USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 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 Set 1.1: A 21 LYS NZ :NH3+ 141:sc= -0.156 (180deg=-2.06!) USER MOD Set 1.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 24:sc= 0.144 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.68) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc=-0.00889 (180deg=-0.143) USER MOD Single : A 14 MET CE :methyl -121:sc= -6.42! (180deg=-16.2!) USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= -3.04 (180deg=-7.05!) USER MOD Single : A 20 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -2.07! USER MOD Single : A 37 LYS NZ :NH3+ 167:sc=-0.00374 (180deg=-0.113) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 31:sc= 0.88 USER MOD Single : A 47 MET CE :methyl -164:sc= -0.296 (180deg=-0.745) USER MOD Single : A 48 MET CE :methyl -132:sc= -2.7! (180deg=-4.01!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.035 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0579 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 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 3.112 -4.838 -7.326 1.00 3.21 N ATOM 44 CA THR A 4 2.424 -5.246 -8.544 1.00 63.11 C ATOM 45 C THR A 4 2.260 -4.072 -9.503 1.00 21.34 C ATOM 46 O THR A 4 2.108 -4.261 -10.710 1.00 14.24 O ATOM 47 CB THR A 4 1.037 -5.839 -8.234 1.00 13.22 C ATOM 48 OG1 THR A 4 1.155 -6.876 -7.253 1.00 50.34 O ATOM 49 CG2 THR A 4 0.392 -6.396 -9.494 1.00 24.40 C ATOM 0 HA THR A 4 3.041 -6.012 -9.014 1.00 63.11 H new ATOM 0 HB THR A 4 0.405 -5.041 -7.844 1.00 13.22 H new ATOM 0 HG1 THR A 4 1.972 -6.740 -6.729 1.00 50.34 H new ATOM 0 HG21 THR A 4 -0.587 -6.809 -9.250 1.00 24.40 H new ATOM 0 HG22 THR A 4 0.276 -5.598 -10.227 1.00 24.40 H new ATOM 0 HG23 THR A 4 1.024 -7.181 -9.910 1.00 24.40 H new ATOM 57 N ASP A 5 2.293 -2.861 -8.958 1.00 70.02 N ATOM 58 CA ASP A 5 2.150 -1.655 -9.766 1.00 74.41 C ATOM 59 C ASP A 5 3.125 -1.668 -10.939 1.00 72.10 C ATOM 60 O ASP A 5 2.774 -1.289 -12.057 1.00 0.35 O ATOM 61 CB ASP A 5 2.380 -0.410 -8.908 1.00 64.42 C ATOM 62 CG ASP A 5 1.642 0.803 -9.438 1.00 62.03 C ATOM 63 OD1 ASP A 5 2.213 1.522 -10.285 1.00 70.24 O ATOM 64 OD2 ASP A 5 0.493 1.033 -9.007 1.00 5.43 O ATOM 0 H ASP A 5 2.417 -2.688 -7.960 1.00 70.02 H new ATOM 0 HA ASP A 5 1.135 -1.631 -10.162 1.00 74.41 H new ATOM 0 HB2 ASP A 5 2.056 -0.611 -7.887 1.00 64.42 H new ATOM 0 HB3 ASP A 5 3.447 -0.193 -8.867 1.00 64.42 H new ATOM 69 N LYS A 6 4.352 -2.106 -10.677 1.00 53.00 N ATOM 70 CA LYS A 6 5.379 -2.169 -11.710 1.00 10.22 C ATOM 71 C LYS A 6 4.916 -3.021 -12.887 1.00 13.00 C ATOM 72 O LYS A 6 5.166 -2.685 -14.045 1.00 0.12 O ATOM 73 CB LYS A 6 6.677 -2.739 -11.133 1.00 73.21 C ATOM 74 CG LYS A 6 7.660 -1.674 -10.679 1.00 31.45 C ATOM 75 CD LYS A 6 8.460 -1.120 -11.845 1.00 50.42 C ATOM 76 CE LYS A 6 7.832 0.151 -12.398 1.00 31.33 C ATOM 77 NZ LYS A 6 8.859 1.104 -12.900 1.00 44.22 N ATOM 0 H LYS A 6 4.659 -2.423 -9.757 1.00 53.00 H new ATOM 0 HA LYS A 6 5.562 -1.156 -12.068 1.00 10.22 H new ATOM 0 HB2 LYS A 6 6.437 -3.384 -10.288 1.00 73.21 H new ATOM 0 HB3 LYS A 6 7.155 -3.366 -11.886 1.00 73.21 H new ATOM 0 HG2 LYS A 6 7.120 -0.864 -10.190 1.00 31.45 H new ATOM 0 HG3 LYS A 6 8.339 -2.097 -9.939 1.00 31.45 H new ATOM 0 HD2 LYS A 6 9.480 -0.912 -11.522 1.00 50.42 H new ATOM 0 HD3 LYS A 6 8.522 -1.870 -12.634 1.00 50.42 H new ATOM 0 HE2 LYS A 6 7.147 -0.104 -13.207 1.00 31.33 H new ATOM 0 HE3 LYS A 6 7.240 0.632 -11.619 1.00 31.33 H new ATOM 0 HZ1 LYS A 6 8.391 1.957 -13.268 1.00 44.22 H new ATOM 0 HZ2 LYS A 6 9.497 1.368 -12.122 1.00 44.22 H new ATOM 0 HZ3 LYS A 6 9.407 0.654 -13.661 1.00 44.22 H new ATOM 91 N ILE A 7 4.239 -4.123 -12.583 1.00 74.23 N ATOM 92 CA ILE A 7 3.739 -5.021 -13.617 1.00 35.10 C ATOM 93 C ILE A 7 2.889 -4.268 -14.635 1.00 33.21 C ATOM 94 O ILE A 7 2.909 -4.579 -15.825 1.00 40.14 O ATOM 95 CB ILE A 7 2.903 -6.165 -13.013 1.00 13.11 C ATOM 96 CG1 ILE A 7 3.728 -6.941 -11.984 1.00 40.42 C ATOM 97 CG2 ILE A 7 2.405 -7.094 -14.110 1.00 41.11 C ATOM 98 CD1 ILE A 7 2.909 -7.907 -11.157 1.00 63.35 C ATOM 0 H ILE A 7 4.024 -4.416 -11.630 1.00 74.23 H new ATOM 0 HA ILE A 7 4.611 -5.444 -14.117 1.00 35.10 H new ATOM 0 HB ILE A 7 2.038 -5.735 -12.508 1.00 13.11 H new ATOM 0 HG12 ILE A 7 4.513 -7.493 -12.501 1.00 40.42 H new ATOM 0 HG13 ILE A 7 4.222 -6.233 -11.318 1.00 40.42 H new ATOM 0 HG21 ILE A 7 1.816 -7.897 -13.667 1.00 41.11 H new ATOM 0 HG22 ILE A 7 1.785 -6.532 -14.809 1.00 41.11 H new ATOM 0 HG23 ILE A 7 3.257 -7.519 -14.641 1.00 41.11 H new ATOM 0 HD11 ILE A 7 3.559 -8.422 -10.449 1.00 63.35 H new ATOM 0 HD12 ILE A 7 2.141 -7.359 -10.612 1.00 63.35 H new ATOM 0 HD13 ILE A 7 2.436 -8.638 -11.813 1.00 63.35 H new ATOM 110 N GLU A 8 2.144 -3.276 -14.158 1.00 11.23 N ATOM 111 CA GLU A 8 1.288 -2.478 -15.027 1.00 54.23 C ATOM 112 C GLU A 8 2.079 -1.921 -16.208 1.00 34.52 C ATOM 113 O GLU A 8 1.693 -2.097 -17.363 1.00 43.03 O ATOM 114 CB GLU A 8 0.651 -1.331 -14.240 1.00 12.20 C ATOM 115 CG GLU A 8 -0.441 -0.601 -15.004 1.00 35.03 C ATOM 116 CD GLU A 8 -0.957 0.617 -14.263 1.00 11.33 C ATOM 117 OE1 GLU A 8 -0.250 1.647 -14.251 1.00 54.02 O ATOM 118 OE2 GLU A 8 -2.066 0.541 -13.694 1.00 53.44 O ATOM 0 H GLU A 8 2.116 -3.006 -13.175 1.00 11.23 H new ATOM 0 HA GLU A 8 0.501 -3.126 -15.412 1.00 54.23 H new ATOM 0 HB2 GLU A 8 0.233 -1.725 -13.314 1.00 12.20 H new ATOM 0 HB3 GLU A 8 1.427 -0.618 -13.962 1.00 12.20 H new ATOM 0 HG2 GLU A 8 -0.056 -0.294 -15.976 1.00 35.03 H new ATOM 0 HG3 GLU A 8 -1.268 -1.286 -15.191 1.00 35.03 H new ATOM 125 N GLN A 9 3.185 -1.250 -15.907 1.00 44.10 N ATOM 126 CA GLN A 9 4.030 -0.667 -16.943 1.00 13.31 C ATOM 127 C GLN A 9 4.969 -1.713 -17.533 1.00 22.33 C ATOM 128 O GLN A 9 5.492 -1.544 -18.635 1.00 15.03 O ATOM 129 CB GLN A 9 4.839 0.500 -16.374 1.00 23.33 C ATOM 130 CG GLN A 9 5.250 1.523 -17.420 1.00 50.11 C ATOM 131 CD GLN A 9 6.595 1.211 -18.045 1.00 63.13 C ATOM 132 OE1 GLN A 9 6.675 0.810 -19.207 1.00 31.32 O ATOM 133 NE2 GLN A 9 7.662 1.394 -17.277 1.00 24.14 N ATOM 0 H GLN A 9 3.517 -1.096 -14.955 1.00 44.10 H new ATOM 0 HA GLN A 9 3.383 -0.297 -17.739 1.00 13.31 H new ATOM 0 HB2 GLN A 9 4.250 0.997 -15.603 1.00 23.33 H new ATOM 0 HB3 GLN A 9 5.734 0.109 -15.889 1.00 23.33 H new ATOM 0 HG2 GLN A 9 4.491 1.563 -18.201 1.00 50.11 H new ATOM 0 HG3 GLN A 9 5.287 2.511 -16.961 1.00 50.11 H new ATOM 0 HE21 GLN A 9 7.550 1.728 -16.320 1.00 24.14 H new ATOM 0 HE22 GLN A 9 8.594 1.201 -17.644 1.00 24.14 H new ATOM 142 N LYS A 10 5.181 -2.796 -16.792 1.00 12.23 N ATOM 143 CA LYS A 10 6.057 -3.872 -17.241 1.00 13.55 C ATOM 144 C LYS A 10 5.346 -4.765 -18.252 1.00 65.23 C ATOM 145 O LYS A 10 5.947 -5.680 -18.817 1.00 12.30 O ATOM 146 CB LYS A 10 6.525 -4.707 -16.047 1.00 5.20 C ATOM 147 CG LYS A 10 7.866 -5.386 -16.269 1.00 10.33 C ATOM 148 CD LYS A 10 8.090 -6.515 -15.277 1.00 72.22 C ATOM 149 CE LYS A 10 8.072 -6.009 -13.843 1.00 21.41 C ATOM 150 NZ LYS A 10 9.174 -5.042 -13.582 1.00 70.12 N ATOM 0 H LYS A 10 4.758 -2.952 -15.877 1.00 12.23 H new ATOM 0 HA LYS A 10 6.924 -3.424 -17.725 1.00 13.55 H new ATOM 0 HB2 LYS A 10 6.593 -4.064 -15.169 1.00 5.20 H new ATOM 0 HB3 LYS A 10 5.774 -5.466 -15.829 1.00 5.20 H new ATOM 0 HG2 LYS A 10 7.912 -5.778 -17.285 1.00 10.33 H new ATOM 0 HG3 LYS A 10 8.667 -4.652 -16.174 1.00 10.33 H new ATOM 0 HD2 LYS A 10 7.317 -7.273 -15.406 1.00 72.22 H new ATOM 0 HD3 LYS A 10 9.046 -6.996 -15.482 1.00 72.22 H new ATOM 0 HE2 LYS A 10 7.114 -5.531 -13.638 1.00 21.41 H new ATOM 0 HE3 LYS A 10 8.160 -6.853 -13.159 1.00 21.41 H new ATOM 0 HZ1 LYS A 10 9.244 -4.864 -12.560 1.00 70.12 H new ATOM 0 HZ2 LYS A 10 10.072 -5.437 -13.927 1.00 70.12 H new ATOM 0 HZ3 LYS A 10 8.976 -4.149 -14.077 1.00 70.12 H new ATOM 164 N VAL A 11 4.065 -4.494 -18.478 1.00 11.21 N ATOM 165 CA VAL A 11 3.274 -5.272 -19.424 1.00 13.42 C ATOM 166 C VAL A 11 3.769 -5.069 -20.851 1.00 54.05 C ATOM 167 O VAL A 11 3.652 -5.961 -21.692 1.00 21.41 O ATOM 168 CB VAL A 11 1.782 -4.895 -19.351 1.00 30.01 C ATOM 169 CG1 VAL A 11 1.558 -3.492 -19.895 1.00 70.42 C ATOM 170 CG2 VAL A 11 0.939 -5.910 -20.107 1.00 70.45 C ATOM 0 H VAL A 11 3.552 -3.741 -18.019 1.00 11.21 H new ATOM 0 HA VAL A 11 3.390 -6.320 -19.148 1.00 13.42 H new ATOM 0 HB VAL A 11 1.473 -4.907 -18.306 1.00 30.01 H new ATOM 0 HG11 VAL A 11 0.498 -3.243 -19.835 1.00 70.42 H new ATOM 0 HG12 VAL A 11 2.132 -2.777 -19.305 1.00 70.42 H new ATOM 0 HG13 VAL A 11 1.883 -3.449 -20.935 1.00 70.42 H new ATOM 0 HG21 VAL A 11 -0.112 -5.628 -20.045 1.00 70.45 H new ATOM 0 HG22 VAL A 11 1.248 -5.933 -21.152 1.00 70.45 H new ATOM 0 HG23 VAL A 11 1.076 -6.897 -19.666 1.00 70.45 H new ATOM 180 N ILE A 12 4.321 -3.891 -21.118 1.00 43.45 N ATOM 181 CA ILE A 12 4.836 -3.572 -22.444 1.00 54.54 C ATOM 182 C ILE A 12 6.120 -4.341 -22.736 1.00 15.11 C ATOM 183 O ILE A 12 6.350 -4.778 -23.863 1.00 1.31 O ATOM 184 CB ILE A 12 5.109 -2.063 -22.594 1.00 60.33 C ATOM 185 CG1 ILE A 12 5.633 -1.755 -23.998 1.00 43.13 C ATOM 186 CG2 ILE A 12 6.100 -1.597 -21.539 1.00 24.34 C ATOM 187 CD1 ILE A 12 6.095 -0.325 -24.170 1.00 41.32 C ATOM 0 H ILE A 12 4.423 -3.141 -20.434 1.00 43.45 H new ATOM 0 HA ILE A 12 4.068 -3.867 -23.159 1.00 54.54 H new ATOM 0 HB ILE A 12 4.173 -1.523 -22.449 1.00 60.33 H new ATOM 0 HG12 ILE A 12 6.462 -2.426 -24.223 1.00 43.13 H new ATOM 0 HG13 ILE A 12 4.848 -1.964 -24.724 1.00 43.13 H new ATOM 0 HG21 ILE A 12 6.283 -0.529 -21.658 1.00 24.34 H new ATOM 0 HG22 ILE A 12 5.691 -1.787 -20.547 1.00 24.34 H new ATOM 0 HG23 ILE A 12 7.038 -2.141 -21.655 1.00 24.34 H new ATOM 0 HD11 ILE A 12 6.453 -0.178 -25.189 1.00 41.32 H new ATOM 0 HD12 ILE A 12 5.263 0.352 -23.977 1.00 41.32 H new ATOM 0 HD13 ILE A 12 6.902 -0.117 -23.468 1.00 41.32 H new ATOM 199 N GLU A 13 6.951 -4.504 -21.711 1.00 71.04 N ATOM 200 CA GLU A 13 8.211 -5.222 -21.858 1.00 64.22 C ATOM 201 C GLU A 13 7.972 -6.725 -21.967 1.00 73.31 C ATOM 202 O GLU A 13 8.803 -7.460 -22.500 1.00 10.20 O ATOM 203 CB GLU A 13 9.134 -4.926 -20.674 1.00 34.24 C ATOM 204 CG GLU A 13 10.592 -5.258 -20.940 1.00 42.11 C ATOM 205 CD GLU A 13 11.526 -4.653 -19.910 1.00 12.42 C ATOM 206 OE1 GLU A 13 11.279 -3.503 -19.490 1.00 10.35 O ATOM 207 OE2 GLU A 13 12.503 -5.328 -19.524 1.00 54.01 O ATOM 0 H GLU A 13 6.774 -4.149 -20.771 1.00 71.04 H new ATOM 0 HA GLU A 13 8.689 -4.880 -22.776 1.00 64.22 H new ATOM 0 HB2 GLU A 13 9.052 -3.870 -20.416 1.00 34.24 H new ATOM 0 HB3 GLU A 13 8.793 -5.493 -19.808 1.00 34.24 H new ATOM 0 HG2 GLU A 13 10.718 -6.341 -20.948 1.00 42.11 H new ATOM 0 HG3 GLU A 13 10.868 -4.898 -21.931 1.00 42.11 H new ATOM 214 N MET A 14 6.830 -7.175 -21.458 1.00 15.24 N ATOM 215 CA MET A 14 6.480 -8.590 -21.498 1.00 52.00 C ATOM 216 C MET A 14 6.058 -9.006 -22.904 1.00 4.12 C ATOM 217 O MET A 14 6.702 -9.847 -23.532 1.00 55.11 O ATOM 218 CB MET A 14 5.353 -8.887 -20.506 1.00 64.44 C ATOM 219 CG MET A 14 4.981 -10.359 -20.433 1.00 25.43 C ATOM 220 SD MET A 14 6.089 -11.303 -19.368 1.00 31.13 S ATOM 221 CE MET A 14 7.094 -12.146 -20.587 1.00 23.11 C ATOM 0 H MET A 14 6.131 -6.580 -21.013 1.00 15.24 H new ATOM 0 HA MET A 14 7.362 -9.165 -21.217 1.00 52.00 H new ATOM 0 HB2 MET A 14 5.653 -8.547 -19.515 1.00 64.44 H new ATOM 0 HB3 MET A 14 4.471 -8.311 -20.787 1.00 64.44 H new ATOM 0 HG2 MET A 14 3.960 -10.454 -20.064 1.00 25.43 H new ATOM 0 HG3 MET A 14 4.998 -10.784 -21.436 1.00 25.43 H new ATOM 0 HE1 MET A 14 7.003 -13.224 -20.451 1.00 23.11 H new ATOM 0 HE2 MET A 14 6.755 -11.876 -21.587 1.00 23.11 H new ATOM 0 HE3 MET A 14 8.136 -11.852 -20.466 1.00 23.11 H new ATOM 231 N VAL A 15 4.974 -8.412 -23.392 1.00 41.20 N ATOM 232 CA VAL A 15 4.468 -8.720 -24.724 1.00 35.30 C ATOM 233 C VAL A 15 5.558 -8.559 -25.778 1.00 15.35 C ATOM 234 O VAL A 15 5.655 -9.354 -26.712 1.00 11.14 O ATOM 235 CB VAL A 15 3.274 -7.819 -25.093 1.00 63.22 C ATOM 236 CG1 VAL A 15 2.760 -8.158 -26.484 1.00 54.40 C ATOM 237 CG2 VAL A 15 2.167 -7.952 -24.059 1.00 33.11 C ATOM 0 H VAL A 15 4.429 -7.715 -22.885 1.00 41.20 H new ATOM 0 HA VAL A 15 4.137 -9.758 -24.704 1.00 35.30 H new ATOM 0 HB VAL A 15 3.611 -6.782 -25.099 1.00 63.22 H new ATOM 0 HG11 VAL A 15 1.917 -7.512 -26.728 1.00 54.40 H new ATOM 0 HG12 VAL A 15 3.556 -8.006 -27.213 1.00 54.40 H new ATOM 0 HG13 VAL A 15 2.438 -9.199 -26.509 1.00 54.40 H new ATOM 0 HG21 VAL A 15 1.332 -7.309 -24.336 1.00 33.11 H new ATOM 0 HG22 VAL A 15 1.830 -8.988 -24.018 1.00 33.11 H new ATOM 0 HG23 VAL A 15 2.545 -7.655 -23.081 1.00 33.11 H new ATOM 247 N ALA A 16 6.376 -7.524 -25.620 1.00 42.30 N ATOM 248 CA ALA A 16 7.462 -7.259 -26.556 1.00 55.23 C ATOM 249 C ALA A 16 8.427 -8.437 -26.626 1.00 35.42 C ATOM 250 O ALA A 16 9.137 -8.612 -27.615 1.00 53.44 O ATOM 251 CB ALA A 16 8.202 -5.990 -26.160 1.00 64.22 C ATOM 0 H ALA A 16 6.308 -6.855 -24.853 1.00 42.30 H new ATOM 0 HA ALA A 16 7.029 -7.120 -27.546 1.00 55.23 H new ATOM 0 HB1 ALA A 16 9.010 -5.804 -26.867 1.00 64.22 H new ATOM 0 HB2 ALA A 16 7.510 -5.147 -26.170 1.00 64.22 H new ATOM 0 HB3 ALA A 16 8.616 -6.108 -25.159 1.00 64.22 H new ATOM 257 N GLU A 17 8.447 -9.243 -25.568 1.00 72.04 N ATOM 258 CA GLU A 17 9.327 -10.404 -25.510 1.00 73.35 C ATOM 259 C GLU A 17 8.546 -11.691 -25.763 1.00 24.34 C ATOM 260 O GLU A 17 9.113 -12.705 -26.170 1.00 64.24 O ATOM 261 CB GLU A 17 10.024 -10.476 -24.151 1.00 24.04 C ATOM 262 CG GLU A 17 11.404 -11.110 -24.207 1.00 21.00 C ATOM 263 CD GLU A 17 12.424 -10.227 -24.900 1.00 72.52 C ATOM 264 OE1 GLU A 17 12.627 -9.084 -24.442 1.00 13.44 O ATOM 265 OE2 GLU A 17 13.018 -10.680 -25.901 1.00 5.14 O ATOM 0 H GLU A 17 7.864 -9.113 -24.741 1.00 72.04 H new ATOM 0 HA GLU A 17 10.080 -10.297 -26.291 1.00 73.35 H new ATOM 0 HB2 GLU A 17 10.112 -9.469 -23.744 1.00 24.04 H new ATOM 0 HB3 GLU A 17 9.400 -11.045 -23.462 1.00 24.04 H new ATOM 0 HG2 GLU A 17 11.743 -11.324 -23.193 1.00 21.00 H new ATOM 0 HG3 GLU A 17 11.340 -12.064 -24.730 1.00 21.00 H new ATOM 272 N LYS A 18 7.242 -11.643 -25.516 1.00 53.13 N ATOM 273 CA LYS A 18 6.381 -12.803 -25.716 1.00 42.13 C ATOM 274 C LYS A 18 6.382 -13.235 -27.179 1.00 70.02 C ATOM 275 O LYS A 18 6.712 -14.378 -27.499 1.00 44.45 O ATOM 276 CB LYS A 18 4.953 -12.487 -25.267 1.00 74.44 C ATOM 277 CG LYS A 18 4.013 -13.678 -25.349 1.00 13.23 C ATOM 278 CD LYS A 18 3.157 -13.628 -26.603 1.00 52.12 C ATOM 279 CE LYS A 18 2.375 -14.918 -26.796 1.00 74.00 C ATOM 280 NZ LYS A 18 3.187 -15.962 -27.480 1.00 73.03 N ATOM 0 H LYS A 18 6.757 -10.812 -25.176 1.00 53.13 H new ATOM 0 HA LYS A 18 6.772 -13.623 -25.113 1.00 42.13 H new ATOM 0 HB2 LYS A 18 4.976 -12.123 -24.240 1.00 74.44 H new ATOM 0 HB3 LYS A 18 4.558 -11.679 -25.883 1.00 74.44 H new ATOM 0 HG2 LYS A 18 4.592 -14.601 -25.340 1.00 13.23 H new ATOM 0 HG3 LYS A 18 3.370 -13.696 -24.469 1.00 13.23 H new ATOM 0 HD2 LYS A 18 2.465 -12.788 -26.539 1.00 52.12 H new ATOM 0 HD3 LYS A 18 3.792 -13.453 -27.471 1.00 52.12 H new ATOM 0 HE2 LYS A 18 2.046 -15.292 -25.826 1.00 74.00 H new ATOM 0 HE3 LYS A 18 1.478 -14.715 -27.381 1.00 74.00 H new ATOM 0 HZ1 LYS A 18 2.627 -16.392 -28.244 1.00 73.03 H new ATOM 0 HZ2 LYS A 18 4.043 -15.529 -27.880 1.00 73.03 H new ATOM 0 HZ3 LYS A 18 3.458 -16.695 -26.794 1.00 73.03 H new ATOM 294 N LEU A 19 6.012 -12.315 -28.063 1.00 73.12 N ATOM 295 CA LEU A 19 5.971 -12.601 -29.493 1.00 42.32 C ATOM 296 C LEU A 19 6.983 -11.745 -30.248 1.00 63.02 C ATOM 297 O LEU A 19 6.863 -11.545 -31.456 1.00 41.01 O ATOM 298 CB LEU A 19 4.566 -12.353 -30.043 1.00 55.22 C ATOM 299 CG LEU A 19 4.026 -13.410 -31.006 1.00 75.55 C ATOM 300 CD1 LEU A 19 5.033 -13.690 -32.111 1.00 74.21 C ATOM 301 CD2 LEU A 19 3.684 -14.690 -30.257 1.00 2.02 C ATOM 0 H LEU A 19 5.736 -11.365 -27.815 1.00 73.12 H new ATOM 0 HA LEU A 19 6.230 -13.650 -29.636 1.00 42.32 H new ATOM 0 HB2 LEU A 19 3.878 -12.271 -29.202 1.00 55.22 H new ATOM 0 HB3 LEU A 19 4.562 -11.390 -30.553 1.00 55.22 H new ATOM 0 HG LEU A 19 3.114 -13.025 -31.462 1.00 75.55 H new ATOM 0 HD11 LEU A 19 4.631 -14.445 -32.787 1.00 74.21 H new ATOM 0 HD12 LEU A 19 5.228 -12.773 -32.666 1.00 74.21 H new ATOM 0 HD13 LEU A 19 5.962 -14.053 -31.673 1.00 74.21 H new ATOM 0 HD21 LEU A 19 3.301 -15.431 -30.959 1.00 2.02 H new ATOM 0 HD22 LEU A 19 4.580 -15.078 -29.772 1.00 2.02 H new ATOM 0 HD23 LEU A 19 2.926 -14.479 -29.503 1.00 2.02 H new ATOM 313 N ASN A 20 7.982 -11.244 -29.528 1.00 35.23 N ATOM 314 CA ASN A 20 9.016 -10.411 -30.130 1.00 61.21 C ATOM 315 C ASN A 20 8.399 -9.227 -30.869 1.00 65.40 C ATOM 316 O ASN A 20 8.542 -9.098 -32.085 1.00 53.41 O ATOM 317 CB ASN A 20 9.870 -11.239 -31.093 1.00 2.24 C ATOM 318 CG ASN A 20 11.093 -10.483 -31.576 1.00 61.50 C ATOM 319 OD1 ASN A 20 11.403 -9.400 -31.080 1.00 62.04 O ATOM 320 ND2 ASN A 20 11.794 -11.054 -32.549 1.00 2.30 N ATOM 0 H ASN A 20 8.097 -11.401 -28.527 1.00 35.23 H new ATOM 0 HA ASN A 20 9.650 -10.027 -29.331 1.00 61.21 H new ATOM 0 HB2 ASN A 20 10.186 -12.157 -30.597 1.00 2.24 H new ATOM 0 HB3 ASN A 20 9.265 -11.532 -31.951 1.00 2.24 H new ATOM 0 HD21 ASN A 20 12.627 -10.593 -32.915 1.00 2.30 H new ATOM 0 HD22 ASN A 20 11.499 -11.953 -32.930 1.00 2.30 H new ATOM 327 N LYS A 21 7.714 -8.365 -30.126 1.00 21.11 N ATOM 328 CA LYS A 21 7.077 -7.190 -30.708 1.00 73.13 C ATOM 329 C LYS A 21 7.781 -5.912 -30.264 1.00 21.45 C ATOM 330 O LYS A 21 7.954 -5.672 -29.069 1.00 3.53 O ATOM 331 CB LYS A 21 5.600 -7.136 -30.311 1.00 11.14 C ATOM 332 CG LYS A 21 4.711 -6.487 -31.358 1.00 5.03 C ATOM 333 CD LYS A 21 3.409 -7.249 -31.534 1.00 32.23 C ATOM 334 CE LYS A 21 2.372 -6.826 -30.505 1.00 11.34 C ATOM 335 NZ LYS A 21 1.277 -6.023 -31.118 1.00 24.42 N ATOM 0 H LYS A 21 7.586 -8.458 -29.118 1.00 21.11 H new ATOM 0 HA LYS A 21 7.153 -7.267 -31.793 1.00 73.13 H new ATOM 0 HB2 LYS A 21 5.246 -8.150 -30.124 1.00 11.14 H new ATOM 0 HB3 LYS A 21 5.504 -6.587 -29.374 1.00 11.14 H new ATOM 0 HG2 LYS A 21 4.495 -5.459 -31.067 1.00 5.03 H new ATOM 0 HG3 LYS A 21 5.240 -6.444 -32.310 1.00 5.03 H new ATOM 0 HD2 LYS A 21 3.019 -7.078 -32.537 1.00 32.23 H new ATOM 0 HD3 LYS A 21 3.597 -8.319 -31.444 1.00 32.23 H new ATOM 0 HE2 LYS A 21 1.950 -7.711 -30.029 1.00 11.34 H new ATOM 0 HE3 LYS A 21 2.855 -6.243 -29.721 1.00 11.34 H new ATOM 0 HZ1 LYS A 21 0.368 -6.290 -30.688 1.00 24.42 H new ATOM 0 HZ2 LYS A 21 1.454 -5.012 -30.954 1.00 24.42 H new ATOM 0 HZ3 LYS A 21 1.243 -6.207 -32.141 1.00 24.42 H new ATOM 349 N ASP A 22 8.184 -5.097 -31.232 1.00 14.44 N ATOM 350 CA ASP A 22 8.867 -3.842 -30.939 1.00 52.24 C ATOM 351 C ASP A 22 7.997 -2.939 -30.069 1.00 64.53 C ATOM 352 O ASP A 22 6.769 -3.010 -30.116 1.00 41.31 O ATOM 353 CB ASP A 22 9.232 -3.121 -32.238 1.00 1.11 C ATOM 354 CG ASP A 22 10.460 -2.245 -32.088 1.00 64.00 C ATOM 355 OD1 ASP A 22 11.483 -2.740 -31.569 1.00 32.14 O ATOM 356 OD2 ASP A 22 10.400 -1.065 -32.491 1.00 13.21 O ATOM 0 H ASP A 22 8.050 -5.282 -32.226 1.00 14.44 H new ATOM 0 HA ASP A 22 9.780 -4.073 -30.391 1.00 52.24 H new ATOM 0 HB2 ASP A 22 9.408 -3.858 -33.022 1.00 1.11 H new ATOM 0 HB3 ASP A 22 8.389 -2.509 -32.559 1.00 1.11 H new ATOM 361 N LYS A 23 8.643 -2.092 -29.275 1.00 33.54 N ATOM 362 CA LYS A 23 7.930 -1.175 -28.393 1.00 71.42 C ATOM 363 C LYS A 23 7.027 -0.243 -29.194 1.00 15.02 C ATOM 364 O LYS A 23 6.094 0.350 -28.652 1.00 24.13 O ATOM 365 CB LYS A 23 8.923 -0.355 -27.566 1.00 74.22 C ATOM 366 CG LYS A 23 9.540 0.803 -28.330 1.00 51.15 C ATOM 367 CD LYS A 23 10.432 0.314 -29.459 1.00 5.22 C ATOM 368 CE LYS A 23 11.391 1.401 -29.922 1.00 20.51 C ATOM 369 NZ LYS A 23 12.587 1.497 -29.040 1.00 43.33 N ATOM 0 H LYS A 23 9.659 -2.021 -29.224 1.00 33.54 H new ATOM 0 HA LYS A 23 7.308 -1.766 -27.721 1.00 71.42 H new ATOM 0 HB2 LYS A 23 8.415 0.033 -26.683 1.00 74.22 H new ATOM 0 HB3 LYS A 23 9.718 -1.011 -27.213 1.00 74.22 H new ATOM 0 HG2 LYS A 23 8.750 1.434 -28.737 1.00 51.15 H new ATOM 0 HG3 LYS A 23 10.122 1.422 -27.647 1.00 51.15 H new ATOM 0 HD2 LYS A 23 10.999 -0.555 -29.126 1.00 5.22 H new ATOM 0 HD3 LYS A 23 9.815 -0.010 -30.297 1.00 5.22 H new ATOM 0 HE2 LYS A 23 11.709 1.194 -30.944 1.00 20.51 H new ATOM 0 HE3 LYS A 23 10.873 2.360 -29.937 1.00 20.51 H new ATOM 0 HZ1 LYS A 23 13.216 2.248 -29.388 1.00 43.33 H new ATOM 0 HZ2 LYS A 23 12.286 1.720 -28.070 1.00 43.33 H new ATOM 0 HZ3 LYS A 23 13.096 0.590 -29.045 1.00 43.33 H new ATOM 383 N ALA A 24 7.308 -0.119 -30.487 1.00 24.43 N ATOM 384 CA ALA A 24 6.519 0.738 -31.362 1.00 70.11 C ATOM 385 C ALA A 24 5.340 -0.023 -31.958 1.00 73.21 C ATOM 386 O ALA A 24 4.571 0.525 -32.749 1.00 31.05 O ATOM 387 CB ALA A 24 7.393 1.311 -32.468 1.00 20.11 C ATOM 0 H ALA A 24 8.077 -0.602 -30.952 1.00 24.43 H new ATOM 0 HA ALA A 24 6.123 1.559 -30.764 1.00 70.11 H new ATOM 0 HB1 ALA A 24 6.790 1.949 -33.114 1.00 20.11 H new ATOM 0 HB2 ALA A 24 8.199 1.898 -32.028 1.00 20.11 H new ATOM 0 HB3 ALA A 24 7.817 0.497 -33.056 1.00 20.11 H new ATOM 393 N ILE A 25 5.203 -1.288 -31.575 1.00 65.20 N ATOM 394 CA ILE A 25 4.117 -2.124 -32.072 1.00 3.41 C ATOM 395 C ILE A 25 3.210 -2.580 -30.934 1.00 41.22 C ATOM 396 O ILE A 25 2.055 -2.945 -31.156 1.00 64.43 O ATOM 397 CB ILE A 25 4.654 -3.362 -32.814 1.00 13.11 C ATOM 398 CG1 ILE A 25 5.521 -2.937 -34.000 1.00 43.52 C ATOM 399 CG2 ILE A 25 3.502 -4.240 -33.281 1.00 1.32 C ATOM 400 CD1 ILE A 25 6.705 -3.847 -34.240 1.00 61.12 C ATOM 0 H ILE A 25 5.831 -1.757 -30.922 1.00 65.20 H new ATOM 0 HA ILE A 25 3.542 -1.514 -32.769 1.00 3.41 H new ATOM 0 HB ILE A 25 5.271 -3.940 -32.126 1.00 13.11 H new ATOM 0 HG12 ILE A 25 4.905 -2.911 -34.899 1.00 43.52 H new ATOM 0 HG13 ILE A 25 5.881 -1.922 -33.831 1.00 43.52 H new ATOM 0 HG21 ILE A 25 3.897 -5.111 -33.804 1.00 1.32 H new ATOM 0 HG22 ILE A 25 2.921 -4.567 -32.419 1.00 1.32 H new ATOM 0 HG23 ILE A 25 2.862 -3.672 -33.956 1.00 1.32 H new ATOM 0 HD11 ILE A 25 7.275 -3.485 -35.096 1.00 61.12 H new ATOM 0 HD12 ILE A 25 7.343 -3.854 -33.356 1.00 61.12 H new ATOM 0 HD13 ILE A 25 6.352 -4.858 -34.441 1.00 61.12 H new ATOM 412 N ILE A 26 3.740 -2.554 -29.716 1.00 32.21 N ATOM 413 CA ILE A 26 2.977 -2.962 -28.543 1.00 32.40 C ATOM 414 C ILE A 26 1.626 -2.257 -28.494 1.00 34.55 C ATOM 415 O ILE A 26 1.551 -1.046 -28.282 1.00 62.51 O ATOM 416 CB ILE A 26 3.745 -2.668 -27.241 1.00 50.51 C ATOM 417 CG1 ILE A 26 5.082 -3.411 -27.233 1.00 5.41 C ATOM 418 CG2 ILE A 26 2.908 -3.059 -26.032 1.00 42.42 C ATOM 419 CD1 ILE A 26 4.938 -4.914 -27.151 1.00 31.15 C ATOM 0 H ILE A 26 4.694 -2.255 -29.516 1.00 32.21 H new ATOM 0 HA ILE A 26 2.820 -4.037 -28.627 1.00 32.40 H new ATOM 0 HB ILE A 26 3.945 -1.598 -27.189 1.00 50.51 H new ATOM 0 HG12 ILE A 26 5.635 -3.156 -28.137 1.00 5.41 H new ATOM 0 HG13 ILE A 26 5.676 -3.064 -26.387 1.00 5.41 H new ATOM 0 HG21 ILE A 26 3.465 -2.845 -25.120 1.00 42.42 H new ATOM 0 HG22 ILE A 26 1.979 -2.489 -26.033 1.00 42.42 H new ATOM 0 HG23 ILE A 26 2.680 -4.124 -26.077 1.00 42.42 H new ATOM 0 HD11 ILE A 26 5.926 -5.375 -27.150 1.00 31.15 H new ATOM 0 HD12 ILE A 26 4.413 -5.180 -26.234 1.00 31.15 H new ATOM 0 HD13 ILE A 26 4.372 -5.273 -28.010 1.00 31.15 H new ATOM 431 N THR A 27 0.557 -3.024 -28.688 1.00 52.24 N ATOM 432 CA THR A 27 -0.793 -2.474 -28.665 1.00 44.35 C ATOM 433 C THR A 27 -1.601 -3.048 -27.508 1.00 21.22 C ATOM 434 O THR A 27 -1.246 -4.083 -26.942 1.00 14.12 O ATOM 435 CB THR A 27 -1.536 -2.754 -29.985 1.00 32.40 C ATOM 436 OG1 THR A 27 -1.342 -4.118 -30.376 1.00 62.13 O ATOM 437 CG2 THR A 27 -1.047 -1.830 -31.089 1.00 45.23 C ATOM 0 H THR A 27 0.600 -4.028 -28.863 1.00 52.24 H new ATOM 0 HA THR A 27 -0.693 -1.396 -28.535 1.00 44.35 H new ATOM 0 HB THR A 27 -2.598 -2.570 -29.824 1.00 32.40 H new ATOM 0 HG1 THR A 27 -1.819 -4.289 -31.215 1.00 62.13 H new ATOM 0 HG21 THR A 27 -1.587 -2.047 -32.011 1.00 45.23 H new ATOM 0 HG22 THR A 27 -1.223 -0.794 -30.801 1.00 45.23 H new ATOM 0 HG23 THR A 27 0.020 -1.986 -31.248 1.00 45.23 H new ATOM 445 N THR A 28 -2.691 -2.371 -27.159 1.00 63.03 N ATOM 446 CA THR A 28 -3.550 -2.814 -26.068 1.00 44.14 C ATOM 447 C THR A 28 -4.305 -4.083 -26.444 1.00 72.42 C ATOM 448 O THR A 28 -4.650 -4.890 -25.581 1.00 32.42 O ATOM 449 CB THR A 28 -4.564 -1.724 -25.674 1.00 50.00 C ATOM 450 OG1 THR A 28 -5.450 -1.460 -26.768 1.00 20.53 O ATOM 451 CG2 THR A 28 -3.851 -0.442 -25.272 1.00 15.43 C ATOM 0 H THR A 28 -3.000 -1.513 -27.617 1.00 63.03 H new ATOM 0 HA THR A 28 -2.900 -3.020 -25.217 1.00 44.14 H new ATOM 0 HB THR A 28 -5.139 -2.085 -24.821 1.00 50.00 H new ATOM 0 HG1 THR A 28 -6.093 -0.767 -26.509 1.00 20.53 H new ATOM 0 HG21 THR A 28 -4.587 0.313 -24.998 1.00 15.43 H new ATOM 0 HG22 THR A 28 -3.200 -0.640 -24.421 1.00 15.43 H new ATOM 0 HG23 THR A 28 -3.254 -0.080 -26.109 1.00 15.43 H new ATOM 459 N ASP A 29 -4.559 -4.254 -27.737 1.00 22.51 N ATOM 460 CA ASP A 29 -5.273 -5.428 -28.227 1.00 45.23 C ATOM 461 C ASP A 29 -4.339 -6.631 -28.324 1.00 51.51 C ATOM 462 O ASP A 29 -4.785 -7.778 -28.311 1.00 12.33 O ATOM 463 CB ASP A 29 -5.895 -5.138 -29.594 1.00 61.20 C ATOM 464 CG ASP A 29 -6.757 -3.891 -29.585 1.00 70.21 C ATOM 465 OD1 ASP A 29 -7.812 -3.904 -28.917 1.00 12.42 O ATOM 466 OD2 ASP A 29 -6.376 -2.902 -30.246 1.00 32.53 O ATOM 0 H ASP A 29 -4.281 -3.595 -28.464 1.00 22.51 H new ATOM 0 HA ASP A 29 -6.066 -5.663 -27.518 1.00 45.23 H new ATOM 0 HB2 ASP A 29 -5.103 -5.023 -30.333 1.00 61.20 H new ATOM 0 HB3 ASP A 29 -6.499 -5.991 -29.904 1.00 61.20 H new ATOM 471 N SER A 30 -3.042 -6.360 -28.423 1.00 5.33 N ATOM 472 CA SER A 30 -2.045 -7.419 -28.527 1.00 33.51 C ATOM 473 C SER A 30 -2.398 -8.388 -29.652 1.00 43.42 C ATOM 474 O SER A 30 -2.754 -9.540 -29.406 1.00 10.14 O ATOM 475 CB SER A 30 -1.936 -8.177 -27.202 1.00 65.35 C ATOM 476 OG SER A 30 -0.921 -7.626 -26.382 1.00 3.53 O ATOM 0 H SER A 30 -2.657 -5.416 -28.433 1.00 5.33 H new ATOM 0 HA SER A 30 -1.084 -6.959 -28.755 1.00 33.51 H new ATOM 0 HB2 SER A 30 -2.891 -8.140 -26.678 1.00 65.35 H new ATOM 0 HB3 SER A 30 -1.720 -9.227 -27.397 1.00 65.35 H new ATOM 0 HG SER A 30 -0.872 -8.127 -25.541 1.00 3.53 H new ATOM 482 N ARG A 31 -2.295 -7.910 -30.888 1.00 73.54 N ATOM 483 CA ARG A 31 -2.604 -8.732 -32.052 1.00 71.24 C ATOM 484 C ARG A 31 -1.329 -9.286 -32.681 1.00 24.02 C ATOM 485 O ARG A 31 -1.247 -9.458 -33.897 1.00 74.22 O ATOM 486 CB ARG A 31 -3.383 -7.917 -33.087 1.00 5.03 C ATOM 487 CG ARG A 31 -4.796 -7.569 -32.649 1.00 40.15 C ATOM 488 CD ARG A 31 -5.395 -6.475 -33.520 1.00 21.12 C ATOM 489 NE ARG A 31 -5.825 -6.984 -34.819 1.00 40.24 N ATOM 490 CZ ARG A 31 -6.610 -6.307 -35.651 1.00 4.14 C ATOM 491 NH1 ARG A 31 -7.047 -5.100 -35.319 1.00 51.04 N ATOM 492 NH2 ARG A 31 -6.958 -6.837 -36.816 1.00 64.11 N ATOM 0 H ARG A 31 -2.000 -6.959 -31.109 1.00 73.54 H new ATOM 0 HA ARG A 31 -3.219 -9.569 -31.721 1.00 71.24 H new ATOM 0 HB2 ARG A 31 -2.839 -6.996 -33.296 1.00 5.03 H new ATOM 0 HB3 ARG A 31 -3.429 -8.479 -34.020 1.00 5.03 H new ATOM 0 HG2 ARG A 31 -5.423 -8.459 -32.698 1.00 40.15 H new ATOM 0 HG3 ARG A 31 -4.786 -7.243 -31.609 1.00 40.15 H new ATOM 0 HD2 ARG A 31 -6.246 -6.028 -33.006 1.00 21.12 H new ATOM 0 HD3 ARG A 31 -4.659 -5.684 -33.666 1.00 21.12 H new ATOM 0 HE ARG A 31 -5.506 -7.910 -35.104 1.00 40.24 H new ATOM 0 HH11 ARG A 31 -6.781 -4.690 -34.424 1.00 51.04 H new ATOM 0 HH12 ARG A 31 -7.649 -4.582 -35.959 1.00 51.04 H new ATOM 0 HH21 ARG A 31 -6.623 -7.765 -37.074 1.00 64.11 H new ATOM 0 HH22 ARG A 31 -7.560 -6.316 -37.454 1.00 64.11 H new ATOM 506 N PHE A 32 -0.335 -9.563 -31.843 1.00 45.44 N ATOM 507 CA PHE A 32 0.938 -10.095 -32.317 1.00 32.45 C ATOM 508 C PHE A 32 0.719 -11.312 -33.212 1.00 11.52 C ATOM 509 O PHE A 32 1.482 -11.551 -34.148 1.00 71.41 O ATOM 510 CB PHE A 32 1.829 -10.474 -31.132 1.00 34.14 C ATOM 511 CG PHE A 32 1.098 -11.206 -30.042 1.00 62.13 C ATOM 512 CD1 PHE A 32 0.840 -12.563 -30.154 1.00 1.11 C ATOM 513 CD2 PHE A 32 0.670 -10.538 -28.907 1.00 1.33 C ATOM 514 CE1 PHE A 32 0.167 -13.239 -29.153 1.00 44.43 C ATOM 515 CE2 PHE A 32 -0.003 -11.208 -27.903 1.00 23.34 C ATOM 516 CZ PHE A 32 -0.253 -12.561 -28.026 1.00 14.22 C ATOM 0 H PHE A 32 -0.386 -9.428 -30.833 1.00 45.44 H new ATOM 0 HA PHE A 32 1.433 -9.319 -32.902 1.00 32.45 H new ATOM 0 HB2 PHE A 32 2.650 -11.096 -31.489 1.00 34.14 H new ATOM 0 HB3 PHE A 32 2.272 -9.569 -30.717 1.00 34.14 H new ATOM 0 HD1 PHE A 32 1.168 -13.098 -31.033 1.00 1.11 H new ATOM 0 HD2 PHE A 32 0.865 -9.481 -28.805 1.00 1.33 H new ATOM 0 HE1 PHE A 32 -0.030 -14.296 -29.253 1.00 44.43 H new ATOM 0 HE2 PHE A 32 -0.333 -10.675 -27.024 1.00 23.34 H new ATOM 0 HZ PHE A 32 -0.776 -13.088 -27.242 1.00 14.22 H new ATOM 526 N ILE A 33 -0.327 -12.075 -32.917 1.00 35.34 N ATOM 527 CA ILE A 33 -0.647 -13.266 -33.694 1.00 53.24 C ATOM 528 C ILE A 33 -0.811 -12.929 -35.173 1.00 33.24 C ATOM 529 O ILE A 33 -0.327 -13.654 -36.041 1.00 52.12 O ATOM 530 CB ILE A 33 -1.936 -13.940 -33.187 1.00 65.41 C ATOM 531 CG1 ILE A 33 -2.282 -15.149 -34.060 1.00 10.35 C ATOM 532 CG2 ILE A 33 -3.085 -12.944 -33.172 1.00 41.35 C ATOM 533 CD1 ILE A 33 -1.174 -16.175 -34.138 1.00 63.00 C ATOM 0 H ILE A 33 -0.968 -11.890 -32.145 1.00 35.34 H new ATOM 0 HA ILE A 33 0.187 -13.957 -33.571 1.00 53.24 H new ATOM 0 HB ILE A 33 -1.770 -14.287 -32.167 1.00 65.41 H new ATOM 0 HG12 ILE A 33 -3.180 -15.625 -33.667 1.00 10.35 H new ATOM 0 HG13 ILE A 33 -2.518 -14.804 -35.067 1.00 10.35 H new ATOM 0 HG21 ILE A 33 -3.988 -13.436 -32.811 1.00 41.35 H new ATOM 0 HG22 ILE A 33 -2.837 -12.112 -32.513 1.00 41.35 H new ATOM 0 HG23 ILE A 33 -3.255 -12.569 -34.181 1.00 41.35 H new ATOM 0 HD11 ILE A 33 -1.489 -17.003 -34.773 1.00 63.00 H new ATOM 0 HD12 ILE A 33 -0.280 -15.714 -34.559 1.00 63.00 H new ATOM 0 HD13 ILE A 33 -0.953 -16.548 -33.138 1.00 63.00 H new ATOM 545 N GLU A 34 -1.496 -11.824 -35.450 1.00 4.32 N ATOM 546 CA GLU A 34 -1.722 -11.391 -36.824 1.00 11.33 C ATOM 547 C GLU A 34 -0.613 -10.450 -37.288 1.00 33.44 C ATOM 548 O GLU A 34 0.057 -10.709 -38.287 1.00 71.43 O ATOM 549 CB GLU A 34 -3.080 -10.695 -36.946 1.00 23.35 C ATOM 550 CG GLU A 34 -3.497 -10.422 -38.381 1.00 3.33 C ATOM 551 CD GLU A 34 -4.942 -9.977 -38.494 1.00 10.04 C ATOM 552 OE1 GLU A 34 -5.484 -9.459 -37.495 1.00 45.51 O ATOM 553 OE2 GLU A 34 -5.531 -10.147 -39.582 1.00 33.55 O ATOM 0 H GLU A 34 -1.904 -11.213 -34.742 1.00 4.32 H new ATOM 0 HA GLU A 34 -1.716 -12.275 -37.462 1.00 11.33 H new ATOM 0 HB2 GLU A 34 -3.840 -11.313 -36.467 1.00 23.35 H new ATOM 0 HB3 GLU A 34 -3.046 -9.752 -36.401 1.00 23.35 H new ATOM 0 HG2 GLU A 34 -2.850 -9.653 -38.803 1.00 3.33 H new ATOM 0 HG3 GLU A 34 -3.351 -11.324 -38.976 1.00 3.33 H new ATOM 560 N ASP A 35 -0.427 -9.358 -36.555 1.00 21.34 N ATOM 561 CA ASP A 35 0.600 -8.379 -36.889 1.00 44.15 C ATOM 562 C ASP A 35 1.961 -9.050 -37.044 1.00 64.34 C ATOM 563 O ASP A 35 2.614 -8.923 -38.081 1.00 43.41 O ATOM 564 CB ASP A 35 0.672 -7.295 -35.813 1.00 22.02 C ATOM 565 CG ASP A 35 -0.215 -6.106 -36.128 1.00 24.42 C ATOM 566 OD1 ASP A 35 -1.270 -6.306 -36.764 1.00 33.53 O ATOM 567 OD2 ASP A 35 0.148 -4.976 -35.739 1.00 54.02 O ATOM 0 H ASP A 35 -0.974 -9.129 -35.725 1.00 21.34 H new ATOM 0 HA ASP A 35 0.331 -7.919 -37.840 1.00 44.15 H new ATOM 0 HB2 ASP A 35 0.378 -7.720 -34.853 1.00 22.02 H new ATOM 0 HB3 ASP A 35 1.703 -6.958 -35.710 1.00 22.02 H new ATOM 572 N LEU A 36 2.384 -9.765 -36.007 1.00 43.24 N ATOM 573 CA LEU A 36 3.669 -10.456 -36.027 1.00 72.14 C ATOM 574 C LEU A 36 3.556 -11.794 -36.751 1.00 31.11 C ATOM 575 O LEU A 36 4.553 -12.485 -36.960 1.00 70.50 O ATOM 576 CB LEU A 36 4.174 -10.676 -34.600 1.00 41.04 C ATOM 577 CG LEU A 36 5.635 -10.305 -34.341 1.00 33.10 C ATOM 578 CD1 LEU A 36 6.560 -11.135 -35.217 1.00 71.30 C ATOM 579 CD2 LEU A 36 5.859 -8.820 -34.583 1.00 52.40 C ATOM 0 H LEU A 36 1.856 -9.881 -35.142 1.00 43.24 H new ATOM 0 HA LEU A 36 4.382 -9.831 -36.566 1.00 72.14 H new ATOM 0 HB2 LEU A 36 3.547 -10.098 -33.921 1.00 41.04 H new ATOM 0 HB3 LEU A 36 4.036 -11.727 -34.345 1.00 41.04 H new ATOM 0 HG LEU A 36 5.865 -10.522 -33.298 1.00 33.10 H new ATOM 0 HD11 LEU A 36 7.595 -10.857 -35.019 1.00 71.30 H new ATOM 0 HD12 LEU A 36 6.419 -12.193 -34.995 1.00 71.30 H new ATOM 0 HD13 LEU A 36 6.329 -10.951 -36.266 1.00 71.30 H new ATOM 0 HD21 LEU A 36 6.904 -8.574 -34.394 1.00 52.40 H new ATOM 0 HD22 LEU A 36 5.611 -8.578 -35.616 1.00 52.40 H new ATOM 0 HD23 LEU A 36 5.223 -8.242 -33.912 1.00 52.40 H new ATOM 591 N LYS A 37 2.335 -12.153 -37.133 1.00 40.12 N ATOM 592 CA LYS A 37 2.091 -13.406 -37.837 1.00 35.30 C ATOM 593 C LYS A 37 2.721 -14.580 -37.093 1.00 54.44 C ATOM 594 O LYS A 37 3.532 -15.317 -37.652 1.00 42.21 O ATOM 595 CB LYS A 37 2.647 -13.333 -39.261 1.00 4.35 C ATOM 596 CG LYS A 37 1.694 -12.692 -40.254 1.00 41.42 C ATOM 597 CD LYS A 37 0.417 -13.501 -40.404 1.00 21.50 C ATOM 598 CE LYS A 37 -0.430 -12.998 -41.563 1.00 3.34 C ATOM 599 NZ LYS A 37 0.181 -13.326 -42.880 1.00 63.43 N ATOM 0 H LYS A 37 1.499 -11.593 -36.967 1.00 40.12 H new ATOM 0 HA LYS A 37 1.013 -13.563 -37.883 1.00 35.30 H new ATOM 0 HB2 LYS A 37 3.580 -12.769 -39.249 1.00 4.35 H new ATOM 0 HB3 LYS A 37 2.888 -14.341 -39.600 1.00 4.35 H new ATOM 0 HG2 LYS A 37 1.449 -11.682 -39.925 1.00 41.42 H new ATOM 0 HG3 LYS A 37 2.184 -12.601 -41.223 1.00 41.42 H new ATOM 0 HD2 LYS A 37 0.666 -14.550 -40.563 1.00 21.50 H new ATOM 0 HD3 LYS A 37 -0.160 -13.447 -39.481 1.00 21.50 H new ATOM 0 HE2 LYS A 37 -1.425 -13.440 -41.504 1.00 3.34 H new ATOM 0 HE3 LYS A 37 -0.555 -11.918 -41.480 1.00 3.34 H new ATOM 0 HZ1 LYS A 37 -0.517 -13.169 -43.635 1.00 63.43 H new ATOM 0 HZ2 LYS A 37 1.008 -12.716 -43.040 1.00 63.43 H new ATOM 0 HZ3 LYS A 37 0.479 -14.322 -42.886 1.00 63.43 H new ATOM 613 N ALA A 38 2.340 -14.747 -35.831 1.00 62.31 N ATOM 614 CA ALA A 38 2.865 -15.833 -35.013 1.00 24.22 C ATOM 615 C ALA A 38 2.477 -17.191 -35.588 1.00 22.22 C ATOM 616 O ALA A 38 1.491 -17.309 -36.315 1.00 33.01 O ATOM 617 CB ALA A 38 2.368 -15.703 -33.581 1.00 4.24 C ATOM 0 H ALA A 38 1.670 -14.144 -35.353 1.00 62.31 H new ATOM 0 HA ALA A 38 3.953 -15.764 -35.016 1.00 24.22 H new ATOM 0 HB1 ALA A 38 2.768 -16.521 -32.981 1.00 4.24 H new ATOM 0 HB2 ALA A 38 2.701 -14.752 -33.165 1.00 4.24 H new ATOM 0 HB3 ALA A 38 1.279 -15.743 -33.569 1.00 4.24 H new ATOM 623 N ASP A 39 3.259 -18.213 -35.258 1.00 62.22 N ATOM 624 CA ASP A 39 2.997 -19.564 -35.742 1.00 12.31 C ATOM 625 C ASP A 39 2.317 -20.404 -34.665 1.00 53.14 C ATOM 626 O ASP A 39 2.127 -19.950 -33.537 1.00 51.32 O ATOM 627 CB ASP A 39 4.300 -20.233 -36.181 1.00 72.15 C ATOM 628 CG ASP A 39 4.615 -19.983 -37.643 1.00 51.11 C ATOM 629 OD1 ASP A 39 4.603 -18.806 -38.059 1.00 52.41 O ATOM 630 OD2 ASP A 39 4.873 -20.964 -38.371 1.00 73.34 O ATOM 0 H ASP A 39 4.079 -18.132 -34.657 1.00 62.22 H new ATOM 0 HA ASP A 39 2.328 -19.493 -36.599 1.00 12.31 H new ATOM 0 HB2 ASP A 39 5.120 -19.862 -35.567 1.00 72.15 H new ATOM 0 HB3 ASP A 39 4.231 -21.307 -36.006 1.00 72.15 H new ATOM 635 N SER A 40 1.951 -21.631 -35.023 1.00 2.05 N ATOM 636 CA SER A 40 1.288 -22.533 -34.089 1.00 34.13 C ATOM 637 C SER A 40 2.300 -23.186 -33.152 1.00 73.33 C ATOM 638 O SER A 40 2.169 -23.114 -31.930 1.00 1.44 O ATOM 639 CB SER A 40 0.512 -23.609 -34.850 1.00 71.55 C ATOM 640 OG SER A 40 0.349 -24.776 -34.062 1.00 5.53 O ATOM 0 H SER A 40 2.102 -22.023 -35.953 1.00 2.05 H new ATOM 0 HA SER A 40 0.591 -21.947 -33.490 1.00 34.13 H new ATOM 0 HB2 SER A 40 -0.465 -23.222 -35.138 1.00 71.55 H new ATOM 0 HB3 SER A 40 1.039 -23.859 -35.771 1.00 71.55 H new ATOM 0 HG SER A 40 -0.151 -25.447 -34.571 1.00 5.53 H new ATOM 646 N LEU A 41 3.309 -23.825 -33.735 1.00 14.32 N ATOM 647 CA LEU A 41 4.345 -24.492 -32.954 1.00 13.21 C ATOM 648 C LEU A 41 5.205 -23.476 -32.210 1.00 1.51 C ATOM 649 O LEU A 41 5.846 -23.803 -31.211 1.00 12.21 O ATOM 650 CB LEU A 41 5.223 -25.351 -33.864 1.00 61.55 C ATOM 651 CG LEU A 41 6.328 -24.614 -34.622 1.00 71.32 C ATOM 652 CD1 LEU A 41 7.246 -25.603 -35.323 1.00 22.51 C ATOM 653 CD2 LEU A 41 5.728 -23.639 -35.624 1.00 51.31 C ATOM 0 H LEU A 41 3.431 -23.895 -34.745 1.00 14.32 H new ATOM 0 HA LEU A 41 3.856 -25.133 -32.220 1.00 13.21 H new ATOM 0 HB2 LEU A 41 5.684 -26.132 -33.259 1.00 61.55 H new ATOM 0 HB3 LEU A 41 4.581 -25.848 -34.591 1.00 61.55 H new ATOM 0 HG LEU A 41 6.920 -24.048 -33.903 1.00 71.32 H new ATOM 0 HD11 LEU A 41 8.026 -25.060 -35.857 1.00 22.51 H new ATOM 0 HD12 LEU A 41 7.703 -26.262 -34.584 1.00 22.51 H new ATOM 0 HD13 LEU A 41 6.668 -26.197 -36.031 1.00 22.51 H new ATOM 0 HD21 LEU A 41 6.529 -23.123 -36.154 1.00 51.31 H new ATOM 0 HD22 LEU A 41 5.112 -24.185 -36.339 1.00 51.31 H new ATOM 0 HD23 LEU A 41 5.113 -22.909 -35.098 1.00 51.31 H new ATOM 665 N ASP A 42 5.213 -22.242 -32.702 1.00 51.22 N ATOM 666 CA ASP A 42 5.992 -21.176 -32.082 1.00 72.13 C ATOM 667 C ASP A 42 5.303 -20.663 -30.821 1.00 44.24 C ATOM 668 O ASP A 42 5.935 -20.506 -29.776 1.00 33.13 O ATOM 669 CB ASP A 42 6.199 -20.026 -33.069 1.00 71.23 C ATOM 670 CG ASP A 42 7.195 -20.371 -34.159 1.00 3.22 C ATOM 671 OD1 ASP A 42 7.599 -21.549 -34.242 1.00 31.41 O ATOM 672 OD2 ASP A 42 7.572 -19.462 -34.928 1.00 2.52 O ATOM 0 H ASP A 42 4.689 -21.955 -33.529 1.00 51.22 H new ATOM 0 HA ASP A 42 6.964 -21.584 -31.803 1.00 72.13 H new ATOM 0 HB2 ASP A 42 5.243 -19.765 -33.523 1.00 71.23 H new ATOM 0 HB3 ASP A 42 6.546 -19.145 -32.529 1.00 71.23 H new ATOM 677 N THR A 43 4.004 -20.401 -30.927 1.00 62.12 N ATOM 678 CA THR A 43 3.230 -19.903 -29.797 1.00 63.41 C ATOM 679 C THR A 43 3.371 -20.821 -28.588 1.00 11.43 C ATOM 680 O THR A 43 3.225 -20.385 -27.445 1.00 74.54 O ATOM 681 CB THR A 43 1.738 -19.768 -30.154 1.00 31.50 C ATOM 682 OG1 THR A 43 1.359 -20.798 -31.075 1.00 4.32 O ATOM 683 CG2 THR A 43 1.448 -18.405 -30.763 1.00 2.22 C ATOM 0 H THR A 43 3.466 -20.526 -31.784 1.00 62.12 H new ATOM 0 HA THR A 43 3.627 -18.918 -29.551 1.00 63.41 H new ATOM 0 HB THR A 43 1.158 -19.869 -29.237 1.00 31.50 H new ATOM 0 HG1 THR A 43 1.902 -21.598 -30.913 1.00 4.32 H new ATOM 0 HG21 THR A 43 0.388 -18.334 -31.007 1.00 2.22 H new ATOM 0 HG22 THR A 43 1.710 -17.624 -30.049 1.00 2.22 H new ATOM 0 HG23 THR A 43 2.038 -18.279 -31.671 1.00 2.22 H new ATOM 691 N VAL A 44 3.657 -22.093 -28.846 1.00 14.02 N ATOM 692 CA VAL A 44 3.819 -23.072 -27.778 1.00 1.15 C ATOM 693 C VAL A 44 4.944 -22.670 -26.830 1.00 62.15 C ATOM 694 O VAL A 44 4.774 -22.675 -25.612 1.00 14.51 O ATOM 695 CB VAL A 44 4.114 -24.474 -28.342 1.00 31.44 C ATOM 696 CG1 VAL A 44 4.200 -25.495 -27.217 1.00 61.12 C ATOM 697 CG2 VAL A 44 3.053 -24.874 -29.356 1.00 33.34 C ATOM 0 H VAL A 44 3.781 -22.470 -29.786 1.00 14.02 H new ATOM 0 HA VAL A 44 2.878 -23.100 -27.229 1.00 1.15 H new ATOM 0 HB VAL A 44 5.078 -24.447 -28.850 1.00 31.44 H new ATOM 0 HG11 VAL A 44 4.409 -26.480 -27.635 1.00 61.12 H new ATOM 0 HG12 VAL A 44 5.000 -25.214 -26.531 1.00 61.12 H new ATOM 0 HG13 VAL A 44 3.253 -25.523 -26.678 1.00 61.12 H new ATOM 0 HG21 VAL A 44 3.277 -25.867 -29.744 1.00 33.34 H new ATOM 0 HG22 VAL A 44 2.075 -24.885 -28.874 1.00 33.34 H new ATOM 0 HG23 VAL A 44 3.045 -24.157 -30.177 1.00 33.34 H new ATOM 707 N GLU A 45 6.094 -22.323 -27.400 1.00 1.21 N ATOM 708 CA GLU A 45 7.248 -21.918 -26.605 1.00 71.52 C ATOM 709 C GLU A 45 7.160 -20.442 -26.230 1.00 53.13 C ATOM 710 O GLU A 45 7.581 -20.039 -25.145 1.00 42.23 O ATOM 711 CB GLU A 45 8.544 -22.184 -27.375 1.00 35.14 C ATOM 712 CG GLU A 45 9.782 -21.627 -26.693 1.00 14.43 C ATOM 713 CD GLU A 45 11.063 -22.258 -27.203 1.00 14.43 C ATOM 714 OE1 GLU A 45 11.358 -23.405 -26.807 1.00 41.44 O ATOM 715 OE2 GLU A 45 11.770 -21.604 -27.998 1.00 14.41 O ATOM 0 H GLU A 45 6.251 -22.314 -28.408 1.00 1.21 H new ATOM 0 HA GLU A 45 7.250 -22.508 -25.688 1.00 71.52 H new ATOM 0 HB2 GLU A 45 8.665 -23.259 -27.506 1.00 35.14 H new ATOM 0 HB3 GLU A 45 8.461 -21.749 -28.371 1.00 35.14 H new ATOM 0 HG2 GLU A 45 9.825 -20.549 -26.850 1.00 14.43 H new ATOM 0 HG3 GLU A 45 9.704 -21.790 -25.618 1.00 14.43 H new ATOM 722 N LEU A 46 6.610 -19.640 -27.135 1.00 51.22 N ATOM 723 CA LEU A 46 6.466 -18.207 -26.901 1.00 62.01 C ATOM 724 C LEU A 46 5.526 -17.938 -25.730 1.00 62.23 C ATOM 725 O LEU A 46 5.907 -17.298 -24.751 1.00 33.14 O ATOM 726 CB LEU A 46 5.942 -17.515 -28.160 1.00 51.43 C ATOM 727 CG LEU A 46 6.865 -17.548 -29.379 1.00 23.24 C ATOM 728 CD1 LEU A 46 6.142 -17.029 -30.611 1.00 52.23 C ATOM 729 CD2 LEU A 46 8.125 -16.736 -29.116 1.00 0.04 C ATOM 0 H LEU A 46 6.256 -19.957 -28.038 1.00 51.22 H new ATOM 0 HA LEU A 46 7.448 -17.804 -26.654 1.00 62.01 H new ATOM 0 HB2 LEU A 46 4.993 -17.976 -28.435 1.00 51.43 H new ATOM 0 HB3 LEU A 46 5.732 -16.473 -27.917 1.00 51.43 H new ATOM 0 HG LEU A 46 7.155 -18.583 -29.563 1.00 23.24 H new ATOM 0 HD11 LEU A 46 6.815 -17.060 -31.468 1.00 52.23 H new ATOM 0 HD12 LEU A 46 5.271 -17.652 -30.811 1.00 52.23 H new ATOM 0 HD13 LEU A 46 5.821 -16.002 -30.439 1.00 52.23 H new ATOM 0 HD21 LEU A 46 8.770 -16.771 -29.994 1.00 0.04 H new ATOM 0 HD22 LEU A 46 7.854 -15.701 -28.906 1.00 0.04 H new ATOM 0 HD23 LEU A 46 8.655 -17.154 -28.260 1.00 0.04 H new ATOM 741 N MET A 47 4.298 -18.433 -25.839 1.00 34.42 N ATOM 742 CA MET A 47 3.304 -18.249 -24.787 1.00 63.21 C ATOM 743 C MET A 47 3.799 -18.826 -23.465 1.00 5.04 C ATOM 744 O MET A 47 3.357 -18.414 -22.393 1.00 33.02 O ATOM 745 CB MET A 47 1.983 -18.911 -25.183 1.00 31.04 C ATOM 746 CG MET A 47 1.327 -18.279 -26.399 1.00 52.23 C ATOM 747 SD MET A 47 -0.341 -18.900 -26.691 1.00 4.23 S ATOM 748 CE MET A 47 -0.079 -20.664 -26.526 1.00 5.04 C ATOM 0 H MET A 47 3.967 -18.964 -26.644 1.00 34.42 H new ATOM 0 HA MET A 47 3.141 -17.179 -24.658 1.00 63.21 H new ATOM 0 HB2 MET A 47 2.162 -19.967 -25.385 1.00 31.04 H new ATOM 0 HB3 MET A 47 1.293 -18.859 -24.340 1.00 31.04 H new ATOM 0 HG2 MET A 47 1.290 -17.198 -26.266 1.00 52.23 H new ATOM 0 HG3 MET A 47 1.941 -18.471 -27.279 1.00 52.23 H new ATOM 0 HE1 MET A 47 -0.929 -21.199 -26.950 1.00 5.04 H new ATOM 0 HE2 MET A 47 0.830 -20.948 -27.056 1.00 5.04 H new ATOM 0 HE3 MET A 47 0.021 -20.920 -25.471 1.00 5.04 H new ATOM 758 N MET A 48 4.720 -19.781 -23.548 1.00 74.33 N ATOM 759 CA MET A 48 5.275 -20.413 -22.357 1.00 71.42 C ATOM 760 C MET A 48 6.194 -19.452 -21.610 1.00 34.13 C ATOM 761 O MET A 48 6.244 -19.457 -20.380 1.00 52.42 O ATOM 762 CB MET A 48 6.044 -21.680 -22.737 1.00 72.24 C ATOM 763 CG MET A 48 6.851 -22.268 -21.592 1.00 5.25 C ATOM 764 SD MET A 48 5.816 -22.816 -20.221 1.00 73.12 S ATOM 765 CE MET A 48 6.935 -22.594 -18.841 1.00 1.33 C ATOM 0 H MET A 48 5.097 -20.134 -24.427 1.00 74.33 H new ATOM 0 HA MET A 48 4.448 -20.682 -21.700 1.00 71.42 H new ATOM 0 HB2 MET A 48 5.338 -22.429 -23.096 1.00 72.24 H new ATOM 0 HB3 MET A 48 6.716 -21.453 -23.565 1.00 72.24 H new ATOM 0 HG2 MET A 48 7.436 -23.111 -21.960 1.00 5.25 H new ATOM 0 HG3 MET A 48 7.559 -21.522 -21.232 1.00 5.25 H new ATOM 0 HE1 MET A 48 6.933 -23.492 -18.223 1.00 1.33 H new ATOM 0 HE2 MET A 48 7.943 -22.413 -19.215 1.00 1.33 H new ATOM 0 HE3 MET A 48 6.611 -21.742 -18.244 1.00 1.33 H new ATOM 775 N ALA A 49 6.919 -18.629 -22.360 1.00 72.45 N ATOM 776 CA ALA A 49 7.834 -17.662 -21.768 1.00 41.24 C ATOM 777 C ALA A 49 7.113 -16.765 -20.768 1.00 51.42 C ATOM 778 O ALA A 49 7.692 -16.348 -19.764 1.00 54.35 O ATOM 779 CB ALA A 49 8.491 -16.823 -22.855 1.00 32.12 C ATOM 0 H ALA A 49 6.890 -18.613 -23.379 1.00 72.45 H new ATOM 0 HA ALA A 49 8.607 -18.212 -21.231 1.00 41.24 H new ATOM 0 HB1 ALA A 49 9.172 -16.105 -22.399 1.00 32.12 H new ATOM 0 HB2 ALA A 49 9.048 -17.473 -23.530 1.00 32.12 H new ATOM 0 HB3 ALA A 49 7.724 -16.289 -23.416 1.00 32.12 H new ATOM 785 N ILE A 50 5.848 -16.471 -21.049 1.00 51.21 N ATOM 786 CA ILE A 50 5.048 -15.623 -20.173 1.00 65.12 C ATOM 787 C ILE A 50 4.894 -16.251 -18.792 1.00 51.31 C ATOM 788 O ILE A 50 4.648 -15.555 -17.808 1.00 10.52 O ATOM 789 CB ILE A 50 3.651 -15.361 -20.765 1.00 70.42 C ATOM 790 CG1 ILE A 50 3.769 -14.627 -22.102 1.00 52.41 C ATOM 791 CG2 ILE A 50 2.803 -14.561 -19.788 1.00 21.23 C ATOM 792 CD1 ILE A 50 4.334 -13.229 -21.976 1.00 22.32 C ATOM 0 H ILE A 50 5.355 -16.807 -21.876 1.00 51.21 H new ATOM 0 HA ILE A 50 5.578 -14.675 -20.081 1.00 65.12 H new ATOM 0 HB ILE A 50 3.162 -16.319 -20.940 1.00 70.42 H new ATOM 0 HG12 ILE A 50 4.404 -15.208 -22.771 1.00 52.41 H new ATOM 0 HG13 ILE A 50 2.784 -14.572 -22.565 1.00 52.41 H new ATOM 0 HG21 ILE A 50 1.819 -14.384 -20.221 1.00 21.23 H new ATOM 0 HG22 ILE A 50 2.695 -15.119 -18.858 1.00 21.23 H new ATOM 0 HG23 ILE A 50 3.287 -13.606 -19.584 1.00 21.23 H new ATOM 0 HD11 ILE A 50 4.389 -12.769 -22.962 1.00 22.32 H new ATOM 0 HD12 ILE A 50 3.688 -12.632 -21.333 1.00 22.32 H new ATOM 0 HD13 ILE A 50 5.333 -13.278 -21.542 1.00 22.32 H new ATOM 804 N GLU A 51 5.042 -17.570 -18.728 1.00 34.33 N ATOM 805 CA GLU A 51 4.919 -18.291 -17.466 1.00 62.32 C ATOM 806 C GLU A 51 6.219 -18.220 -16.671 1.00 24.44 C ATOM 807 O GLU A 51 6.214 -17.921 -15.476 1.00 61.34 O ATOM 808 CB GLU A 51 4.544 -19.753 -17.723 1.00 5.54 C ATOM 809 CG GLU A 51 3.160 -19.930 -18.322 1.00 53.54 C ATOM 810 CD GLU A 51 2.905 -21.348 -18.794 1.00 62.02 C ATOM 811 OE1 GLU A 51 2.642 -22.220 -17.940 1.00 12.31 O ATOM 812 OE2 GLU A 51 2.969 -21.586 -20.019 1.00 4.24 O ATOM 0 H GLU A 51 5.247 -18.161 -19.534 1.00 34.33 H new ATOM 0 HA GLU A 51 4.130 -17.818 -16.882 1.00 62.32 H new ATOM 0 HB2 GLU A 51 5.280 -20.196 -18.394 1.00 5.54 H new ATOM 0 HB3 GLU A 51 4.597 -20.303 -16.784 1.00 5.54 H new ATOM 0 HG2 GLU A 51 2.410 -19.658 -17.580 1.00 53.54 H new ATOM 0 HG3 GLU A 51 3.041 -19.245 -19.161 1.00 53.54 H new ATOM 819 N VAL A 52 7.333 -18.498 -17.342 1.00 32.35 N ATOM 820 CA VAL A 52 8.641 -18.466 -16.699 1.00 0.23 C ATOM 821 C VAL A 52 9.100 -17.032 -16.458 1.00 52.02 C ATOM 822 O VAL A 52 10.008 -16.786 -15.665 1.00 53.32 O ATOM 823 CB VAL A 52 9.700 -19.197 -17.545 1.00 23.14 C ATOM 824 CG1 VAL A 52 9.440 -20.696 -17.547 1.00 43.33 C ATOM 825 CG2 VAL A 52 9.720 -18.648 -18.963 1.00 62.53 C ATOM 0 H VAL A 52 7.355 -18.748 -18.331 1.00 32.35 H new ATOM 0 HA VAL A 52 8.536 -18.976 -15.742 1.00 0.23 H new ATOM 0 HB VAL A 52 10.680 -19.024 -17.100 1.00 23.14 H new ATOM 0 HG11 VAL A 52 10.198 -21.196 -18.150 1.00 43.33 H new ATOM 0 HG12 VAL A 52 9.481 -21.074 -16.525 1.00 43.33 H new ATOM 0 HG13 VAL A 52 8.454 -20.894 -17.967 1.00 43.33 H new ATOM 0 HG21 VAL A 52 10.474 -19.176 -19.547 1.00 62.53 H new ATOM 0 HG22 VAL A 52 8.741 -18.789 -19.422 1.00 62.53 H new ATOM 0 HG23 VAL A 52 9.959 -17.585 -18.938 1.00 62.53 H new ATOM 835 N GLU A 53 8.465 -16.090 -17.148 1.00 50.44 N ATOM 836 CA GLU A 53 8.809 -14.679 -17.009 1.00 71.44 C ATOM 837 C GLU A 53 8.130 -14.072 -15.786 1.00 15.34 C ATOM 838 O GLU A 53 8.788 -13.501 -14.916 1.00 22.44 O ATOM 839 CB GLU A 53 8.405 -13.907 -18.267 1.00 1.21 C ATOM 840 CG GLU A 53 9.451 -13.947 -19.368 1.00 41.02 C ATOM 841 CD GLU A 53 10.391 -12.758 -19.323 1.00 65.33 C ATOM 842 OE1 GLU A 53 10.865 -12.419 -18.219 1.00 11.54 O ATOM 843 OE2 GLU A 53 10.654 -12.168 -20.392 1.00 12.22 O ATOM 0 H GLU A 53 7.710 -16.278 -17.808 1.00 50.44 H new ATOM 0 HA GLU A 53 9.888 -14.605 -16.877 1.00 71.44 H new ATOM 0 HB2 GLU A 53 7.471 -14.317 -18.650 1.00 1.21 H new ATOM 0 HB3 GLU A 53 8.211 -12.868 -17.999 1.00 1.21 H new ATOM 0 HG2 GLU A 53 10.030 -14.867 -19.281 1.00 41.02 H new ATOM 0 HG3 GLU A 53 8.952 -13.975 -20.337 1.00 41.02 H new ATOM 850 N TYR A 54 6.809 -14.198 -15.726 1.00 55.34 N ATOM 851 CA TYR A 54 6.039 -13.659 -14.612 1.00 14.24 C ATOM 852 C TYR A 54 6.105 -14.588 -13.404 1.00 22.34 C ATOM 853 O TYR A 54 5.941 -14.156 -12.264 1.00 30.34 O ATOM 854 CB TYR A 54 4.582 -13.447 -15.026 1.00 54.41 C ATOM 855 CG TYR A 54 4.299 -12.060 -15.558 1.00 2.41 C ATOM 856 CD1 TYR A 54 4.597 -10.931 -14.803 1.00 73.34 C ATOM 857 CD2 TYR A 54 3.734 -11.877 -16.814 1.00 23.30 C ATOM 858 CE1 TYR A 54 4.340 -9.662 -15.285 1.00 31.13 C ATOM 859 CE2 TYR A 54 3.475 -10.612 -17.304 1.00 4.00 C ATOM 860 CZ TYR A 54 3.780 -9.508 -16.536 1.00 13.43 C ATOM 861 OH TYR A 54 3.522 -8.245 -17.020 1.00 20.54 O ATOM 0 H TYR A 54 6.249 -14.669 -16.437 1.00 55.34 H new ATOM 0 HA TYR A 54 6.474 -12.699 -14.334 1.00 14.24 H new ATOM 0 HB2 TYR A 54 4.320 -14.180 -15.789 1.00 54.41 H new ATOM 0 HB3 TYR A 54 3.938 -13.636 -14.167 1.00 54.41 H new ATOM 0 HD1 TYR A 54 5.037 -11.048 -13.824 1.00 73.34 H new ATOM 0 HD2 TYR A 54 3.493 -12.739 -17.418 1.00 23.30 H new ATOM 0 HE1 TYR A 54 4.576 -8.795 -14.685 1.00 31.13 H new ATOM 0 HE2 TYR A 54 3.036 -10.488 -18.283 1.00 4.00 H new ATOM 0 HH TYR A 54 3.129 -8.312 -17.915 1.00 20.54 H new ATOM 871 N GLY A 55 6.348 -15.870 -13.664 1.00 4.54 N ATOM 872 CA GLY A 55 6.433 -16.841 -12.589 1.00 64.31 C ATOM 873 C GLY A 55 5.089 -17.457 -12.257 1.00 31.41 C ATOM 874 O GLY A 55 4.839 -17.839 -11.113 1.00 65.42 O ATOM 0 H GLY A 55 6.487 -16.252 -14.599 1.00 4.54 H new ATOM 0 HA2 GLY A 55 7.131 -17.629 -12.870 1.00 64.31 H new ATOM 0 HA3 GLY A 55 6.838 -16.359 -11.699 1.00 64.31 H new ATOM 878 N ILE A 56 4.220 -17.553 -13.258 1.00 2.12 N ATOM 879 CA ILE A 56 2.894 -18.126 -13.065 1.00 70.34 C ATOM 880 C ILE A 56 2.575 -19.150 -14.150 1.00 22.14 C ATOM 881 O ILE A 56 3.404 -19.431 -15.015 1.00 62.43 O ATOM 882 CB ILE A 56 1.804 -17.038 -13.067 1.00 4.24 C ATOM 883 CG1 ILE A 56 1.886 -16.205 -14.347 1.00 44.15 C ATOM 884 CG2 ILE A 56 1.943 -16.148 -11.840 1.00 70.41 C ATOM 885 CD1 ILE A 56 0.610 -15.459 -14.666 1.00 14.01 C ATOM 0 H ILE A 56 4.411 -17.241 -14.210 1.00 2.12 H new ATOM 0 HA ILE A 56 2.902 -18.619 -12.093 1.00 70.34 H new ATOM 0 HB ILE A 56 0.828 -17.522 -13.033 1.00 4.24 H new ATOM 0 HG12 ILE A 56 2.702 -15.489 -14.253 1.00 44.15 H new ATOM 0 HG13 ILE A 56 2.132 -16.861 -15.182 1.00 44.15 H new ATOM 0 HG21 ILE A 56 1.166 -15.384 -11.855 1.00 70.41 H new ATOM 0 HG22 ILE A 56 1.840 -16.752 -10.939 1.00 70.41 H new ATOM 0 HG23 ILE A 56 2.922 -15.670 -11.846 1.00 70.41 H new ATOM 0 HD11 ILE A 56 0.742 -14.890 -15.586 1.00 14.01 H new ATOM 0 HD12 ILE A 56 -0.206 -16.171 -14.793 1.00 14.01 H new ATOM 0 HD13 ILE A 56 0.373 -14.777 -13.849 1.00 14.01 H new ATOM 897 N ASP A 57 1.368 -19.703 -14.097 1.00 4.10 N ATOM 898 CA ASP A 57 0.938 -20.694 -15.076 1.00 51.25 C ATOM 899 C ASP A 57 -0.335 -20.240 -15.785 1.00 22.41 C ATOM 900 O ASP A 57 -1.242 -19.689 -15.160 1.00 63.42 O ATOM 901 CB ASP A 57 0.705 -22.045 -14.398 1.00 42.13 C ATOM 902 CG ASP A 57 0.992 -23.213 -15.321 1.00 44.11 C ATOM 903 OD1 ASP A 57 0.065 -23.644 -16.038 1.00 45.43 O ATOM 904 OD2 ASP A 57 2.144 -23.697 -15.325 1.00 52.05 O ATOM 0 H ASP A 57 0.670 -19.482 -13.387 1.00 4.10 H new ATOM 0 HA ASP A 57 1.728 -20.801 -15.819 1.00 51.25 H new ATOM 0 HB2 ASP A 57 1.339 -22.119 -13.515 1.00 42.13 H new ATOM 0 HB3 ASP A 57 -0.328 -22.102 -14.054 1.00 42.13 H new ATOM 909 N ILE A 58 -0.394 -20.475 -17.091 1.00 72.14 N ATOM 910 CA ILE A 58 -1.555 -20.091 -17.884 1.00 15.30 C ATOM 911 C ILE A 58 -1.881 -21.150 -18.931 1.00 74.31 C ATOM 912 O ILE A 58 -1.318 -21.171 -20.026 1.00 11.23 O ATOM 913 CB ILE A 58 -1.334 -18.740 -18.589 1.00 2.51 C ATOM 914 CG1 ILE A 58 -1.063 -17.641 -17.559 1.00 51.32 C ATOM 915 CG2 ILE A 58 -2.540 -18.385 -19.446 1.00 0.25 C ATOM 916 CD1 ILE A 58 0.409 -17.377 -17.330 1.00 54.51 C ATOM 0 H ILE A 58 0.349 -20.929 -17.623 1.00 72.14 H new ATOM 0 HA ILE A 58 -2.392 -19.998 -17.192 1.00 15.30 H new ATOM 0 HB ILE A 58 -0.464 -18.825 -19.240 1.00 2.51 H new ATOM 0 HG12 ILE A 58 -1.542 -16.719 -17.889 1.00 51.32 H new ATOM 0 HG13 ILE A 58 -1.525 -17.920 -16.612 1.00 51.32 H new ATOM 0 HG21 ILE A 58 -2.368 -17.427 -19.937 1.00 0.25 H new ATOM 0 HG22 ILE A 58 -2.691 -19.158 -20.200 1.00 0.25 H new ATOM 0 HG23 ILE A 58 -3.426 -18.315 -18.816 1.00 0.25 H new ATOM 0 HD11 ILE A 58 0.526 -16.587 -16.588 1.00 54.51 H new ATOM 0 HD12 ILE A 58 0.890 -18.286 -16.970 1.00 54.51 H new ATOM 0 HD13 ILE A 58 0.873 -17.067 -18.266 1.00 54.51 H new ATOM 928 N PRO A 59 -2.814 -22.052 -18.590 1.00 53.33 N ATOM 929 CA PRO A 59 -3.239 -23.130 -19.488 1.00 43.12 C ATOM 930 C PRO A 59 -4.035 -22.611 -20.681 1.00 30.42 C ATOM 931 O PRO A 59 -4.516 -21.478 -20.673 1.00 32.24 O ATOM 932 CB PRO A 59 -4.121 -24.007 -18.597 1.00 31.32 C ATOM 933 CG PRO A 59 -4.625 -23.087 -17.540 1.00 14.25 C ATOM 934 CD PRO A 59 -3.527 -22.087 -17.302 1.00 72.43 C ATOM 0 HA PRO A 59 -2.390 -23.658 -19.922 1.00 43.12 H new ATOM 0 HB2 PRO A 59 -4.942 -24.447 -19.163 1.00 31.32 H new ATOM 0 HB3 PRO A 59 -3.553 -24.831 -18.166 1.00 31.32 H new ATOM 0 HG2 PRO A 59 -5.542 -22.591 -17.859 1.00 14.25 H new ATOM 0 HG3 PRO A 59 -4.860 -23.634 -16.627 1.00 14.25 H new ATOM 0 HD2 PRO A 59 -3.926 -21.108 -17.036 1.00 72.43 H new ATOM 0 HD3 PRO A 59 -2.871 -22.396 -16.488 1.00 72.43 H new ATOM 942 N ASP A 60 -4.171 -23.447 -21.704 1.00 65.52 N ATOM 943 CA ASP A 60 -4.910 -23.074 -22.904 1.00 53.31 C ATOM 944 C ASP A 60 -6.295 -22.542 -22.545 1.00 64.25 C ATOM 945 O ASP A 60 -6.845 -21.694 -23.247 1.00 14.51 O ATOM 946 CB ASP A 60 -5.039 -24.273 -23.844 1.00 62.32 C ATOM 947 CG ASP A 60 -3.703 -24.707 -24.415 1.00 51.13 C ATOM 948 OD1 ASP A 60 -2.662 -24.351 -23.825 1.00 31.03 O ATOM 949 OD2 ASP A 60 -3.699 -25.402 -25.453 1.00 44.54 O ATOM 0 H ASP A 60 -3.779 -24.388 -21.726 1.00 65.52 H new ATOM 0 HA ASP A 60 -4.356 -22.284 -23.411 1.00 53.31 H new ATOM 0 HB2 ASP A 60 -5.489 -25.107 -23.305 1.00 62.32 H new ATOM 0 HB3 ASP A 60 -5.715 -24.020 -24.661 1.00 62.32 H new ATOM 954 N ASP A 61 -6.851 -23.048 -21.450 1.00 52.34 N ATOM 955 CA ASP A 61 -8.171 -22.624 -20.998 1.00 74.13 C ATOM 956 C ASP A 61 -8.169 -21.145 -20.624 1.00 61.22 C ATOM 957 O ASP A 61 -9.142 -20.432 -20.868 1.00 21.50 O ATOM 958 CB ASP A 61 -8.618 -23.465 -19.801 1.00 52.14 C ATOM 959 CG ASP A 61 -9.090 -24.847 -20.209 1.00 15.23 C ATOM 960 OD1 ASP A 61 -8.239 -25.751 -20.337 1.00 62.32 O ATOM 961 OD2 ASP A 61 -10.312 -25.024 -20.398 1.00 42.02 O ATOM 0 H ASP A 61 -6.409 -23.752 -20.859 1.00 52.34 H new ATOM 0 HA ASP A 61 -8.873 -22.771 -21.818 1.00 74.13 H new ATOM 0 HB2 ASP A 61 -7.791 -23.560 -19.098 1.00 52.14 H new ATOM 0 HB3 ASP A 61 -9.423 -22.949 -19.278 1.00 52.14 H new ATOM 966 N GLU A 62 -7.069 -20.692 -20.030 1.00 54.11 N ATOM 967 CA GLU A 62 -6.942 -19.298 -19.621 1.00 33.21 C ATOM 968 C GLU A 62 -6.018 -18.536 -20.566 1.00 11.31 C ATOM 969 O GLU A 62 -5.607 -17.412 -20.277 1.00 21.52 O ATOM 970 CB GLU A 62 -6.410 -19.210 -18.189 1.00 34.52 C ATOM 971 CG GLU A 62 -7.118 -20.142 -17.219 1.00 5.12 C ATOM 972 CD GLU A 62 -8.588 -19.810 -17.058 1.00 54.14 C ATOM 973 OE1 GLU A 62 -9.392 -20.257 -17.903 1.00 74.30 O ATOM 974 OE2 GLU A 62 -8.935 -19.103 -16.089 1.00 75.05 O ATOM 0 H GLU A 62 -6.254 -21.269 -19.822 1.00 54.11 H new ATOM 0 HA GLU A 62 -7.931 -18.842 -19.662 1.00 33.21 H new ATOM 0 HB2 GLU A 62 -5.345 -19.442 -18.191 1.00 34.52 H new ATOM 0 HB3 GLU A 62 -6.512 -18.184 -17.835 1.00 34.52 H new ATOM 0 HG2 GLU A 62 -7.018 -21.169 -17.570 1.00 5.12 H new ATOM 0 HG3 GLU A 62 -6.629 -20.088 -16.247 1.00 5.12 H new ATOM 981 N ALA A 63 -5.695 -19.156 -21.696 1.00 54.44 N ATOM 982 CA ALA A 63 -4.822 -18.536 -22.685 1.00 5.02 C ATOM 983 C ALA A 63 -5.388 -17.202 -23.159 1.00 72.12 C ATOM 984 O ALA A 63 -4.655 -16.343 -23.651 1.00 31.23 O ATOM 985 CB ALA A 63 -4.612 -19.473 -23.865 1.00 55.35 C ATOM 0 H ALA A 63 -6.025 -20.087 -21.949 1.00 54.44 H new ATOM 0 HA ALA A 63 -3.859 -18.343 -22.213 1.00 5.02 H new ATOM 0 HB1 ALA A 63 -3.958 -18.997 -24.596 1.00 55.35 H new ATOM 0 HB2 ALA A 63 -4.154 -20.399 -23.517 1.00 55.35 H new ATOM 0 HB3 ALA A 63 -5.573 -19.695 -24.329 1.00 55.35 H new ATOM 991 N THR A 64 -6.699 -17.034 -23.010 1.00 25.22 N ATOM 992 CA THR A 64 -7.364 -15.806 -23.425 1.00 1.33 C ATOM 993 C THR A 64 -7.532 -14.848 -22.251 1.00 2.03 C ATOM 994 O THR A 64 -7.933 -13.697 -22.427 1.00 24.21 O ATOM 995 CB THR A 64 -8.747 -16.095 -24.038 1.00 62.41 C ATOM 996 OG1 THR A 64 -9.469 -17.011 -23.207 1.00 14.51 O ATOM 997 CG2 THR A 64 -8.607 -16.675 -25.438 1.00 34.14 C ATOM 0 H THR A 64 -7.321 -17.734 -22.605 1.00 25.22 H new ATOM 0 HA THR A 64 -6.729 -15.343 -24.181 1.00 1.33 H new ATOM 0 HB THR A 64 -9.295 -15.155 -24.104 1.00 62.41 H new ATOM 0 HG1 THR A 64 -10.348 -17.188 -23.602 1.00 14.51 H new ATOM 0 HG21 THR A 64 -9.596 -16.871 -25.851 1.00 34.14 H new ATOM 0 HG22 THR A 64 -8.082 -15.964 -26.076 1.00 34.14 H new ATOM 0 HG23 THR A 64 -8.042 -17.606 -25.391 1.00 34.14 H new ATOM 1005 N LYS A 65 -7.222 -15.329 -21.052 1.00 33.35 N ATOM 1006 CA LYS A 65 -7.337 -14.516 -19.847 1.00 42.41 C ATOM 1007 C LYS A 65 -6.126 -13.601 -19.691 1.00 51.13 C ATOM 1008 O LYS A 65 -6.098 -12.737 -18.814 1.00 21.51 O ATOM 1009 CB LYS A 65 -7.475 -15.411 -18.613 1.00 51.44 C ATOM 1010 CG LYS A 65 -8.884 -15.453 -18.048 1.00 11.04 C ATOM 1011 CD LYS A 65 -9.643 -16.677 -18.532 1.00 51.13 C ATOM 1012 CE LYS A 65 -10.914 -16.288 -19.272 1.00 11.14 C ATOM 1013 NZ LYS A 65 -11.871 -17.425 -19.365 1.00 53.24 N ATOM 0 H LYS A 65 -6.889 -16.279 -20.889 1.00 33.35 H new ATOM 0 HA LYS A 65 -8.229 -13.897 -19.941 1.00 42.41 H new ATOM 0 HB2 LYS A 65 -7.166 -16.424 -18.872 1.00 51.44 H new ATOM 0 HB3 LYS A 65 -6.793 -15.058 -17.840 1.00 51.44 H new ATOM 0 HG2 LYS A 65 -8.840 -15.458 -16.959 1.00 11.04 H new ATOM 0 HG3 LYS A 65 -9.421 -14.551 -18.341 1.00 11.04 H new ATOM 0 HD2 LYS A 65 -9.004 -17.266 -19.189 1.00 51.13 H new ATOM 0 HD3 LYS A 65 -9.895 -17.310 -17.681 1.00 51.13 H new ATOM 0 HE2 LYS A 65 -11.391 -15.452 -18.760 1.00 11.14 H new ATOM 0 HE3 LYS A 65 -10.660 -15.944 -20.275 1.00 11.14 H new ATOM 0 HZ1 LYS A 65 -12.724 -17.120 -19.876 1.00 53.24 H new ATOM 0 HZ2 LYS A 65 -11.425 -18.213 -19.876 1.00 53.24 H new ATOM 0 HZ3 LYS A 65 -12.134 -17.737 -18.408 1.00 53.24 H new ATOM 1027 N ILE A 66 -5.129 -13.795 -20.548 1.00 74.23 N ATOM 1028 CA ILE A 66 -3.918 -12.986 -20.507 1.00 11.44 C ATOM 1029 C ILE A 66 -3.383 -12.725 -21.910 1.00 44.34 C ATOM 1030 O ILE A 66 -2.236 -12.310 -22.083 1.00 13.12 O ATOM 1031 CB ILE A 66 -2.818 -13.661 -19.667 1.00 61.41 C ATOM 1032 CG1 ILE A 66 -2.099 -14.729 -20.494 1.00 24.22 C ATOM 1033 CG2 ILE A 66 -3.413 -14.271 -18.407 1.00 21.33 C ATOM 1034 CD1 ILE A 66 -3.036 -15.719 -21.149 1.00 31.43 C ATOM 0 H ILE A 66 -5.137 -14.506 -21.279 1.00 74.23 H new ATOM 0 HA ILE A 66 -4.188 -12.038 -20.042 1.00 11.44 H new ATOM 0 HB ILE A 66 -2.090 -12.905 -19.372 1.00 61.41 H new ATOM 0 HG12 ILE A 66 -1.504 -14.240 -21.265 1.00 24.22 H new ATOM 0 HG13 ILE A 66 -1.405 -15.269 -19.850 1.00 24.22 H new ATOM 0 HG21 ILE A 66 -2.623 -14.744 -17.824 1.00 21.33 H new ATOM 0 HG22 ILE A 66 -3.884 -13.489 -17.812 1.00 21.33 H new ATOM 0 HG23 ILE A 66 -4.158 -15.017 -18.681 1.00 21.33 H new ATOM 0 HD11 ILE A 66 -2.457 -16.446 -21.718 1.00 31.43 H new ATOM 0 HD12 ILE A 66 -3.614 -16.235 -20.382 1.00 31.43 H new ATOM 0 HD13 ILE A 66 -3.714 -15.190 -21.819 1.00 31.43 H new ATOM 1046 N LYS A 67 -4.221 -12.969 -22.912 1.00 43.21 N ATOM 1047 CA LYS A 67 -3.835 -12.758 -24.302 1.00 45.22 C ATOM 1048 C LYS A 67 -3.705 -11.270 -24.611 1.00 4.31 C ATOM 1049 O LYS A 67 -2.733 -10.836 -25.231 1.00 51.30 O ATOM 1050 CB LYS A 67 -4.861 -13.397 -25.241 1.00 2.53 C ATOM 1051 CG LYS A 67 -4.361 -13.564 -26.665 1.00 63.21 C ATOM 1052 CD LYS A 67 -5.068 -14.707 -27.373 1.00 60.54 C ATOM 1053 CE LYS A 67 -4.806 -14.682 -28.871 1.00 72.05 C ATOM 1054 NZ LYS A 67 -5.790 -13.827 -29.592 1.00 72.50 N ATOM 0 H LYS A 67 -5.173 -13.313 -22.787 1.00 43.21 H new ATOM 0 HA LYS A 67 -2.865 -13.230 -24.459 1.00 45.22 H new ATOM 0 HB2 LYS A 67 -5.143 -14.373 -24.847 1.00 2.53 H new ATOM 0 HB3 LYS A 67 -5.763 -12.785 -25.251 1.00 2.53 H new ATOM 0 HG2 LYS A 67 -4.520 -12.638 -27.218 1.00 63.21 H new ATOM 0 HG3 LYS A 67 -3.287 -13.750 -26.655 1.00 63.21 H new ATOM 0 HD2 LYS A 67 -4.730 -15.657 -26.959 1.00 60.54 H new ATOM 0 HD3 LYS A 67 -6.140 -14.643 -27.189 1.00 60.54 H new ATOM 0 HE2 LYS A 67 -3.798 -14.312 -29.057 1.00 72.05 H new ATOM 0 HE3 LYS A 67 -4.850 -15.698 -29.264 1.00 72.05 H new ATOM 0 HZ1 LYS A 67 -5.578 -13.836 -30.610 1.00 72.50 H new ATOM 0 HZ2 LYS A 67 -6.750 -14.195 -29.435 1.00 72.50 H new ATOM 0 HZ3 LYS A 67 -5.730 -12.852 -29.235 1.00 72.50 H new ATOM 1068 N THR A 68 -4.689 -10.491 -24.173 1.00 51.22 N ATOM 1069 CA THR A 68 -4.685 -9.052 -24.402 1.00 45.45 C ATOM 1070 C THR A 68 -3.977 -8.317 -23.270 1.00 3.30 C ATOM 1071 O THR A 68 -4.036 -8.734 -22.113 1.00 51.51 O ATOM 1072 CB THR A 68 -6.116 -8.500 -24.541 1.00 71.22 C ATOM 1073 OG1 THR A 68 -7.042 -9.368 -23.877 1.00 42.04 O ATOM 1074 CG2 THR A 68 -6.503 -8.362 -26.006 1.00 34.42 C ATOM 0 H THR A 68 -5.500 -10.833 -23.657 1.00 51.22 H new ATOM 0 HA THR A 68 -4.147 -8.883 -25.335 1.00 45.45 H new ATOM 0 HB THR A 68 -6.148 -7.513 -24.079 1.00 71.22 H new ATOM 0 HG1 THR A 68 -7.950 -9.010 -23.968 1.00 42.04 H new ATOM 0 HG21 THR A 68 -7.518 -7.970 -26.079 1.00 34.42 H new ATOM 0 HG22 THR A 68 -5.814 -7.678 -26.502 1.00 34.42 H new ATOM 0 HG23 THR A 68 -6.455 -9.338 -26.488 1.00 34.42 H new ATOM 1082 N VAL A 69 -3.307 -7.220 -23.610 1.00 0.21 N ATOM 1083 CA VAL A 69 -2.589 -6.425 -22.621 1.00 22.34 C ATOM 1084 C VAL A 69 -3.506 -6.016 -21.474 1.00 2.04 C ATOM 1085 O VAL A 69 -3.050 -5.780 -20.355 1.00 31.33 O ATOM 1086 CB VAL A 69 -1.979 -5.160 -23.253 1.00 10.25 C ATOM 1087 CG1 VAL A 69 -1.262 -4.329 -22.199 1.00 62.32 C ATOM 1088 CG2 VAL A 69 -1.033 -5.533 -24.384 1.00 54.43 C ATOM 0 H VAL A 69 -3.247 -6.862 -24.563 1.00 0.21 H new ATOM 0 HA VAL A 69 -1.786 -7.052 -22.234 1.00 22.34 H new ATOM 0 HB VAL A 69 -2.786 -4.557 -23.669 1.00 10.25 H new ATOM 0 HG11 VAL A 69 -0.837 -3.439 -22.664 1.00 62.32 H new ATOM 0 HG12 VAL A 69 -1.971 -4.031 -21.426 1.00 62.32 H new ATOM 0 HG13 VAL A 69 -0.464 -4.920 -21.751 1.00 62.32 H new ATOM 0 HG21 VAL A 69 -0.611 -4.627 -24.819 1.00 54.43 H new ATOM 0 HG22 VAL A 69 -0.229 -6.157 -23.995 1.00 54.43 H new ATOM 0 HG23 VAL A 69 -1.580 -6.082 -25.150 1.00 54.43 H new ATOM 1098 N SER A 70 -4.801 -5.934 -21.759 1.00 53.24 N ATOM 1099 CA SER A 70 -5.783 -5.550 -20.752 1.00 54.43 C ATOM 1100 C SER A 70 -6.131 -6.732 -19.854 1.00 32.44 C ATOM 1101 O SER A 70 -6.381 -6.567 -18.660 1.00 2.45 O ATOM 1102 CB SER A 70 -7.050 -5.014 -21.423 1.00 30.22 C ATOM 1103 OG SER A 70 -7.810 -4.226 -20.522 1.00 64.54 O ATOM 0 H SER A 70 -5.195 -6.128 -22.679 1.00 53.24 H new ATOM 0 HA SER A 70 -5.346 -4.764 -20.136 1.00 54.43 H new ATOM 0 HB2 SER A 70 -6.779 -4.417 -22.294 1.00 30.22 H new ATOM 0 HB3 SER A 70 -7.655 -5.846 -21.783 1.00 30.22 H new ATOM 0 HG SER A 70 -8.613 -3.894 -20.975 1.00 64.54 H new ATOM 1109 N ASP A 71 -6.145 -7.926 -20.437 1.00 14.13 N ATOM 1110 CA ASP A 71 -6.461 -9.138 -19.690 1.00 34.01 C ATOM 1111 C ASP A 71 -5.229 -9.663 -18.960 1.00 32.14 C ATOM 1112 O ASP A 71 -5.342 -10.398 -17.979 1.00 33.24 O ATOM 1113 CB ASP A 71 -7.009 -10.213 -20.629 1.00 74.25 C ATOM 1114 CG ASP A 71 -8.350 -9.832 -21.226 1.00 32.32 C ATOM 1115 OD1 ASP A 71 -8.665 -8.624 -21.255 1.00 40.14 O ATOM 1116 OD2 ASP A 71 -9.084 -10.742 -21.664 1.00 33.32 O ATOM 0 H ASP A 71 -5.941 -8.080 -21.424 1.00 14.13 H new ATOM 0 HA ASP A 71 -7.222 -8.891 -18.950 1.00 34.01 H new ATOM 0 HB2 ASP A 71 -6.294 -10.388 -21.432 1.00 74.25 H new ATOM 0 HB3 ASP A 71 -7.111 -11.151 -20.083 1.00 74.25 H new ATOM 1121 N VAL A 72 -4.052 -9.282 -19.446 1.00 12.55 N ATOM 1122 CA VAL A 72 -2.798 -9.714 -18.839 1.00 55.44 C ATOM 1123 C VAL A 72 -2.702 -9.253 -17.389 1.00 43.13 C ATOM 1124 O VAL A 72 -2.697 -10.069 -16.467 1.00 73.03 O ATOM 1125 CB VAL A 72 -1.584 -9.177 -19.619 1.00 43.33 C ATOM 1126 CG1 VAL A 72 -0.290 -9.524 -18.898 1.00 71.03 C ATOM 1127 CG2 VAL A 72 -1.577 -9.726 -21.038 1.00 1.20 C ATOM 0 H VAL A 72 -3.940 -8.675 -20.258 1.00 12.55 H new ATOM 0 HA VAL A 72 -2.789 -10.803 -18.872 1.00 55.44 H new ATOM 0 HB VAL A 72 -1.661 -8.091 -19.674 1.00 43.33 H new ATOM 0 HG11 VAL A 72 0.557 -9.136 -19.464 1.00 71.03 H new ATOM 0 HG12 VAL A 72 -0.297 -9.078 -17.904 1.00 71.03 H new ATOM 0 HG13 VAL A 72 -0.202 -10.607 -18.809 1.00 71.03 H new ATOM 0 HG21 VAL A 72 -0.712 -9.336 -21.575 1.00 1.20 H new ATOM 0 HG22 VAL A 72 -1.524 -10.814 -21.007 1.00 1.20 H new ATOM 0 HG23 VAL A 72 -2.490 -9.422 -21.550 1.00 1.20 H new ATOM 1137 N ILE A 73 -2.625 -7.941 -17.195 1.00 43.32 N ATOM 1138 CA ILE A 73 -2.530 -7.371 -15.857 1.00 24.32 C ATOM 1139 C ILE A 73 -3.827 -7.572 -15.081 1.00 1.52 C ATOM 1140 O ILE A 73 -3.831 -7.591 -13.850 1.00 24.33 O ATOM 1141 CB ILE A 73 -2.201 -5.867 -15.907 1.00 34.42 C ATOM 1142 CG1 ILE A 73 -1.009 -5.614 -16.832 1.00 11.25 C ATOM 1143 CG2 ILE A 73 -1.915 -5.341 -14.508 1.00 55.13 C ATOM 1144 CD1 ILE A 73 0.281 -6.230 -16.337 1.00 11.00 C ATOM 0 H ILE A 73 -2.627 -7.253 -17.948 1.00 43.32 H new ATOM 0 HA ILE A 73 -1.720 -7.894 -15.348 1.00 24.32 H new ATOM 0 HB ILE A 73 -3.064 -5.334 -16.305 1.00 34.42 H new ATOM 0 HG12 ILE A 73 -1.236 -6.012 -17.821 1.00 11.25 H new ATOM 0 HG13 ILE A 73 -0.869 -4.539 -16.945 1.00 11.25 H new ATOM 0 HG21 ILE A 73 -1.684 -4.277 -14.559 1.00 55.13 H new ATOM 0 HG22 ILE A 73 -2.790 -5.492 -13.876 1.00 55.13 H new ATOM 0 HG23 ILE A 73 -1.065 -5.877 -14.085 1.00 55.13 H new ATOM 0 HD11 ILE A 73 1.083 -6.011 -17.042 1.00 11.00 H new ATOM 0 HD12 ILE A 73 0.532 -5.814 -15.361 1.00 11.00 H new ATOM 0 HD13 ILE A 73 0.159 -7.310 -16.251 1.00 11.00 H new ATOM 1156 N LYS A 74 -4.928 -7.722 -15.809 1.00 12.32 N ATOM 1157 CA LYS A 74 -6.233 -7.924 -15.191 1.00 31.05 C ATOM 1158 C LYS A 74 -6.323 -9.305 -14.550 1.00 32.33 C ATOM 1159 O LYS A 74 -6.772 -9.444 -13.411 1.00 62.05 O ATOM 1160 CB LYS A 74 -7.344 -7.759 -16.230 1.00 70.01 C ATOM 1161 CG LYS A 74 -8.730 -8.073 -15.694 1.00 51.20 C ATOM 1162 CD LYS A 74 -9.104 -9.526 -15.933 1.00 15.03 C ATOM 1163 CE LYS A 74 -9.795 -10.130 -14.720 1.00 20.15 C ATOM 1164 NZ LYS A 74 -10.192 -11.546 -14.955 1.00 41.11 N ATOM 0 H LYS A 74 -4.943 -7.707 -16.829 1.00 12.32 H new ATOM 0 HA LYS A 74 -6.358 -7.172 -14.412 1.00 31.05 H new ATOM 0 HB2 LYS A 74 -7.331 -6.735 -16.603 1.00 70.01 H new ATOM 0 HB3 LYS A 74 -7.136 -8.410 -17.079 1.00 70.01 H new ATOM 0 HG2 LYS A 74 -8.765 -7.858 -14.626 1.00 51.20 H new ATOM 0 HG3 LYS A 74 -9.462 -7.424 -16.174 1.00 51.20 H new ATOM 0 HD2 LYS A 74 -9.761 -9.596 -16.800 1.00 15.03 H new ATOM 0 HD3 LYS A 74 -8.207 -10.100 -16.166 1.00 15.03 H new ATOM 0 HE2 LYS A 74 -9.128 -10.078 -13.859 1.00 20.15 H new ATOM 0 HE3 LYS A 74 -10.679 -9.541 -14.475 1.00 20.15 H new ATOM 0 HZ1 LYS A 74 -10.660 -11.921 -14.105 1.00 41.11 H new ATOM 0 HZ2 LYS A 74 -10.848 -11.593 -15.761 1.00 41.11 H new ATOM 0 HZ3 LYS A 74 -9.346 -12.114 -15.164 1.00 41.11 H new ATOM 1178 N TYR A 75 -5.893 -10.323 -15.286 1.00 70.35 N ATOM 1179 CA TYR A 75 -5.926 -11.694 -14.790 1.00 12.10 C ATOM 1180 C TYR A 75 -4.714 -11.984 -13.910 1.00 13.13 C ATOM 1181 O TYR A 75 -4.855 -12.384 -12.754 1.00 23.52 O ATOM 1182 CB TYR A 75 -5.970 -12.681 -15.958 1.00 10.31 C ATOM 1183 CG TYR A 75 -6.007 -14.129 -15.526 1.00 33.14 C ATOM 1184 CD1 TYR A 75 -7.194 -14.719 -15.107 1.00 63.21 C ATOM 1185 CD2 TYR A 75 -4.856 -14.907 -15.535 1.00 34.33 C ATOM 1186 CE1 TYR A 75 -7.233 -16.042 -14.711 1.00 25.04 C ATOM 1187 CE2 TYR A 75 -4.886 -16.231 -15.141 1.00 71.24 C ATOM 1188 CZ TYR A 75 -6.076 -16.794 -14.730 1.00 53.10 C ATOM 1189 OH TYR A 75 -6.110 -18.112 -14.336 1.00 41.01 O ATOM 0 H TYR A 75 -5.517 -10.225 -16.229 1.00 70.35 H new ATOM 0 HA TYR A 75 -6.827 -11.814 -14.188 1.00 12.10 H new ATOM 0 HB2 TYR A 75 -6.848 -12.470 -16.568 1.00 10.31 H new ATOM 0 HB3 TYR A 75 -5.097 -12.522 -16.591 1.00 10.31 H new ATOM 0 HD1 TYR A 75 -8.101 -14.133 -15.091 1.00 63.21 H new ATOM 0 HD2 TYR A 75 -3.922 -14.469 -15.855 1.00 34.33 H new ATOM 0 HE1 TYR A 75 -8.164 -16.485 -14.388 1.00 25.04 H new ATOM 0 HE2 TYR A 75 -3.982 -16.822 -15.155 1.00 71.24 H new ATOM 0 HH TYR A 75 -5.213 -18.499 -14.410 1.00 41.01 H new ATOM 1199 N ILE A 76 -3.525 -11.778 -14.465 1.00 50.12 N ATOM 1200 CA ILE A 76 -2.288 -12.015 -13.731 1.00 72.13 C ATOM 1201 C ILE A 76 -2.337 -11.372 -12.349 1.00 71.34 C ATOM 1202 O ILE A 76 -1.739 -11.874 -11.397 1.00 40.13 O ATOM 1203 CB ILE A 76 -1.067 -11.471 -14.495 1.00 41.35 C ATOM 1204 CG1 ILE A 76 -0.862 -12.251 -15.796 1.00 13.32 C ATOM 1205 CG2 ILE A 76 0.179 -11.545 -13.625 1.00 73.21 C ATOM 1206 CD1 ILE A 76 0.316 -11.767 -16.611 1.00 64.33 C ATOM 0 H ILE A 76 -3.392 -11.447 -15.421 1.00 50.12 H new ATOM 0 HA ILE A 76 -2.187 -13.095 -13.623 1.00 72.13 H new ATOM 0 HB ILE A 76 -1.250 -10.426 -14.745 1.00 41.35 H new ATOM 0 HG12 ILE A 76 -0.721 -13.306 -15.559 1.00 13.32 H new ATOM 0 HG13 ILE A 76 -1.766 -12.178 -16.400 1.00 13.32 H new ATOM 0 HG21 ILE A 76 1.033 -11.157 -14.179 1.00 73.21 H new ATOM 0 HG22 ILE A 76 0.030 -10.949 -12.724 1.00 73.21 H new ATOM 0 HG23 ILE A 76 0.368 -12.582 -13.347 1.00 73.21 H new ATOM 0 HD11 ILE A 76 0.401 -12.365 -17.518 1.00 64.33 H new ATOM 0 HD12 ILE A 76 0.168 -10.721 -16.878 1.00 64.33 H new ATOM 0 HD13 ILE A 76 1.229 -11.866 -16.025 1.00 64.33 H new ATOM 1218 N LYS A 77 -3.055 -10.259 -12.246 1.00 33.22 N ATOM 1219 CA LYS A 77 -3.186 -9.548 -10.980 1.00 14.31 C ATOM 1220 C LYS A 77 -3.634 -10.492 -9.869 1.00 11.02 C ATOM 1221 O LYS A 77 -2.882 -10.765 -8.934 1.00 62.23 O ATOM 1222 CB LYS A 77 -4.186 -8.397 -11.119 1.00 44.12 C ATOM 1223 CG LYS A 77 -4.747 -7.915 -9.793 1.00 33.23 C ATOM 1224 CD LYS A 77 -5.273 -6.493 -9.893 1.00 73.33 C ATOM 1225 CE LYS A 77 -5.262 -5.798 -8.541 1.00 2.33 C ATOM 1226 NZ LYS A 77 -5.980 -4.494 -8.581 1.00 43.34 N ATOM 0 H LYS A 77 -3.555 -9.830 -13.024 1.00 33.22 H new ATOM 0 HA LYS A 77 -2.209 -9.143 -10.717 1.00 14.31 H new ATOM 0 HB2 LYS A 77 -3.699 -7.562 -11.623 1.00 44.12 H new ATOM 0 HB3 LYS A 77 -5.009 -8.717 -11.757 1.00 44.12 H new ATOM 0 HG2 LYS A 77 -5.550 -8.579 -9.474 1.00 33.23 H new ATOM 0 HG3 LYS A 77 -3.971 -7.964 -9.029 1.00 33.23 H new ATOM 0 HD2 LYS A 77 -4.664 -5.928 -10.599 1.00 73.33 H new ATOM 0 HD3 LYS A 77 -6.289 -6.507 -10.288 1.00 73.33 H new ATOM 0 HE2 LYS A 77 -5.726 -6.445 -7.796 1.00 2.33 H new ATOM 0 HE3 LYS A 77 -4.232 -5.636 -8.225 1.00 2.33 H new ATOM 0 HZ1 LYS A 77 -5.950 -4.052 -7.640 1.00 43.34 H new ATOM 0 HZ2 LYS A 77 -5.522 -3.867 -9.273 1.00 43.34 H new ATOM 0 HZ3 LYS A 77 -6.970 -4.651 -8.858 1.00 43.34 H new ATOM 1240 N GLU A 78 -4.863 -10.988 -9.979 1.00 3.22 N ATOM 1241 CA GLU A 78 -5.409 -11.902 -8.983 1.00 23.22 C ATOM 1242 C GLU A 78 -4.675 -13.240 -9.012 1.00 41.20 C ATOM 1243 O GLU A 78 -4.710 -14.000 -8.045 1.00 21.35 O ATOM 1244 CB GLU A 78 -6.903 -12.122 -9.225 1.00 73.54 C ATOM 1245 CG GLU A 78 -7.773 -10.970 -8.752 1.00 71.01 C ATOM 1246 CD GLU A 78 -7.604 -10.680 -7.273 1.00 63.23 C ATOM 1247 OE1 GLU A 78 -8.158 -11.440 -6.452 1.00 25.21 O ATOM 1248 OE2 GLU A 78 -6.916 -9.693 -6.938 1.00 13.21 O ATOM 0 H GLU A 78 -5.498 -10.772 -10.747 1.00 3.22 H new ATOM 0 HA GLU A 78 -5.270 -11.452 -8.000 1.00 23.22 H new ATOM 0 HB2 GLU A 78 -7.070 -12.279 -10.291 1.00 73.54 H new ATOM 0 HB3 GLU A 78 -7.214 -13.034 -8.716 1.00 73.54 H new ATOM 0 HG2 GLU A 78 -7.527 -10.075 -9.324 1.00 71.01 H new ATOM 0 HG3 GLU A 78 -8.818 -11.202 -8.956 1.00 71.01 H new ATOM 1255 N ARG A 79 -4.012 -13.520 -10.129 1.00 44.11 N ATOM 1256 CA ARG A 79 -3.271 -14.766 -10.286 1.00 0.20 C ATOM 1257 C ARG A 79 -1.993 -14.747 -9.452 1.00 72.40 C ATOM 1258 O ARG A 79 -1.508 -15.793 -9.021 1.00 43.21 O ATOM 1259 CB ARG A 79 -2.928 -14.998 -11.759 1.00 33.34 C ATOM 1260 CG ARG A 79 -2.897 -16.466 -12.152 1.00 71.03 C ATOM 1261 CD ARG A 79 -1.502 -17.053 -12.004 1.00 32.12 C ATOM 1262 NE ARG A 79 -1.451 -18.453 -12.417 1.00 23.04 N ATOM 1263 CZ ARG A 79 -2.007 -19.443 -11.727 1.00 64.34 C ATOM 1264 NH1 ARG A 79 -2.653 -19.188 -10.598 1.00 61.32 N ATOM 1265 NH2 ARG A 79 -1.917 -20.692 -12.168 1.00 11.31 N ATOM 0 H ARG A 79 -3.973 -12.901 -10.939 1.00 44.11 H new ATOM 0 HA ARG A 79 -3.902 -15.582 -9.934 1.00 0.20 H new ATOM 0 HB2 ARG A 79 -3.659 -14.480 -12.380 1.00 33.34 H new ATOM 0 HB3 ARG A 79 -1.956 -14.553 -11.972 1.00 33.34 H new ATOM 0 HG2 ARG A 79 -3.596 -17.025 -11.530 1.00 71.03 H new ATOM 0 HG3 ARG A 79 -3.231 -16.575 -13.184 1.00 71.03 H new ATOM 0 HD2 ARG A 79 -0.799 -16.473 -12.602 1.00 32.12 H new ATOM 0 HD3 ARG A 79 -1.182 -16.969 -10.965 1.00 32.12 H new ATOM 0 HE ARG A 79 -0.962 -18.683 -13.282 1.00 23.04 H new ATOM 0 HH11 ARG A 79 -2.724 -18.229 -10.257 1.00 61.32 H new ATOM 0 HH12 ARG A 79 -3.079 -19.950 -10.071 1.00 61.32 H new ATOM 0 HH21 ARG A 79 -1.421 -20.892 -13.037 1.00 11.31 H new ATOM 0 HH22 ARG A 79 -2.344 -21.452 -11.638 1.00 11.31 H new ATOM 1279 N GLN A 80 -1.455 -13.553 -9.230 1.00 2.30 N ATOM 1280 CA GLN A 80 -0.233 -13.399 -8.449 1.00 71.20 C ATOM 1281 C GLN A 80 -0.441 -13.872 -7.014 1.00 14.40 C ATOM 1282 O GLN A 80 -1.339 -13.397 -6.318 1.00 3.22 O ATOM 1283 CB GLN A 80 0.222 -11.939 -8.457 1.00 1.23 C ATOM 1284 CG GLN A 80 0.922 -11.526 -9.742 1.00 32.43 C ATOM 1285 CD GLN A 80 2.392 -11.898 -9.751 1.00 14.30 C ATOM 1286 OE1 GLN A 80 3.253 -11.075 -9.440 1.00 45.04 O ATOM 1287 NE2 GLN A 80 2.686 -13.142 -10.108 1.00 32.40 N ATOM 0 H GLN A 80 -1.845 -12.678 -9.580 1.00 2.30 H new ATOM 0 HA GLN A 80 0.541 -14.015 -8.907 1.00 71.20 H new ATOM 0 HB2 GLN A 80 -0.645 -11.296 -8.303 1.00 1.23 H new ATOM 0 HB3 GLN A 80 0.896 -11.773 -7.617 1.00 1.23 H new ATOM 0 HG2 GLN A 80 0.426 -11.999 -10.590 1.00 32.43 H new ATOM 0 HG3 GLN A 80 0.823 -10.449 -9.875 1.00 32.43 H new ATOM 0 HE21 GLN A 80 1.940 -13.791 -10.358 1.00 32.40 H new ATOM 0 HE22 GLN A 80 3.658 -13.449 -10.132 1.00 32.40 H new