00 73.41 H new ATOM 1005 N LYS A 65 -6.930 -15.463 -21.869 1.00 3.30 N ATOM 1006 CA LYS A 65 -7.280 -14.467 -20.863 1.00 54.12 C ATOM 1007 C LYS A 65 -6.086 -13.574 -20.542 1.00 52.01 C ATOM 1008 O LYS A 65 -6.132 -12.773 -19.608 1.00 22.33 O ATOM 1009 CB LYS A 65 -7.776 -15.153 -19.588 1.00 5.31 C ATOM 1010 CG LYS A 65 -9.235 -15.569 -19.649 1.00 21.34 C ATOM 1011 CD LYS A 65 -10.114 -14.642 -18.826 1.00 31.41 C ATOM 1012 CE LYS A 65 -10.869 -13.661 -19.709 1.00 41.30 C ATOM 1013 NZ LYS A 65 -11.897 -14.342 -20.543 1.00 35.33 N ATOM 0 H LYS A 65 -6.175 -16.091 -21.595 1.00 3.30 H new ATOM 0 HA LYS A 65 -8.078 -13.844 -21.267 1.00 54.12 H new ATOM 0 HB2 LYS A 65 -7.163 -16.034 -19.398 1.00 5.31 H new ATOM 0 HB3 LYS A 65 -7.634 -14.478 -18.744 1.00 5.31 H new ATOM 0 HG2 LYS A 65 -9.572 -15.566 -20.686 1.00 21.34 H new ATOM 0 HG3 LYS A 65 -9.339 -16.590 -19.283 1.00 21.34 H new ATOM 0 HD2 LYS A 65 -10.824 -15.232 -18.246 1.00 31.41 H new ATOM 0 HD3 LYS A 65 -9.499 -14.093 -18.114 1.00 31.41 H new ATOM 0 HE2 LYS A 65 -11.349 -12.907 -19.086 1.00 41.30 H new ATOM 0 HE3 LYS A 65 -10.164 -13.139 -20.356 1.00 41.30 H new ATOM 0 HZ1 LYS A 65 -12.610 -13.650 -20.849 1.00 35.33 H new ATOM 0 HZ2 LYS A 65 -11.443 -14.764 -21.378 1.00 35.33 H new ATOM 0 HZ3 LYS A 65 -12.358 -15.089 -19.985 1.00 35.33 H new ATOM 1027 N ILE A 66 -5.020 -13.716 -21.323 1.00 13.14 N ATOM 1028 CA ILE A 66 -3.816 -12.920 -21.122 1.00 42.10 C ATOM 1029 C ILE A 66 -3.171 -12.554 -22.454 1.00 44.14 C ATOM 1030 O ILE A 66 -2.024 -12.108 -22.500 1.00 62.21 O ATOM 1031 CB ILE A 66 -2.786 -13.666 -20.254 1.00 21.34 C ATOM 1032 CG1 ILE A 66 -1.978 -14.644 -21.109 1.00 73.51 C ATOM 1033 CG2 ILE A 66 -3.483 -14.399 -19.117 1.00 52.01 C ATOM 1034 CD1 ILE A 66 -2.837 -15.573 -21.939 1.00 50.22 C ATOM 0 H ILE A 66 -4.966 -14.374 -22.100 1.00 13.14 H new ATOM 0 HA ILE A 66 -4.122 -12.010 -20.606 1.00 42.10 H new ATOM 0 HB ILE A 66 -2.100 -12.937 -19.824 1.00 21.34 H new ATOM 0 HG12 ILE A 66 -1.323 -14.079 -21.772 1.00 73.51 H new ATOM 0 HG13 ILE A 66 -1.337 -15.239 -20.458 1.00 73.51 H new ATOM 0 HG21 ILE A 66 -2.742 -14.921 -18.512 1.00 52.01 H new ATOM 0 HG22 ILE A 66 -4.018 -13.681 -18.495 1.00 52.01 H new ATOM 0 HG23 ILE A 66 -4.189 -15.120 -19.528 1.00 52.01 H new ATOM 0 HD11 ILE A 66 -2.198 -16.238 -22.520 1.00 50.22 H new ATOM 0 HD12 ILE A 66 -3.474 -16.165 -21.281 1.00 50.22 H new ATOM 0 HD13 ILE A 66 -3.459 -14.986 -22.615 1.00 50.22 H new ATOM 1046 N LYS A 67 -3.916 -12.743 -23.538 1.00 64.41 N ATOM 1047 CA LYS A 67 -3.419 -12.431 -24.873 1.00 10.32 C ATOM 1048 C LYS A 67 -3.329 -10.922 -25.080 1.00 72.24 C ATOM 1049 O LYS A 67 -2.296 -10.403 -25.505 1.00 71.52 O ATOM 1050 CB LYS A 67 -4.330 -13.049 -25.936 1.00 63.10 C ATOM 1051 CG LYS A 67 -3.723 -13.053 -27.329 1.00 14.24 C ATOM 1052 CD LYS A 67 -2.839 -14.269 -27.549 1.00 12.24 C ATOM 1053 CE LYS A 67 -3.666 -15.530 -27.748 1.00 65.11 C ATOM 1054 NZ LYS A 67 -4.315 -15.562 -29.088 1.00 3.30 N ATOM 0 H LYS A 67 -4.867 -13.111 -23.518 1.00 64.41 H new ATOM 0 HA LYS A 67 -2.419 -12.854 -24.970 1.00 10.32 H new ATOM 0 HB2 LYS A 67 -4.567 -14.074 -25.649 1.00 63.10 H new ATOM 0 HB3 LYS A 67 -5.271 -12.499 -25.960 1.00 63.10 H new ATOM 0 HG2 LYS A 67 -4.519 -13.041 -28.074 1.00 14.24 H new ATOM 0 HG3 LYS A 67 -3.137 -12.145 -27.474 1.00 14.24 H new ATOM 0 HD2 LYS A 67 -2.205 -14.107 -28.421 1.00 12.24 H new ATOM 0 HD3 LYS A 67 -2.176 -14.398 -26.693 1.00 12.24 H new ATOM 0 HE2 LYS A 67 -3.027 -16.405 -27.633 1.00 65.11 H new ATOM 0 HE3 LYS A 67 -4.430 -15.589 -26.973 1.00 65.11 H new ATOM 0 HZ1 LYS A 67 -4.712 -16.508 -29.259 1.00 3.30 H new ATOM 0 HZ2 LYS A 67 -5.077 -14.855 -29.121 1.00 3.30 H new ATOM 0 HZ3 LYS A 67 -3.610 -15.345 -29.821 1.00 3.30 H new ATOM 1068 N THR A 68 -4.418 -10.222 -24.777 1.00 5.43 N ATOM 1069 CA THR A 68 -4.461 -8.773 -24.930 1.00 12.14 C ATOM 1070 C THR A 68 -3.827 -8.074 -23.732 1.00 71.33 C ATOM 1071 O THR A 68 -3.916 -8.554 -22.602 1.00 51.00 O ATOM 1072 CB THR A 68 -5.907 -8.269 -25.097 1.00 32.11 C ATOM 1073 OG1 THR A 68 -6.831 -9.300 -24.729 1.00 2.53 O ATOM 1074 CG2 THR A 68 -6.167 -7.837 -26.532 1.00 71.33 C ATOM 0 H THR A 68 -5.281 -10.635 -24.424 1.00 5.43 H new ATOM 0 HA THR A 68 -3.894 -8.533 -25.829 1.00 12.14 H new ATOM 0 HB THR A 68 -6.046 -7.407 -24.444 1.00 32.11 H new ATOM 0 HG1 THR A 68 -7.748 -8.971 -24.836 1.00 2.53 H new ATOM 0 HG21 THR A 68 -7.194 -7.485 -26.626 1.00 71.33 H new ATOM 0 HG22 THR A 68 -5.482 -7.032 -26.800 1.00 71.33 H new ATOM 0 HG23 THR A 68 -6.011 -8.684 -27.201 1.00 71.33 H new ATOM 1082 N VAL A 69 -3.187 -6.937 -23.987 1.00 60.40 N ATOM 1083 CA VAL A 69 -2.539 -6.171 -22.929 1.00 71.32 C ATOM 1084 C VAL A 69 -3.515 -5.858 -21.801 1.00 33.02 C ATOM 1085 O VAL A 69 -3.115 -5.684 -20.650 1.00 24.21 O ATOM 1086 CB VAL A 69 -1.955 -4.852 -23.469 1.00 21.22 C ATOM 1087 CG1 VAL A 69 -1.156 -4.140 -22.388 1.00 32.12 C ATOM 1088 CG2 VAL A 69 -1.093 -5.114 -24.695 1.00 12.22 C ATOM 0 H VAL A 69 -3.103 -6.526 -24.917 1.00 60.40 H new ATOM 0 HA VAL A 69 -1.728 -6.788 -22.543 1.00 71.32 H new ATOM 0 HB VAL A 69 -2.780 -4.203 -23.765 1.00 21.22 H new ATOM 0 HG11 VAL A 69 -0.751 -3.210 -22.788 1.00 32.12 H new ATOM 0 HG12 VAL A 69 -1.806 -3.918 -21.542 1.00 32.12 H new ATOM 0 HG13 VAL A 69 -0.338 -4.780 -22.059 1.00 32.12 H new ATOM 0 HG21 VAL A 69 -0.688 -4.171 -25.064 1.00 12.22 H new ATOM 0 HG22 VAL A 69 -0.273 -5.781 -24.428 1.00 12.22 H new ATOM 0 HG23 VAL A 69 -1.699 -5.578 -25.473 1.00 12.22 H new ATOM 1098 N SER A 70 -4.799 -5.788 -22.139 1.00 1.24 N ATOM 1099 CA SER A 70 -5.833 -5.492 -21.154 1.00 73.23 C ATOM 1100 C SER A 70 -6.186 -6.737 -20.346 1.00 61.21 C ATOM 1101 O SER A 70 -6.517 -6.650 -19.163 1.00 43.04 O ATOM 1102 CB SER A 70 -7.085 -4.948 -21.846 1.00 43.10 C ATOM 1103 OG SER A 70 -7.957 -5.999 -22.223 1.00 31.22 O ATOM 0 H SER A 70 -5.148 -5.932 -23.087 1.00 1.24 H new ATOM 0 HA SER A 70 -5.445 -4.735 -20.472 1.00 73.23 H new ATOM 0 HB2 SER A 70 -7.605 -4.262 -21.177 1.00 43.10 H new ATOM 0 HB3 SER A 70 -6.797 -4.376 -22.728 1.00 43.10 H new ATOM 0 HG SER A 70 -8.750 -5.625 -22.661 1.00 31.22 H new ATOM 1109 N ASP A 71 -6.113 -7.895 -20.993 1.00 42.03 N ATOM 1110 CA ASP A 71 -6.423 -9.159 -20.336 1.00 30.30 C ATOM 1111 C ASP A 71 -5.217 -9.678 -19.560 1.00 22.44 C ATOM 1112 O ASP A 71 -5.359 -10.469 -18.627 1.00 11.35 O ATOM 1113 CB ASP A 71 -6.868 -10.199 -21.366 1.00 42.42 C ATOM 1114 CG ASP A 71 -8.357 -10.474 -21.305 1.00 33.25 C ATOM 1115 OD1 ASP A 71 -9.137 -9.504 -21.197 1.00 23.03 O ATOM 1116 OD2 ASP A 71 -8.744 -11.660 -21.365 1.00 2.10 O ATOM 0 H ASP A 71 -5.842 -7.984 -21.972 1.00 42.03 H new ATOM 0 HA ASP A 71 -7.237 -8.984 -19.633 1.00 30.30 H new ATOM 0 HB2 ASP A 71 -6.606 -9.851 -22.365 1.00 42.42 H new ATOM 0 HB3 ASP A 71 -6.323 -11.128 -21.199 1.00 42.42 H new ATOM 1121 N VAL A 72 -4.029 -9.229 -19.952 1.00 62.32 N ATOM 1122 CA VAL A 72 -2.797 -9.648 -19.293 1.00 74.24 C ATOM 1123 C VAL A 72 -2.794 -9.240 -17.824 1.00 62.45 C ATOM 1124 O VAL A 72 -2.823 -10.090 -16.934 1.00 20.41 O ATOM 1125 CB VAL A 72 -1.559 -9.048 -19.985 1.00 2.44 C ATOM 1126 CG1 VAL A 72 -0.292 -9.422 -19.230 1.00 71.35 C ATOM 1127 CG2 VAL A 72 -1.482 -9.507 -21.433 1.00 15.41 C ATOM 0 H VAL A 72 -3.893 -8.575 -20.723 1.00 62.32 H new ATOM 0 HA VAL A 72 -2.752 -10.735 -19.365 1.00 74.24 H new ATOM 0 HB VAL A 72 -1.651 -7.962 -19.977 1.00 2.44 H new ATOM 0 HG11 VAL A 72 0.573 -8.989 -19.733 1.00 71.35 H new ATOM 0 HG12 VAL A 72 -0.349 -9.038 -18.211 1.00 71.35 H new ATOM 0 HG13 VAL A 72 -0.191 -10.507 -19.204 1.00 71.35 H new ATOM 0 HG21 VAL A 72 -0.601 -9.073 -21.906 1.00 15.41 H new ATOM 0 HG22 VAL A 72 -1.414 -10.594 -21.467 1.00 15.41 H new ATOM 0 HG23 VAL A 72 -2.376 -9.183 -21.965 1.00 15.41 H new ATOM 1137 N ILE A 73 -2.758 -7.935 -17.579 1.00 34.14 N ATOM 1138 CA ILE A 73 -2.753 -7.415 -16.217 1.00 42.42 C ATOM 1139 C ILE A 73 -4.074 -7.703 -15.513 1.00 13.20 C ATOM 1140 O ILE A 73 -4.137 -7.759 -14.285 1.00 11.24 O ATOM 1141 CB ILE A 73 -2.493 -5.897 -16.196 1.00 10.32 C ATOM 1142 CG1 ILE A 73 -1.249 -5.558 -17.020 1.00 74.55 C ATOM 1143 CG2 ILE A 73 -2.335 -5.406 -14.764 1.00 75.43 C ATOM 1144 CD1 ILE A 73 0.017 -6.198 -16.495 1.00 14.14 C ATOM 0 H ILE A 73 -2.732 -7.219 -18.305 1.00 34.14 H new ATOM 0 HA ILE A 73 -1.945 -7.922 -15.689 1.00 42.42 H new ATOM 0 HB ILE A 73 -3.350 -5.391 -16.641 1.00 10.32 H new ATOM 0 HG12 ILE A 73 -1.407 -5.877 -18.050 1.00 74.55 H new ATOM 0 HG13 ILE A 73 -1.119 -4.476 -17.038 1.00 74.55 H new ATOM 0 HG21 ILE A 73 -2.152 -4.332 -14.766 1.00 75.43 H new ATOM 0 HG22 ILE A 73 -3.246 -5.618 -14.204 1.00 75.43 H new ATOM 0 HG23 ILE A 73 -1.494 -5.917 -14.295 1.00 75.43 H new ATOM 0 HD11 ILE A 73 0.858 -5.914 -17.128 1.00 14.14 H new ATOM 0 HD12 ILE A 73 0.200 -5.859 -15.475 1.00 14.14 H new ATOM 0 HD13 ILE A 73 -0.093 -7.282 -16.503 1.00 14.14 H new ATOM 1156 N LYS A 74 -5.129 -7.887 -16.299 1.00 54.03 N ATOM 1157 CA LYS A 74 -6.451 -8.173 -15.753 1.00 23.00 C ATOM 1158 C LYS A 74 -6.503 -9.579 -15.165 1.00 34.35 C ATOM 1159 O LYS A 74 -6.891 -9.766 -14.011 1.00 2.33 O ATOM 1160 CB LYS A 74 -7.518 -8.023 -16.840 1.00 22.14 C ATOM 1161 CG LYS A 74 -8.910 -8.427 -16.385 1.00 43.10 C ATOM 1162 CD LYS A 74 -9.196 -9.887 -16.694 1.00 43.24 C ATOM 1163 CE LYS A 74 -9.689 -10.631 -15.463 1.00 63.31 C ATOM 1164 NZ LYS A 74 -9.944 -12.070 -15.750 1.00 73.02 N ATOM 0 H LYS A 74 -5.095 -7.843 -17.317 1.00 54.03 H new ATOM 0 HA LYS A 74 -6.651 -7.457 -14.956 1.00 23.00 H new ATOM 0 HB2 LYS A 74 -7.541 -6.986 -17.174 1.00 22.14 H new ATOM 0 HB3 LYS A 74 -7.236 -8.629 -17.701 1.00 22.14 H new ATOM 0 HG2 LYS A 74 -9.007 -8.255 -15.313 1.00 43.10 H new ATOM 0 HG3 LYS A 74 -9.652 -7.798 -16.877 1.00 43.10 H new ATOM 0 HD2 LYS A 74 -9.944 -9.953 -17.484 1.00 43.24 H new ATOM 0 HD3 LYS A 74 -8.291 -10.364 -17.071 1.00 43.24 H new ATOM 0 HE2 LYS A 74 -8.950 -10.545 -14.666 1.00 63.31 H new ATOM 0 HE3 LYS A 74 -10.605 -10.165 -15.100 1.00 63.31 H new ATOM 0 HZ1 LYS A 74 -10.279 -12.542 -14.886 1.00 73.02 H new ATOM 0 HZ2 LYS A 74 -10.668 -12.153 -16.492 1.00 73.02 H new ATOM 0 HZ3 LYS A 74 -9.064 -12.521 -16.072 1.00 73.02 H new ATOM 1178 N TYR A 75 -6.110 -10.565 -15.963 1.00 53.15 N ATOM 1179 CA TYR A 75 -6.114 -11.954 -15.522 1.00 22.54 C ATOM 1180 C TYR A 75 -4.945 -12.230 -14.581 1.00 0.24 C ATOM 1181 O TYR A 75 -5.135 -12.697 -13.457 1.00 40.12 O ATOM 1182 CB TYR A 75 -6.046 -12.895 -16.726 1.00 43.32 C ATOM 1183 CG TYR A 75 -5.848 -14.346 -16.351 1.00 63.00 C ATOM 1184 CD1 TYR A 75 -4.574 -14.866 -16.154 1.00 15.33 C ATOM 1185 CD2 TYR A 75 -6.934 -15.197 -16.193 1.00 35.41 C ATOM 1186 CE1 TYR A 75 -4.389 -16.191 -15.812 1.00 31.23 C ATOM 1187 CE2 TYR A 75 -6.759 -16.524 -15.850 1.00 4.15 C ATOM 1188 CZ TYR A 75 -5.484 -17.016 -15.661 1.00 31.25 C ATOM 1189 OH TYR A 75 -5.304 -18.337 -15.318 1.00 43.25 O ATOM 0 H TYR A 75 -5.784 -10.428 -16.920 1.00 53.15 H new ATOM 0 HA TYR A 75 -7.043 -12.133 -14.981 1.00 22.54 H new ATOM 0 HB2 TYR A 75 -6.966 -12.800 -17.303 1.00 43.32 H new ATOM 0 HB3 TYR A 75 -5.229 -12.582 -17.375 1.00 43.32 H new ATOM 0 HD1 TYR A 75 -3.714 -14.223 -16.270 1.00 15.33 H new ATOM 0 HD2 TYR A 75 -7.933 -14.815 -16.341 1.00 35.41 H new ATOM 0 HE1 TYR A 75 -3.392 -16.579 -15.664 1.00 31.23 H new ATOM 0 HE2 TYR A 75 -7.615 -17.172 -15.731 1.00 4.15 H new ATOM 0 HH TYR A 75 -6.110 -18.672 -14.871 1.00 43.25 H new ATOM 1199 N ILE A 76 -3.736 -11.936 -15.048 1.00 32.33 N ATOM 1200 CA ILE A 76 -2.536 -12.150 -14.248 1.00 72.14 C ATOM 1201 C ILE A 76 -2.698 -11.569 -12.848 1.00 31.53 C ATOM 1202 O ILE A 76 -2.114 -12.068 -11.885 1.00 42.23 O ATOM 1203 CB ILE A 76 -1.298 -11.521 -14.913 1.00 4.42 C ATOM 1204 CG1 ILE A 76 -0.985 -12.228 -16.233 1.00 22.52 C ATOM 1205 CG2 ILE A 76 -0.102 -11.586 -13.974 1.00 72.21 C ATOM 1206 CD1 ILE A 76 0.205 -11.647 -16.963 1.00 42.42 C ATOM 0 H ILE A 76 -3.562 -11.549 -15.976 1.00 32.33 H new ATOM 0 HA ILE A 76 -2.392 -13.228 -14.176 1.00 72.14 H new ATOM 0 HB ILE A 76 -1.512 -10.474 -15.126 1.00 4.42 H new ATOM 0 HG12 ILE A 76 -0.799 -13.284 -16.035 1.00 22.52 H new ATOM 0 HG13 ILE A 76 -1.860 -12.174 -16.881 1.00 22.52 H new ATOM 0 HG21 ILE A 76 0.766 -11.138 -14.458 1.00 72.21 H new ATOM 0 HG22 ILE A 76 -0.329 -11.041 -13.058 1.00 72.21 H new ATOM 0 HG23 ILE A 76 0.115 -12.627 -13.733 1.00 72.21 H new ATOM 0 HD11 ILE A 76 0.368 -12.198 -17.889 1.00 42.42 H new ATOM 0 HD12 ILE A 76 0.015 -10.599 -17.193 1.00 42.42 H new ATOM 0 HD13 ILE A 76 1.092 -11.725 -16.334 1.00 42.42 H new ATOM 1218 N LYS A 77 -3.497 -10.513 -12.740 1.00 20.32 N ATOM 1219 CA LYS A 77 -3.740 -9.865 -11.457 1.00 1.05 C ATOM 1220 C LYS A 77 -4.327 -10.851 -10.451 1.00 42.24 C ATOM 1221 O LYS A 77 -3.698 -11.170 -9.443 1.00 72.51 O ATOM 1222 CB LYS A 77 -4.687 -8.676 -11.634 1.00 31.14 C ATOM 1223 CG LYS A 77 -5.360 -8.237 -10.345 1.00 32.44 C ATOM 1224 CD LYS A 77 -5.727 -6.763 -10.381 1.00 22.33 C ATOM 1225 CE LYS A 77 -6.278 -6.293 -9.043 1.00 63.02 C ATOM 1226 NZ LYS A 77 -6.754 -4.883 -9.104 1.00 70.42 N ATOM 0 H LYS A 77 -3.988 -10.087 -13.526 1.00 20.32 H new ATOM 0 HA LYS A 77 -2.785 -9.507 -11.073 1.00 1.05 H new ATOM 0 HB2 LYS A 77 -4.129 -7.836 -12.047 1.00 31.14 H new ATOM 0 HB3 LYS A 77 -5.454 -8.938 -12.363 1.00 31.14 H new ATOM 0 HG2 LYS A 77 -6.258 -8.833 -10.181 1.00 32.44 H new ATOM 0 HG3 LYS A 77 -4.694 -8.427 -9.503 1.00 32.44 H new ATOM 0 HD2 LYS A 77 -4.847 -6.174 -10.641 1.00 22.33 H new ATOM 0 HD3 LYS A 77 -6.468 -6.590 -11.162 1.00 22.33 H new ATOM 0 HE2 LYS A 77 -7.101 -6.941 -8.741 1.00 63.02 H new ATOM 0 HE3 LYS A 77 -5.505 -6.383 -8.280 1.00 63.02 H new ATOM 0 HZ1 LYS A 77 -7.122 -4.600 -8.173 1.00 70.42 H new ATOM 0 HZ2 LYS A 77 -5.963 -4.261 -9.367 1.00 70.42 H new ATOM 0 HZ3 LYS A 77 -7.510 -4.802 -9.814 1.00 70.42 H new ATOM 1240 N GLU A 78 -5.534 -11.330 -10.735 1.00 13.54 N ATOM 1241 CA GLU A 78 -6.204 -12.280 -9.854 1.00 53.45 C ATOM 1242 C GLU A 78 -5.401 -13.572 -9.737 1.00 13.12 C ATOM 1243 O GLU A 78 -5.528 -14.307 -8.757 1.00 50.22 O ATOM 1244 CB GLU A 78 -7.611 -12.586 -10.374 1.00 3.31 C ATOM 1245 CG GLU A 78 -8.684 -12.517 -9.301 1.00 31.42 C ATOM 1246 CD GLU A 78 -8.680 -11.197 -8.554 1.00 63.53 C ATOM 1247 OE1 GLU A 78 -8.781 -10.143 -9.215 1.00 41.43 O ATOM 1248 OE2 GLU A 78 -8.575 -11.219 -7.310 1.00 62.13 O ATOM 0 H GLU A 78 -6.067 -11.076 -11.567 1.00 13.54 H new ATOM 0 HA GLU A 78 -6.280 -11.829 -8.865 1.00 53.45 H new ATOM 0 HB2 GLU A 78 -7.857 -11.881 -11.168 1.00 3.31 H new ATOM 0 HB3 GLU A 78 -7.617 -13.581 -10.818 1.00 3.31 H new ATOM 0 HG2 GLU A 78 -9.661 -12.667 -9.760 1.00 31.42 H new ATOM 0 HG3 GLU A 78 -8.536 -13.332 -8.592 1.00 31.42 H new ATOM 1255 N ARG A 79 -4.576 -13.842 -10.742 1.00 64.24 N ATOM 1256 CA ARG A 79 -3.753 -15.046 -10.753 1.00 52.13 C ATOM 1257 C ARG A 79 -2.606 -14.930 -9.753 1.00 54.14 C ATOM 1258 O ARG A 79 -2.311 -15.874 -9.022 1.00 31.51 O ATOM 1259 CB ARG A 79 -3.197 -15.297 -12.156 1.00 53.23 C ATOM 1260 CG ARG A 79 -3.054 -16.770 -12.500 1.00 72.41 C ATOM 1261 CD ARG A 79 -1.699 -17.313 -12.073 1.00 74.11 C ATOM 1262 NE ARG A 79 -1.773 -18.715 -11.671 1.00 73.34 N ATOM 1263 CZ ARG A 79 -0.866 -19.308 -10.903 1.00 74.52 C ATOM 1264 NH1 ARG A 79 0.178 -18.625 -10.456 1.00 13.33 N ATOM 1265 NH2 ARG A 79 -1.003 -20.588 -10.581 1.00 32.33 N ATOM 0 H ARG A 79 -4.459 -13.244 -11.560 1.00 64.24 H new ATOM 0 HA ARG A 79 -4.382 -15.888 -10.463 1.00 52.13 H new ATOM 0 HB2 ARG A 79 -3.852 -14.824 -12.887 1.00 53.23 H new ATOM 0 HB3 ARG A 79 -2.223 -14.816 -12.243 1.00 53.23 H new ATOM 0 HG2 ARG A 79 -3.845 -17.338 -12.010 1.00 72.41 H new ATOM 0 HG3 ARG A 79 -3.180 -16.908 -13.574 1.00 72.41 H new ATOM 0 HD2 ARG A 79 -0.991 -17.209 -12.895 1.00 74.11 H new ATOM 0 HD3 ARG A 79 -1.315 -16.718 -11.244 1.00 74.11 H new ATOM 0 HE ARG A 79 -2.565 -19.269 -11.998 1.00 73.34 H new ATOM 0 HH11 ARG A 79 0.287 -17.641 -10.702 1.00 13.33 H new ATOM 0 HH12 ARG A 79 0.873 -19.083 -9.866 1.00 13.33 H new ATOM 0 HH21 ARG A 79 -1.805 -21.117 -10.923 1.00 32.33 H new ATOM 0 HH22 ARG A 79 -0.306 -21.043 -9.991 1.00 32.33 H new ATOM 1279 N GLN A 80 -1.965 -13.766 -9.729 1.00 63.32 N ATOM 1280 CA GLN A 80 -0.850 -13.528 -8.820 1.00 61.11 C ATOM 1281 C GLN A 80 -1.274 -13.743 -7.371 1.00 2.32 C ATOM 1282 O GLN A 80 -2.331 -13.276 -6.948 1.00 33.14 O ATOM 1283 CB GLN A 80 -0.311 -12.108 -9.001 1.00 60.03 C ATOM 1284 CG GLN A 80 0.683 -11.976 -10.144 1.00 4.25 C ATOM 1285 CD GLN A 80 1.965 -12.747 -9.894 1.00 53.50 C ATOM 1286 OE1 GLN A 80 2.118 -13.402 -8.863 1.00 74.20 O ATOM 1287 NE2 GLN A 80 2.894 -12.672 -10.839 1.00 43.13 N ATOM 0 H GLN A 80 -2.198 -12.974 -10.328 1.00 63.32 H new ATOM 0 HA GLN A 80 -0.061 -14.241 -9.058 1.00 61.11 H new ATOM 0 HB2 GLN A 80 -1.147 -11.431 -9.177 1.00 60.03 H new ATOM 0 HB3 GLN A 80 0.168 -11.789 -8.075 1.00 60.03 H new ATOM 0 HG2 GLN A 80 0.222 -12.334 -11.065 1.00 4.25 H new ATOM 0 HG3 GLN A 80 0.920 -10.923 -10.295 1.00 4.25 H new ATOM 0 HE21 GLN A 80 2.725 -12.117 -11.678 1.00 43.13 H new ATOM 0 HE22 GLN A 80 3.777 -13.169 -10.726 1.00 43.13 H new