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 Single : A 4 THR OG1 : rot 34:sc= 0.0484 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.45) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -126:sc= -7.59! (180deg=-13.2!) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.577 (180deg=-1.03) USER MOD Single : A 20 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.75) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -2.02! (180deg=-5.53!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0285 USER MOD Single : A 43 THR OG1 : rot 47:sc= 1.11 USER MOD Single : A 47 MET CE :methyl -148:sc= -1.22 (180deg=-2.81!) USER MOD Single : A 48 MET CE :methyl 144:sc= -1.34 (180deg=-3.61!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0123) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.08) USER MOD Single : A 68 THR OG1 : rot -170:sc= -1.46 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 130:sc= -0.629 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 1.970 -4.363 -7.730 1.00 11.02 N ATOM 44 CA THR A 4 1.386 -4.881 -8.961 1.00 1.33 C ATOM 45 C THR A 4 1.124 -3.759 -9.959 1.00 41.02 C ATOM 46 O THR A 4 1.060 -3.992 -11.166 1.00 62.04 O ATOM 47 CB THR A 4 0.067 -5.627 -8.686 1.00 52.13 C ATOM 48 OG1 THR A 4 0.306 -6.744 -7.823 1.00 42.00 O ATOM 49 CG2 THR A 4 -0.563 -6.109 -9.985 1.00 4.43 C ATOM 0 HA THR A 4 2.108 -5.579 -9.385 1.00 1.33 H new ATOM 0 HB THR A 4 -0.622 -4.935 -8.201 1.00 52.13 H new ATOM 0 HG1 THR A 4 1.026 -6.524 -7.196 1.00 42.00 H new ATOM 0 HG21 THR A 4 -1.493 -6.633 -9.766 1.00 4.43 H new ATOM 0 HG22 THR A 4 -0.771 -5.254 -10.628 1.00 4.43 H new ATOM 0 HG23 THR A 4 0.124 -6.786 -10.493 1.00 4.43 H new ATOM 57 N ASP A 5 0.974 -2.542 -9.448 1.00 51.15 N ATOM 58 CA ASP A 5 0.720 -1.383 -10.296 1.00 45.24 C ATOM 59 C ASP A 5 1.793 -1.253 -11.373 1.00 50.44 C ATOM 60 O ASP A 5 1.525 -0.779 -12.478 1.00 31.30 O ATOM 61 CB ASP A 5 0.670 -0.108 -9.453 1.00 20.24 C ATOM 62 CG ASP A 5 0.133 1.079 -10.228 1.00 72.41 C ATOM 63 OD1 ASP A 5 -1.097 1.145 -10.433 1.00 50.12 O ATOM 64 OD2 ASP A 5 0.942 1.940 -10.631 1.00 3.44 O ATOM 0 H ASP A 5 1.024 -2.332 -8.451 1.00 51.15 H new ATOM 0 HA ASP A 5 -0.245 -1.525 -10.783 1.00 45.24 H new ATOM 0 HB2 ASP A 5 0.044 -0.279 -8.577 1.00 20.24 H new ATOM 0 HB3 ASP A 5 1.671 0.123 -9.089 1.00 20.24 H new ATOM 69 N LYS A 6 3.009 -1.675 -11.044 1.00 41.42 N ATOM 70 CA LYS A 6 4.123 -1.606 -11.982 1.00 63.02 C ATOM 71 C LYS A 6 3.921 -2.579 -13.139 1.00 63.32 C ATOM 72 O LYS A 6 4.381 -2.335 -14.255 1.00 62.30 O ATOM 73 CB LYS A 6 5.440 -1.915 -11.266 1.00 32.13 C ATOM 74 CG LYS A 6 6.508 -0.855 -11.471 1.00 15.40 C ATOM 75 CD LYS A 6 7.369 -1.158 -12.685 1.00 70.33 C ATOM 76 CE LYS A 6 8.702 -0.428 -12.620 1.00 34.10 C ATOM 77 NZ LYS A 6 8.561 1.014 -12.963 1.00 2.22 N ATOM 0 H LYS A 6 3.248 -2.069 -10.134 1.00 41.42 H new ATOM 0 HA LYS A 6 4.164 -0.594 -12.384 1.00 63.02 H new ATOM 0 HB2 LYS A 6 5.247 -2.022 -10.199 1.00 32.13 H new ATOM 0 HB3 LYS A 6 5.819 -2.874 -11.619 1.00 32.13 H new ATOM 0 HG2 LYS A 6 6.036 0.120 -11.593 1.00 15.40 H new ATOM 0 HG3 LYS A 6 7.138 -0.795 -10.583 1.00 15.40 H new ATOM 0 HD2 LYS A 6 7.544 -2.232 -12.749 1.00 70.33 H new ATOM 0 HD3 LYS A 6 6.837 -0.867 -13.591 1.00 70.33 H new ATOM 0 HE2 LYS A 6 9.120 -0.524 -11.618 1.00 34.10 H new ATOM 0 HE3 LYS A 6 9.407 -0.897 -13.306 1.00 34.10 H new ATOM 0 HZ1 LYS A 6 9.491 1.477 -12.907 1.00 2.22 H new ATOM 0 HZ2 LYS A 6 8.186 1.106 -13.929 1.00 2.22 H new ATOM 0 HZ3 LYS A 6 7.908 1.468 -12.293 1.00 2.22 H new ATOM 91 N ILE A 7 3.230 -3.681 -12.866 1.00 3.22 N ATOM 92 CA ILE A 7 2.966 -4.689 -13.885 1.00 53.31 C ATOM 93 C ILE A 7 2.168 -4.102 -15.045 1.00 5.52 C ATOM 94 O ILE A 7 2.427 -4.410 -16.207 1.00 62.54 O ATOM 95 CB ILE A 7 2.196 -5.889 -13.303 1.00 60.14 C ATOM 96 CG1 ILE A 7 2.931 -6.453 -12.086 1.00 5.11 C ATOM 97 CG2 ILE A 7 2.013 -6.965 -14.363 1.00 40.15 C ATOM 98 CD1 ILE A 7 2.194 -7.584 -11.405 1.00 31.41 C ATOM 0 H ILE A 7 2.843 -3.898 -11.948 1.00 3.22 H new ATOM 0 HA ILE A 7 3.935 -5.031 -14.249 1.00 53.31 H new ATOM 0 HB ILE A 7 1.211 -5.549 -12.984 1.00 60.14 H new ATOM 0 HG12 ILE A 7 3.914 -6.806 -12.397 1.00 5.11 H new ATOM 0 HG13 ILE A 7 3.094 -5.651 -11.366 1.00 5.11 H new ATOM 0 HG21 ILE A 7 1.467 -7.807 -13.937 1.00 40.15 H new ATOM 0 HG22 ILE A 7 1.451 -6.556 -15.203 1.00 40.15 H new ATOM 0 HG23 ILE A 7 2.989 -7.304 -14.710 1.00 40.15 H new ATOM 0 HD11 ILE A 7 2.774 -7.934 -10.551 1.00 31.41 H new ATOM 0 HD12 ILE A 7 1.221 -7.231 -11.063 1.00 31.41 H new ATOM 0 HD13 ILE A 7 2.055 -8.404 -12.110 1.00 31.41 H new ATOM 110 N GLU A 8 1.199 -3.252 -14.719 1.00 41.14 N ATOM 111 CA GLU A 8 0.365 -2.621 -15.735 1.00 52.41 C ATOM 112 C GLU A 8 1.222 -1.981 -16.823 1.00 4.41 C ATOM 113 O GLU A 8 0.905 -2.068 -18.009 1.00 22.43 O ATOM 114 CB GLU A 8 -0.542 -1.565 -15.098 1.00 61.43 C ATOM 115 CG GLU A 8 -1.257 -0.686 -16.111 1.00 21.24 C ATOM 116 CD GLU A 8 -2.432 0.060 -15.509 1.00 22.34 C ATOM 117 OE1 GLU A 8 -3.136 -0.527 -14.661 1.00 12.34 O ATOM 118 OE2 GLU A 8 -2.646 1.231 -15.886 1.00 34.11 O ATOM 0 H GLU A 8 0.973 -2.985 -13.761 1.00 41.14 H new ATOM 0 HA GLU A 8 -0.253 -3.394 -16.192 1.00 52.41 H new ATOM 0 HB2 GLU A 8 -1.284 -2.064 -14.474 1.00 61.43 H new ATOM 0 HB3 GLU A 8 0.055 -0.934 -14.440 1.00 61.43 H new ATOM 0 HG2 GLU A 8 -0.550 0.032 -16.527 1.00 21.24 H new ATOM 0 HG3 GLU A 8 -1.608 -1.303 -16.938 1.00 21.24 H new ATOM 125 N GLN A 9 2.309 -1.337 -16.409 1.00 41.22 N ATOM 126 CA GLN A 9 3.212 -0.681 -17.348 1.00 14.10 C ATOM 127 C GLN A 9 4.315 -1.633 -17.797 1.00 45.43 C ATOM 128 O GLN A 9 4.952 -1.419 -18.829 1.00 70.44 O ATOM 129 CB GLN A 9 3.826 0.567 -16.711 1.00 33.33 C ATOM 130 CG GLN A 9 3.009 1.829 -16.935 1.00 1.21 C ATOM 131 CD GLN A 9 2.754 2.106 -18.403 1.00 45.35 C ATOM 132 OE1 GLN A 9 1.619 2.033 -18.873 1.00 74.42 O ATOM 133 NE2 GLN A 9 3.813 2.428 -19.138 1.00 22.22 N ATOM 0 H GLN A 9 2.585 -1.256 -15.431 1.00 41.22 H new ATOM 0 HA GLN A 9 2.634 -0.386 -18.223 1.00 14.10 H new ATOM 0 HB2 GLN A 9 3.936 0.401 -15.639 1.00 33.33 H new ATOM 0 HB3 GLN A 9 4.827 0.716 -17.115 1.00 33.33 H new ATOM 0 HG2 GLN A 9 2.055 1.737 -16.416 1.00 1.21 H new ATOM 0 HG3 GLN A 9 3.531 2.678 -16.494 1.00 1.21 H new ATOM 0 HE21 GLN A 9 4.737 2.477 -18.708 1.00 22.22 H new ATOM 0 HE22 GLN A 9 3.702 2.626 -20.132 1.00 22.22 H new ATOM 142 N LYS A 10 4.538 -2.684 -17.015 1.00 40.45 N ATOM 143 CA LYS A 10 5.564 -3.670 -17.332 1.00 44.32 C ATOM 144 C LYS A 10 5.121 -4.566 -18.484 1.00 50.44 C ATOM 145 O LYS A 10 5.942 -5.224 -19.123 1.00 32.50 O ATOM 146 CB LYS A 10 5.879 -4.522 -16.101 1.00 33.41 C ATOM 147 CG LYS A 10 7.214 -5.242 -16.184 1.00 0.51 C ATOM 148 CD LYS A 10 7.800 -5.490 -14.804 1.00 70.52 C ATOM 149 CE LYS A 10 6.846 -6.288 -13.929 1.00 35.30 C ATOM 150 NZ LYS A 10 7.495 -6.737 -12.666 1.00 14.30 N ATOM 0 H LYS A 10 4.021 -2.875 -16.156 1.00 40.45 H new ATOM 0 HA LYS A 10 6.464 -3.136 -17.637 1.00 44.32 H new ATOM 0 HB2 LYS A 10 5.874 -3.884 -15.217 1.00 33.41 H new ATOM 0 HB3 LYS A 10 5.087 -5.258 -15.967 1.00 33.41 H new ATOM 0 HG2 LYS A 10 7.084 -6.193 -16.701 1.00 0.51 H new ATOM 0 HG3 LYS A 10 7.912 -4.650 -16.776 1.00 0.51 H new ATOM 0 HD2 LYS A 10 8.744 -6.027 -14.899 1.00 70.52 H new ATOM 0 HD3 LYS A 10 8.023 -4.536 -14.325 1.00 70.52 H new ATOM 0 HE2 LYS A 10 5.974 -5.678 -13.692 1.00 35.30 H new ATOM 0 HE3 LYS A 10 6.487 -7.156 -14.481 1.00 35.30 H new ATOM 0 HZ1 LYS A 10 6.812 -7.277 -12.098 1.00 14.30 H new ATOM 0 HZ2 LYS A 10 8.312 -7.340 -12.891 1.00 14.30 H new ATOM 0 HZ3 LYS A 10 7.815 -5.908 -12.126 1.00 14.30 H new ATOM 164 N VAL A 11 3.818 -4.584 -18.746 1.00 72.20 N ATOM 165 CA VAL A 11 3.266 -5.397 -19.823 1.00 71.12 C ATOM 166 C VAL A 11 4.007 -5.151 -21.133 1.00 10.04 C ATOM 167 O VAL A 11 4.228 -6.075 -21.915 1.00 61.35 O ATOM 168 CB VAL A 11 1.767 -5.109 -20.032 1.00 63.32 C ATOM 169 CG1 VAL A 11 1.546 -3.640 -20.359 1.00 20.24 C ATOM 170 CG2 VAL A 11 1.202 -5.999 -21.130 1.00 4.35 C ATOM 0 H VAL A 11 3.125 -4.045 -18.227 1.00 72.20 H new ATOM 0 HA VAL A 11 3.391 -6.439 -19.529 1.00 71.12 H new ATOM 0 HB VAL A 11 1.239 -5.334 -19.105 1.00 63.32 H new ATOM 0 HG11 VAL A 11 0.481 -3.456 -20.503 1.00 20.24 H new ATOM 0 HG12 VAL A 11 1.913 -3.025 -19.537 1.00 20.24 H new ATOM 0 HG13 VAL A 11 2.085 -3.385 -21.271 1.00 20.24 H new ATOM 0 HG21 VAL A 11 0.142 -5.782 -21.265 1.00 4.35 H new ATOM 0 HG22 VAL A 11 1.733 -5.808 -22.063 1.00 4.35 H new ATOM 0 HG23 VAL A 11 1.326 -7.045 -20.850 1.00 4.35 H new ATOM 180 N ILE A 12 4.389 -3.899 -21.364 1.00 35.43 N ATOM 181 CA ILE A 12 5.106 -3.532 -22.578 1.00 25.11 C ATOM 182 C ILE A 12 6.413 -4.309 -22.701 1.00 34.44 C ATOM 183 O ILE A 12 6.804 -4.715 -23.795 1.00 1.45 O ATOM 184 CB ILE A 12 5.415 -2.024 -22.615 1.00 54.51 C ATOM 185 CG1 ILE A 12 6.139 -1.661 -23.913 1.00 53.32 C ATOM 186 CG2 ILE A 12 6.248 -1.623 -21.407 1.00 65.23 C ATOM 187 CD1 ILE A 12 6.645 -0.236 -23.944 1.00 43.35 C ATOM 0 H ILE A 12 4.214 -3.123 -20.726 1.00 35.43 H new ATOM 0 HA ILE A 12 4.456 -3.783 -23.416 1.00 25.11 H new ATOM 0 HB ILE A 12 4.474 -1.475 -22.580 1.00 54.51 H new ATOM 0 HG12 ILE A 12 6.980 -2.340 -24.052 1.00 53.32 H new ATOM 0 HG13 ILE A 12 5.462 -1.816 -24.753 1.00 53.32 H new ATOM 0 HG21 ILE A 12 6.458 -0.554 -21.448 1.00 65.23 H new ATOM 0 HG22 ILE A 12 5.698 -1.850 -20.494 1.00 65.23 H new ATOM 0 HG23 ILE A 12 7.186 -2.177 -21.412 1.00 65.23 H new ATOM 0 HD11 ILE A 12 7.147 -0.049 -24.893 1.00 43.35 H new ATOM 0 HD12 ILE A 12 5.805 0.451 -23.836 1.00 43.35 H new ATOM 0 HD13 ILE A 12 7.347 -0.081 -23.125 1.00 43.35 H new ATOM 199 N GLU A 13 7.081 -4.515 -21.570 1.00 61.11 N ATOM 200 CA GLU A 13 8.343 -5.245 -21.552 1.00 21.32 C ATOM 201 C GLU A 13 8.106 -6.745 -21.705 1.00 62.02 C ATOM 202 O GLU A 13 9.000 -7.487 -22.113 1.00 12.45 O ATOM 203 CB GLU A 13 9.100 -4.968 -20.251 1.00 53.20 C ATOM 204 CG GLU A 13 10.607 -5.101 -20.384 1.00 24.25 C ATOM 205 CD GLU A 13 11.251 -3.868 -20.987 1.00 5.14 C ATOM 206 OE1 GLU A 13 11.158 -2.787 -20.369 1.00 1.12 O ATOM 207 OE2 GLU A 13 11.849 -3.985 -22.077 1.00 4.31 O ATOM 0 H GLU A 13 6.770 -4.187 -20.656 1.00 61.11 H new ATOM 0 HA GLU A 13 8.944 -4.901 -22.394 1.00 21.32 H new ATOM 0 HB2 GLU A 13 8.861 -3.961 -19.909 1.00 53.20 H new ATOM 0 HB3 GLU A 13 8.749 -5.657 -19.483 1.00 53.20 H new ATOM 0 HG2 GLU A 13 11.039 -5.288 -19.401 1.00 24.25 H new ATOM 0 HG3 GLU A 13 10.838 -5.967 -21.004 1.00 24.25 H new ATOM 214 N MET A 14 6.896 -7.184 -21.375 1.00 51.41 N ATOM 215 CA MET A 14 6.541 -8.594 -21.477 1.00 32.44 C ATOM 216 C MET A 14 6.138 -8.952 -22.904 1.00 22.43 C ATOM 217 O MET A 14 6.777 -9.784 -23.549 1.00 55.23 O ATOM 218 CB MET A 14 5.399 -8.925 -20.514 1.00 32.51 C ATOM 219 CG MET A 14 5.110 -10.414 -20.403 1.00 12.33 C ATOM 220 SD MET A 14 6.170 -11.239 -19.201 1.00 20.35 S ATOM 221 CE MET A 14 7.147 -12.289 -20.275 1.00 14.44 C ATOM 0 H MET A 14 6.145 -6.583 -21.035 1.00 51.41 H new ATOM 0 HA MET A 14 7.417 -9.184 -21.207 1.00 32.44 H new ATOM 0 HB2 MET A 14 5.644 -8.536 -19.526 1.00 32.51 H new ATOM 0 HB3 MET A 14 4.496 -8.411 -20.844 1.00 32.51 H new ATOM 0 HG2 MET A 14 4.067 -10.558 -20.121 1.00 12.33 H new ATOM 0 HG3 MET A 14 5.243 -10.880 -21.379 1.00 12.33 H new ATOM 0 HE1 MET A 14 7.081 -13.322 -19.933 1.00 14.44 H new ATOM 0 HE2 MET A 14 6.768 -12.219 -21.295 1.00 14.44 H new ATOM 0 HE3 MET A 14 8.188 -11.965 -20.252 1.00 14.44 H new ATOM 231 N VAL A 15 5.075 -8.320 -23.390 1.00 43.35 N ATOM 232 CA VAL A 15 4.588 -8.571 -24.742 1.00 23.15 C ATOM 233 C VAL A 15 5.685 -8.335 -25.774 1.00 0.02 C ATOM 234 O VAL A 15 5.649 -8.892 -26.871 1.00 4.14 O ATOM 235 CB VAL A 15 3.380 -7.677 -25.078 1.00 44.32 C ATOM 236 CG1 VAL A 15 2.918 -7.919 -26.507 1.00 30.21 C ATOM 237 CG2 VAL A 15 2.247 -7.920 -24.094 1.00 33.44 C ATOM 0 H VAL A 15 4.534 -7.630 -22.868 1.00 43.35 H new ATOM 0 HA VAL A 15 4.278 -9.615 -24.778 1.00 23.15 H new ATOM 0 HB VAL A 15 3.687 -6.635 -24.992 1.00 44.32 H new ATOM 0 HG11 VAL A 15 2.064 -7.279 -26.727 1.00 30.21 H new ATOM 0 HG12 VAL A 15 3.731 -7.689 -27.196 1.00 30.21 H new ATOM 0 HG13 VAL A 15 2.628 -8.963 -26.624 1.00 30.21 H new ATOM 0 HG21 VAL A 15 1.402 -7.280 -24.347 1.00 33.44 H new ATOM 0 HG22 VAL A 15 1.939 -8.964 -24.145 1.00 33.44 H new ATOM 0 HG23 VAL A 15 2.587 -7.690 -23.084 1.00 33.44 H new ATOM 247 N ALA A 16 6.659 -7.506 -25.415 1.00 4.43 N ATOM 248 CA ALA A 16 7.769 -7.197 -26.309 1.00 35.42 C ATOM 249 C ALA A 16 8.747 -8.364 -26.393 1.00 34.43 C ATOM 250 O ALA A 16 9.484 -8.498 -27.368 1.00 62.34 O ATOM 251 CB ALA A 16 8.485 -5.938 -25.846 1.00 3.31 C ATOM 0 H ALA A 16 6.702 -7.036 -24.511 1.00 4.43 H new ATOM 0 HA ALA A 16 7.363 -7.025 -27.306 1.00 35.42 H new ATOM 0 HB1 ALA A 16 9.311 -5.720 -26.523 1.00 3.31 H new ATOM 0 HB2 ALA A 16 7.786 -5.102 -25.845 1.00 3.31 H new ATOM 0 HB3 ALA A 16 8.872 -6.089 -24.838 1.00 3.31 H new ATOM 257 N GLU A 17 8.747 -9.205 -25.363 1.00 61.41 N ATOM 258 CA GLU A 17 9.637 -10.360 -25.321 1.00 74.13 C ATOM 259 C GLU A 17 8.873 -11.646 -25.625 1.00 63.11 C ATOM 260 O GLU A 17 9.458 -12.644 -26.048 1.00 10.13 O ATOM 261 CB GLU A 17 10.309 -10.465 -23.951 1.00 13.33 C ATOM 262 CG GLU A 17 11.669 -11.140 -23.990 1.00 21.41 C ATOM 263 CD GLU A 17 12.704 -10.325 -24.740 1.00 42.22 C ATOM 264 OE1 GLU A 17 12.391 -9.180 -25.129 1.00 33.40 O ATOM 265 OE2 GLU A 17 13.828 -10.832 -24.938 1.00 43.21 O ATOM 0 H GLU A 17 8.142 -9.108 -24.548 1.00 61.41 H new ATOM 0 HA GLU A 17 10.404 -10.224 -26.084 1.00 74.13 H new ATOM 0 HB2 GLU A 17 10.421 -9.465 -23.533 1.00 13.33 H new ATOM 0 HB3 GLU A 17 9.656 -11.020 -23.277 1.00 13.33 H new ATOM 0 HG2 GLU A 17 12.015 -11.310 -22.971 1.00 21.41 H new ATOM 0 HG3 GLU A 17 11.571 -12.118 -24.461 1.00 21.41 H new ATOM 272 N LYS A 18 7.563 -11.615 -25.406 1.00 62.22 N ATOM 273 CA LYS A 18 6.718 -12.776 -25.656 1.00 74.43 C ATOM 274 C LYS A 18 6.678 -13.110 -27.144 1.00 61.41 C ATOM 275 O LYS A 18 6.974 -14.236 -27.546 1.00 64.41 O ATOM 276 CB LYS A 18 5.299 -12.520 -25.143 1.00 30.25 C ATOM 277 CG LYS A 18 4.360 -13.698 -25.336 1.00 20.33 C ATOM 278 CD LYS A 18 3.142 -13.312 -26.159 1.00 5.15 C ATOM 279 CE LYS A 18 2.033 -12.751 -25.282 1.00 73.34 C ATOM 280 NZ LYS A 18 2.286 -11.333 -24.906 1.00 41.11 N ATOM 0 H LYS A 18 7.063 -10.798 -25.056 1.00 62.22 H new ATOM 0 HA LYS A 18 7.144 -13.625 -25.122 1.00 74.43 H new ATOM 0 HB2 LYS A 18 5.344 -12.272 -24.082 1.00 30.25 H new ATOM 0 HB3 LYS A 18 4.888 -11.651 -25.656 1.00 30.25 H new ATOM 0 HG2 LYS A 18 4.892 -14.511 -25.831 1.00 20.33 H new ATOM 0 HG3 LYS A 18 4.039 -14.072 -24.364 1.00 20.33 H new ATOM 0 HD2 LYS A 18 3.426 -12.571 -26.907 1.00 5.15 H new ATOM 0 HD3 LYS A 18 2.774 -14.185 -26.699 1.00 5.15 H new ATOM 0 HE2 LYS A 18 1.082 -12.822 -25.809 1.00 73.34 H new ATOM 0 HE3 LYS A 18 1.943 -13.355 -24.379 1.00 73.34 H new ATOM 0 HZ1 LYS A 18 1.380 -10.854 -24.727 1.00 41.11 H new ATOM 0 HZ2 LYS A 18 2.870 -11.301 -24.046 1.00 41.11 H new ATOM 0 HZ3 LYS A 18 2.785 -10.852 -25.681 1.00 41.11 H new ATOM 294 N LEU A 19 6.312 -12.126 -27.957 1.00 41.32 N ATOM 295 CA LEU A 19 6.236 -12.315 -29.402 1.00 13.23 C ATOM 296 C LEU A 19 7.265 -11.447 -30.120 1.00 34.34 C ATOM 297 O LEU A 19 7.130 -11.163 -31.309 1.00 32.30 O ATOM 298 CB LEU A 19 4.830 -11.982 -29.906 1.00 4.22 C ATOM 299 CG LEU A 19 4.231 -12.959 -30.918 1.00 45.43 C ATOM 300 CD1 LEU A 19 5.194 -13.187 -32.074 1.00 11.34 C ATOM 301 CD2 LEU A 19 3.882 -14.278 -30.245 1.00 10.44 C ATOM 0 H LEU A 19 6.063 -11.189 -27.641 1.00 41.32 H new ATOM 0 HA LEU A 19 6.455 -13.360 -29.619 1.00 13.23 H new ATOM 0 HB2 LEU A 19 4.162 -11.925 -29.047 1.00 4.22 H new ATOM 0 HB3 LEU A 19 4.853 -10.990 -30.358 1.00 4.22 H new ATOM 0 HG LEU A 19 3.314 -12.523 -31.315 1.00 45.43 H new ATOM 0 HD11 LEU A 19 4.751 -13.885 -32.784 1.00 11.34 H new ATOM 0 HD12 LEU A 19 5.394 -12.239 -32.573 1.00 11.34 H new ATOM 0 HD13 LEU A 19 6.128 -13.601 -31.693 1.00 11.34 H new ATOM 0 HD21 LEU A 19 3.457 -14.961 -30.981 1.00 10.44 H new ATOM 0 HD22 LEU A 19 4.783 -14.719 -29.819 1.00 10.44 H new ATOM 0 HD23 LEU A 19 3.155 -14.101 -29.452 1.00 10.44 H new ATOM 313 N ASN A 20 8.294 -11.031 -29.389 1.00 33.45 N ATOM 314 CA ASN A 20 9.347 -10.198 -29.956 1.00 41.41 C ATOM 315 C ASN A 20 8.757 -8.977 -30.655 1.00 40.42 C ATOM 316 O ASN A 20 9.095 -8.680 -31.801 1.00 54.24 O ATOM 317 CB ASN A 20 10.190 -11.007 -30.944 1.00 3.33 C ATOM 318 CG ASN A 20 11.442 -10.268 -31.375 1.00 64.24 C ATOM 319 OD1 ASN A 20 11.500 -9.708 -32.470 1.00 15.51 O ATOM 320 ND2 ASN A 20 12.454 -10.265 -30.515 1.00 33.13 N ATOM 0 H ASN A 20 8.421 -11.257 -28.403 1.00 33.45 H new ATOM 0 HA ASN A 20 9.984 -9.856 -29.140 1.00 41.41 H new ATOM 0 HB2 ASN A 20 10.471 -11.956 -30.486 1.00 3.33 H new ATOM 0 HB3 ASN A 20 9.589 -11.242 -31.823 1.00 3.33 H new ATOM 0 HD21 ASN A 20 13.323 -9.786 -30.751 1.00 33.13 H new ATOM 0 HD22 ASN A 20 12.363 -10.742 -29.618 1.00 33.13 H new ATOM 327 N LYS A 21 7.874 -8.271 -29.957 1.00 32.21 N ATOM 328 CA LYS A 21 7.237 -7.081 -30.508 1.00 0.11 C ATOM 329 C LYS A 21 7.976 -5.819 -30.075 1.00 11.31 C ATOM 330 O LYS A 21 8.140 -5.563 -28.882 1.00 2.31 O ATOM 331 CB LYS A 21 5.775 -7.007 -30.062 1.00 52.13 C ATOM 332 CG LYS A 21 4.847 -6.424 -31.114 1.00 61.33 C ATOM 333 CD LYS A 21 4.330 -7.497 -32.058 1.00 24.40 C ATOM 334 CE LYS A 21 3.085 -7.035 -32.799 1.00 64.14 C ATOM 335 NZ LYS A 21 3.393 -6.620 -34.196 1.00 65.41 N ATOM 0 H LYS A 21 7.583 -8.503 -29.007 1.00 32.21 H new ATOM 0 HA LYS A 21 7.276 -7.149 -31.595 1.00 0.11 H new ATOM 0 HB2 LYS A 21 5.432 -8.008 -29.802 1.00 52.13 H new ATOM 0 HB3 LYS A 21 5.710 -6.403 -29.157 1.00 52.13 H new ATOM 0 HG2 LYS A 21 4.006 -5.932 -30.626 1.00 61.33 H new ATOM 0 HG3 LYS A 21 5.376 -5.661 -31.684 1.00 61.33 H new ATOM 0 HD2 LYS A 21 5.107 -7.756 -32.777 1.00 24.40 H new ATOM 0 HD3 LYS A 21 4.104 -8.402 -31.493 1.00 24.40 H new ATOM 0 HE2 LYS A 21 2.351 -7.840 -32.813 1.00 64.14 H new ATOM 0 HE3 LYS A 21 2.632 -6.200 -32.264 1.00 64.14 H new ATOM 0 HZ1 LYS A 21 2.854 -5.762 -34.430 1.00 65.41 H new ATOM 0 HZ2 LYS A 21 4.411 -6.425 -34.284 1.00 65.41 H new ATOM 0 HZ3 LYS A 21 3.129 -7.384 -34.851 1.00 65.41 H new ATOM 349 N ASP A 22 8.418 -5.033 -31.051 1.00 32.22 N ATOM 350 CA ASP A 22 9.137 -3.796 -30.770 1.00 50.01 C ATOM 351 C ASP A 22 8.321 -2.889 -29.854 1.00 62.10 C ATOM 352 O ASP A 22 7.091 -2.876 -29.911 1.00 3.55 O ATOM 353 CB ASP A 22 9.464 -3.064 -32.073 1.00 21.41 C ATOM 354 CG ASP A 22 10.760 -2.282 -31.988 1.00 61.50 C ATOM 355 OD1 ASP A 22 11.783 -2.872 -31.582 1.00 31.33 O ATOM 356 OD2 ASP A 22 10.752 -1.080 -32.327 1.00 75.42 O ATOM 0 H ASP A 22 8.291 -5.231 -32.044 1.00 32.22 H new ATOM 0 HA ASP A 22 10.067 -4.053 -30.263 1.00 50.01 H new ATOM 0 HB2 ASP A 22 9.532 -3.787 -32.885 1.00 21.41 H new ATOM 0 HB3 ASP A 22 8.648 -2.384 -32.319 1.00 21.41 H new ATOM 361 N LYS A 23 9.014 -2.133 -29.009 1.00 52.22 N ATOM 362 CA LYS A 23 8.355 -1.222 -28.080 1.00 62.22 C ATOM 363 C LYS A 23 7.517 -0.192 -28.830 1.00 44.44 C ATOM 364 O LYS A 23 6.606 0.412 -28.265 1.00 24.14 O ATOM 365 CB LYS A 23 9.393 -0.513 -27.207 1.00 32.53 C ATOM 366 CG LYS A 23 10.450 0.233 -28.002 1.00 55.22 C ATOM 367 CD LYS A 23 11.715 0.445 -27.188 1.00 32.43 C ATOM 368 CE LYS A 23 11.617 1.690 -26.319 1.00 62.45 C ATOM 369 NZ LYS A 23 12.951 2.120 -25.816 1.00 13.35 N ATOM 0 H LYS A 23 10.032 -2.133 -28.948 1.00 52.22 H new ATOM 0 HA LYS A 23 7.693 -1.808 -27.443 1.00 62.22 H new ATOM 0 HB2 LYS A 23 8.882 0.190 -26.549 1.00 32.53 H new ATOM 0 HB3 LYS A 23 9.882 -1.249 -26.569 1.00 32.53 H new ATOM 0 HG2 LYS A 23 10.688 -0.326 -28.907 1.00 55.22 H new ATOM 0 HG3 LYS A 23 10.054 1.198 -28.319 1.00 55.22 H new ATOM 0 HD2 LYS A 23 11.894 -0.426 -26.558 1.00 32.43 H new ATOM 0 HD3 LYS A 23 12.570 0.534 -27.859 1.00 32.43 H new ATOM 0 HE2 LYS A 23 11.167 2.500 -26.893 1.00 62.45 H new ATOM 0 HE3 LYS A 23 10.956 1.493 -25.475 1.00 62.45 H new ATOM 0 HZ1 LYS A 23 12.843 2.971 -25.228 1.00 13.35 H new ATOM 0 HZ2 LYS A 23 13.370 1.357 -25.247 1.00 13.35 H new ATOM 0 HZ3 LYS A 23 13.574 2.333 -26.621 1.00 13.35 H new ATOM 383 N ALA A 24 7.831 0.003 -30.107 1.00 3.40 N ATOM 384 CA ALA A 24 7.105 0.958 -30.935 1.00 10.21 C ATOM 385 C ALA A 24 5.890 0.307 -31.587 1.00 31.24 C ATOM 386 O ALA A 24 5.165 0.947 -32.348 1.00 54.22 O ATOM 387 CB ALA A 24 8.025 1.544 -31.996 1.00 30.30 C ATOM 0 H ALA A 24 8.583 -0.488 -30.590 1.00 3.40 H new ATOM 0 HA ALA A 24 6.751 1.764 -30.291 1.00 10.21 H new ATOM 0 HB1 ALA A 24 7.469 2.255 -32.607 1.00 30.30 H new ATOM 0 HB2 ALA A 24 8.859 2.054 -31.513 1.00 30.30 H new ATOM 0 HB3 ALA A 24 8.407 0.743 -32.629 1.00 30.30 H new ATOM 393 N ILE A 25 5.674 -0.969 -31.283 1.00 43.33 N ATOM 394 CA ILE A 25 4.547 -1.706 -31.840 1.00 14.22 C ATOM 395 C ILE A 25 3.608 -2.188 -30.739 1.00 23.41 C ATOM 396 O ILE A 25 2.438 -2.477 -30.990 1.00 31.43 O ATOM 397 CB ILE A 25 5.018 -2.918 -32.665 1.00 2.32 C ATOM 398 CG1 ILE A 25 5.919 -2.461 -33.814 1.00 1.41 C ATOM 399 CG2 ILE A 25 3.823 -3.693 -33.198 1.00 13.00 C ATOM 400 CD1 ILE A 25 7.045 -3.424 -34.119 1.00 51.20 C ATOM 0 H ILE A 25 6.265 -1.513 -30.654 1.00 43.33 H new ATOM 0 HA ILE A 25 4.013 -1.018 -32.495 1.00 14.22 H new ATOM 0 HB ILE A 25 5.594 -3.578 -32.017 1.00 2.32 H new ATOM 0 HG12 ILE A 25 5.312 -2.328 -34.710 1.00 1.41 H new ATOM 0 HG13 ILE A 25 6.342 -1.487 -33.568 1.00 1.41 H new ATOM 0 HG21 ILE A 25 4.173 -4.546 -33.779 1.00 13.00 H new ATOM 0 HG22 ILE A 25 3.217 -4.046 -32.364 1.00 13.00 H new ATOM 0 HG23 ILE A 25 3.222 -3.043 -33.834 1.00 13.00 H new ATOM 0 HD11 ILE A 25 7.642 -3.036 -34.944 1.00 51.20 H new ATOM 0 HD12 ILE A 25 7.675 -3.538 -33.237 1.00 51.20 H new ATOM 0 HD13 ILE A 25 6.630 -4.393 -34.396 1.00 51.20 H new ATOM 412 N ILE A 26 4.129 -2.272 -29.519 1.00 42.54 N ATOM 413 CA ILE A 26 3.337 -2.716 -28.380 1.00 20.15 C ATOM 414 C ILE A 26 2.010 -1.968 -28.307 1.00 22.11 C ATOM 415 O ILE A 26 1.967 -0.789 -27.953 1.00 61.30 O ATOM 416 CB ILE A 26 4.097 -2.520 -27.055 1.00 3.34 C ATOM 417 CG1 ILE A 26 5.398 -3.326 -27.063 1.00 74.12 C ATOM 418 CG2 ILE A 26 3.224 -2.926 -25.877 1.00 55.13 C ATOM 419 CD1 ILE A 26 5.182 -4.819 -27.173 1.00 71.31 C ATOM 0 H ILE A 26 5.096 -2.038 -29.295 1.00 42.54 H new ATOM 0 HA ILE A 26 3.144 -3.779 -28.526 1.00 20.15 H new ATOM 0 HB ILE A 26 4.346 -1.464 -26.950 1.00 3.34 H new ATOM 0 HG12 ILE A 26 6.017 -2.994 -27.897 1.00 74.12 H new ATOM 0 HG13 ILE A 26 5.953 -3.114 -26.149 1.00 74.12 H new ATOM 0 HG21 ILE A 26 3.776 -2.781 -24.948 1.00 55.13 H new ATOM 0 HG22 ILE A 26 2.323 -2.312 -25.863 1.00 55.13 H new ATOM 0 HG23 ILE A 26 2.946 -3.976 -25.974 1.00 55.13 H new ATOM 0 HD11 ILE A 26 6.146 -5.327 -27.173 1.00 71.31 H new ATOM 0 HD12 ILE A 26 4.590 -5.164 -26.326 1.00 71.31 H new ATOM 0 HD13 ILE A 26 4.654 -5.043 -28.100 1.00 71.31 H new ATOM 431 N THR A 27 0.927 -2.662 -28.643 1.00 12.30 N ATOM 432 CA THR A 27 -0.402 -2.064 -28.616 1.00 32.15 C ATOM 433 C THR A 27 -1.217 -2.589 -27.439 1.00 2.02 C ATOM 434 O THR A 27 -0.747 -3.428 -26.669 1.00 41.13 O ATOM 435 CB THR A 27 -1.170 -2.342 -29.922 1.00 32.15 C ATOM 436 OG1 THR A 27 -1.250 -3.753 -30.152 1.00 64.04 O ATOM 437 CG2 THR A 27 -0.490 -1.667 -31.103 1.00 73.22 C ATOM 0 H THR A 27 0.944 -3.639 -28.937 1.00 12.30 H new ATOM 0 HA THR A 27 -0.262 -0.988 -28.507 1.00 32.15 H new ATOM 0 HB THR A 27 -2.176 -1.934 -29.821 1.00 32.15 H new ATOM 0 HG1 THR A 27 -1.741 -3.922 -30.983 1.00 64.04 H new ATOM 0 HG21 THR A 27 -1.050 -1.877 -32.014 1.00 73.22 H new ATOM 0 HG22 THR A 27 -0.458 -0.590 -30.937 1.00 73.22 H new ATOM 0 HG23 THR A 27 0.526 -2.049 -31.205 1.00 73.22 H new ATOM 445 N THR A 28 -2.442 -2.091 -27.304 1.00 1.43 N ATOM 446 CA THR A 28 -3.322 -2.509 -26.220 1.00 71.12 C ATOM 447 C THR A 28 -4.152 -3.722 -26.624 1.00 33.34 C ATOM 448 O THR A 28 -4.654 -4.455 -25.770 1.00 42.45 O ATOM 449 CB THR A 28 -4.269 -1.371 -25.795 1.00 35.42 C ATOM 450 OG1 THR A 28 -5.137 -1.025 -26.880 1.00 42.51 O ATOM 451 CG2 THR A 28 -3.481 -0.146 -25.357 1.00 73.02 C ATOM 0 H THR A 28 -2.847 -1.397 -27.932 1.00 1.43 H new ATOM 0 HA THR A 28 -2.683 -2.773 -25.377 1.00 71.12 H new ATOM 0 HB THR A 28 -4.865 -1.720 -24.951 1.00 35.42 H new ATOM 0 HG1 THR A 28 -5.737 -0.302 -26.601 1.00 42.51 H new ATOM 0 HG21 THR A 28 -4.171 0.644 -25.062 1.00 73.02 H new ATOM 0 HG22 THR A 28 -2.844 -0.406 -24.512 1.00 73.02 H new ATOM 0 HG23 THR A 28 -2.862 0.203 -26.184 1.00 73.02 H new ATOM 459 N ASP A 29 -4.293 -3.930 -27.928 1.00 41.41 N ATOM 460 CA ASP A 29 -5.061 -5.056 -28.445 1.00 34.22 C ATOM 461 C ASP A 29 -4.169 -6.278 -28.641 1.00 35.35 C ATOM 462 O ASP A 29 -4.647 -7.413 -28.651 1.00 14.42 O ATOM 463 CB ASP A 29 -5.731 -4.681 -29.768 1.00 4.42 C ATOM 464 CG ASP A 29 -6.195 -3.238 -29.793 1.00 3.43 C ATOM 465 OD1 ASP A 29 -7.129 -2.901 -29.035 1.00 21.32 O ATOM 466 OD2 ASP A 29 -5.623 -2.444 -30.569 1.00 73.44 O ATOM 0 H ASP A 29 -3.885 -3.333 -28.647 1.00 41.41 H new ATOM 0 HA ASP A 29 -5.831 -5.304 -27.715 1.00 34.22 H new ATOM 0 HB2 ASP A 29 -5.031 -4.849 -30.587 1.00 4.42 H new ATOM 0 HB3 ASP A 29 -6.585 -5.337 -29.939 1.00 4.42 H new ATOM 471 N SER A 30 -2.871 -6.038 -28.797 1.00 35.44 N ATOM 472 CA SER A 30 -1.913 -7.119 -28.997 1.00 51.01 C ATOM 473 C SER A 30 -2.400 -8.084 -30.074 1.00 21.02 C ATOM 474 O SER A 30 -2.858 -9.187 -29.773 1.00 51.55 O ATOM 475 CB SER A 30 -1.682 -7.874 -27.687 1.00 2.34 C ATOM 476 OG SER A 30 -0.557 -7.361 -26.994 1.00 40.52 O ATOM 0 H SER A 30 -2.459 -5.105 -28.789 1.00 35.44 H new ATOM 0 HA SER A 30 -0.971 -6.680 -29.326 1.00 51.01 H new ATOM 0 HB2 SER A 30 -2.568 -7.795 -27.057 1.00 2.34 H new ATOM 0 HB3 SER A 30 -1.533 -8.933 -27.896 1.00 2.34 H new ATOM 0 HG SER A 30 -0.432 -7.859 -26.159 1.00 40.52 H new ATOM 482 N ARG A 31 -2.297 -7.661 -31.329 1.00 51.54 N ATOM 483 CA ARG A 31 -2.728 -8.486 -32.452 1.00 3.44 C ATOM 484 C ARG A 31 -1.528 -9.100 -33.167 1.00 2.51 C ATOM 485 O ARG A 31 -1.564 -9.331 -34.376 1.00 20.04 O ATOM 486 CB ARG A 31 -3.552 -7.654 -33.437 1.00 24.33 C ATOM 487 CG ARG A 31 -4.831 -7.092 -32.838 1.00 61.43 C ATOM 488 CD ARG A 31 -5.848 -8.190 -32.568 1.00 55.23 C ATOM 489 NE ARG A 31 -6.630 -8.516 -33.758 1.00 71.20 N ATOM 490 CZ ARG A 31 -7.505 -9.514 -33.811 1.00 71.24 C ATOM 491 NH1 ARG A 31 -7.709 -10.279 -32.748 1.00 13.23 N ATOM 492 NH2 ARG A 31 -8.178 -9.749 -34.931 1.00 14.35 N ATOM 0 H ARG A 31 -1.919 -6.752 -31.595 1.00 51.54 H new ATOM 0 HA ARG A 31 -3.348 -9.293 -32.061 1.00 3.44 H new ATOM 0 HB2 ARG A 31 -2.940 -6.830 -33.804 1.00 24.33 H new ATOM 0 HB3 ARG A 31 -3.805 -8.272 -34.299 1.00 24.33 H new ATOM 0 HG2 ARG A 31 -4.601 -6.571 -31.909 1.00 61.43 H new ATOM 0 HG3 ARG A 31 -5.260 -6.356 -33.518 1.00 61.43 H new ATOM 0 HD2 ARG A 31 -5.332 -9.084 -32.217 1.00 55.23 H new ATOM 0 HD3 ARG A 31 -6.519 -7.875 -31.769 1.00 55.23 H new ATOM 0 HE ARG A 31 -6.497 -7.946 -34.594 1.00 71.20 H new ATOM 0 HH11 ARG A 31 -7.193 -10.102 -31.886 1.00 13.23 H new ATOM 0 HH12 ARG A 31 -8.382 -11.045 -32.792 1.00 13.23 H new ATOM 0 HH21 ARG A 31 -8.023 -9.163 -35.751 1.00 14.35 H new ATOM 0 HH22 ARG A 31 -8.850 -10.516 -34.971 1.00 14.35 H new ATOM 506 N PHE A 32 -0.466 -9.360 -32.412 1.00 65.42 N ATOM 507 CA PHE A 32 0.746 -9.946 -32.974 1.00 1.10 C ATOM 508 C PHE A 32 0.423 -11.208 -33.769 1.00 15.24 C ATOM 509 O PHE A 32 1.089 -11.520 -34.756 1.00 30.22 O ATOM 510 CB PHE A 32 1.744 -10.273 -31.861 1.00 13.43 C ATOM 511 CG PHE A 32 1.113 -10.924 -30.663 1.00 2.41 C ATOM 512 CD1 PHE A 32 0.817 -12.277 -30.669 1.00 72.14 C ATOM 513 CD2 PHE A 32 0.817 -10.182 -29.530 1.00 64.33 C ATOM 514 CE1 PHE A 32 0.236 -12.878 -29.569 1.00 31.31 C ATOM 515 CE2 PHE A 32 0.237 -10.778 -28.426 1.00 71.25 C ATOM 516 CZ PHE A 32 -0.053 -12.128 -28.446 1.00 33.34 C ATOM 0 H PHE A 32 -0.420 -9.174 -31.410 1.00 65.42 H new ATOM 0 HA PHE A 32 1.192 -9.216 -33.650 1.00 1.10 H new ATOM 0 HB2 PHE A 32 2.516 -10.932 -32.258 1.00 13.43 H new ATOM 0 HB3 PHE A 32 2.240 -9.354 -31.547 1.00 13.43 H new ATOM 0 HD1 PHE A 32 1.043 -12.869 -31.544 1.00 72.14 H new ATOM 0 HD2 PHE A 32 1.042 -9.126 -29.510 1.00 64.33 H new ATOM 0 HE1 PHE A 32 0.008 -13.934 -29.587 1.00 31.31 H new ATOM 0 HE2 PHE A 32 0.011 -10.189 -27.549 1.00 71.25 H new ATOM 0 HZ PHE A 32 -0.505 -12.597 -27.584 1.00 33.34 H new ATOM 526 N ILE A 33 -0.604 -11.929 -33.330 1.00 50.43 N ATOM 527 CA ILE A 33 -1.017 -13.156 -34.000 1.00 45.43 C ATOM 528 C ILE A 33 -1.318 -12.903 -35.474 1.00 4.04 C ATOM 529 O ILE A 33 -0.940 -13.693 -36.338 1.00 45.43 O ATOM 530 CB ILE A 33 -2.260 -13.771 -33.332 1.00 31.20 C ATOM 531 CG1 ILE A 33 -2.706 -15.024 -34.089 1.00 43.35 C ATOM 532 CG2 ILE A 33 -3.388 -12.752 -33.272 1.00 73.32 C ATOM 533 CD1 ILE A 33 -1.624 -16.074 -34.209 1.00 61.23 C ATOM 0 H ILE A 33 -1.165 -11.685 -32.514 1.00 50.43 H new ATOM 0 HA ILE A 33 -0.186 -13.856 -33.916 1.00 45.43 H new ATOM 0 HB ILE A 33 -2.002 -14.058 -32.313 1.00 31.20 H new ATOM 0 HG12 ILE A 33 -3.568 -15.458 -33.581 1.00 43.35 H new ATOM 0 HG13 ILE A 33 -3.035 -14.737 -35.088 1.00 43.35 H new ATOM 0 HG21 ILE A 33 -4.260 -13.202 -32.797 1.00 73.32 H new ATOM 0 HG22 ILE A 33 -3.066 -11.886 -32.693 1.00 73.32 H new ATOM 0 HG23 ILE A 33 -3.648 -12.437 -34.283 1.00 73.32 H new ATOM 0 HD11 ILE A 33 -2.010 -16.934 -34.757 1.00 61.23 H new ATOM 0 HD12 ILE A 33 -0.770 -15.657 -34.743 1.00 61.23 H new ATOM 0 HD13 ILE A 33 -1.311 -16.389 -33.214 1.00 61.23 H new ATOM 545 N GLU A 34 -1.999 -11.796 -35.751 1.00 52.15 N ATOM 546 CA GLU A 34 -2.350 -11.439 -37.121 1.00 62.01 C ATOM 547 C GLU A 34 -1.268 -10.565 -37.750 1.00 31.14 C ATOM 548 O GLU A 34 -0.710 -10.904 -38.793 1.00 51.04 O ATOM 549 CB GLU A 34 -3.694 -10.708 -37.153 1.00 63.22 C ATOM 550 CG GLU A 34 -4.401 -10.794 -38.495 1.00 53.21 C ATOM 551 CD GLU A 34 -5.216 -12.064 -38.645 1.00 40.11 C ATOM 552 OE1 GLU A 34 -6.287 -12.159 -38.010 1.00 74.13 O ATOM 553 OE2 GLU A 34 -4.783 -12.962 -39.396 1.00 64.23 O ATOM 0 H GLU A 34 -2.318 -11.131 -35.046 1.00 52.15 H new ATOM 0 HA GLU A 34 -2.431 -12.359 -37.699 1.00 62.01 H new ATOM 0 HB2 GLU A 34 -4.343 -11.124 -36.382 1.00 63.22 H new ATOM 0 HB3 GLU A 34 -3.534 -9.659 -36.903 1.00 63.22 H new ATOM 0 HG2 GLU A 34 -5.056 -9.931 -38.612 1.00 53.21 H new ATOM 0 HG3 GLU A 34 -3.662 -10.745 -39.295 1.00 53.21 H new ATOM 560 N ASP A 35 -0.978 -9.439 -37.107 1.00 31.42 N ATOM 561 CA ASP A 35 0.037 -8.516 -37.601 1.00 73.24 C ATOM 562 C ASP A 35 1.354 -9.242 -37.855 1.00 43.01 C ATOM 563 O ASP A 35 1.899 -9.194 -38.959 1.00 5.14 O ATOM 564 CB ASP A 35 0.251 -7.378 -36.603 1.00 3.23 C ATOM 565 CG ASP A 35 0.603 -6.069 -37.283 1.00 60.40 C ATOM 566 OD1 ASP A 35 -0.204 -5.596 -38.110 1.00 4.41 O ATOM 567 OD2 ASP A 35 1.685 -5.520 -36.989 1.00 44.32 O ATOM 0 H ASP A 35 -1.432 -9.144 -36.242 1.00 31.42 H new ATOM 0 HA ASP A 35 -0.315 -8.099 -38.545 1.00 73.24 H new ATOM 0 HB2 ASP A 35 -0.654 -7.244 -36.010 1.00 3.23 H new ATOM 0 HB3 ASP A 35 1.048 -7.650 -35.911 1.00 3.23 H new ATOM 572 N LEU A 36 1.862 -9.913 -36.827 1.00 14.11 N ATOM 573 CA LEU A 36 3.116 -10.649 -36.938 1.00 5.54 C ATOM 574 C LEU A 36 2.895 -12.006 -37.596 1.00 64.52 C ATOM 575 O LEU A 36 3.849 -12.696 -37.959 1.00 1.41 O ATOM 576 CB LEU A 36 3.744 -10.836 -35.555 1.00 45.54 C ATOM 577 CG LEU A 36 5.257 -10.627 -35.472 1.00 30.34 C ATOM 578 CD1 LEU A 36 5.986 -11.670 -36.305 1.00 3.05 C ATOM 579 CD2 LEU A 36 5.628 -9.224 -35.927 1.00 1.53 C ATOM 0 H LEU A 36 1.424 -9.962 -35.907 1.00 14.11 H new ATOM 0 HA LEU A 36 3.795 -10.069 -37.564 1.00 5.54 H new ATOM 0 HB2 LEU A 36 3.263 -10.145 -34.863 1.00 45.54 H new ATOM 0 HB3 LEU A 36 3.517 -11.844 -35.208 1.00 45.54 H new ATOM 0 HG LEU A 36 5.564 -10.742 -34.432 1.00 30.34 H new ATOM 0 HD11 LEU A 36 7.061 -11.506 -36.234 1.00 3.05 H new ATOM 0 HD12 LEU A 36 5.746 -12.666 -35.933 1.00 3.05 H new ATOM 0 HD13 LEU A 36 5.674 -11.587 -37.346 1.00 3.05 H new ATOM 0 HD21 LEU A 36 6.708 -9.094 -35.861 1.00 1.53 H new ATOM 0 HD22 LEU A 36 5.307 -9.079 -36.959 1.00 1.53 H new ATOM 0 HD23 LEU A 36 5.135 -8.492 -35.288 1.00 1.53 H new ATOM 591 N LYS A 37 1.631 -12.385 -37.750 1.00 0.21 N ATOM 592 CA LYS A 37 1.283 -13.659 -38.368 1.00 52.42 C ATOM 593 C LYS A 37 1.931 -14.821 -37.623 1.00 5.42 C ATOM 594 O LYS A 37 2.505 -15.720 -38.236 1.00 22.44 O ATOM 595 CB LYS A 37 1.719 -13.673 -39.835 1.00 53.01 C ATOM 596 CG LYS A 37 0.764 -14.426 -40.746 1.00 3.31 C ATOM 597 CD LYS A 37 1.165 -15.884 -40.890 1.00 61.24 C ATOM 598 CE LYS A 37 0.387 -16.569 -42.004 1.00 14.54 C ATOM 599 NZ LYS A 37 1.141 -17.713 -42.586 1.00 1.23 N ATOM 0 H LYS A 37 0.830 -11.827 -37.455 1.00 0.21 H new ATOM 0 HA LYS A 37 0.201 -13.776 -38.315 1.00 52.42 H new ATOM 0 HB2 LYS A 37 1.811 -12.646 -40.188 1.00 53.01 H new ATOM 0 HB3 LYS A 37 2.709 -14.124 -39.907 1.00 53.01 H new ATOM 0 HG2 LYS A 37 -0.248 -14.364 -40.345 1.00 3.31 H new ATOM 0 HG3 LYS A 37 0.748 -13.953 -41.728 1.00 3.31 H new ATOM 0 HD2 LYS A 37 2.233 -15.950 -41.097 1.00 61.24 H new ATOM 0 HD3 LYS A 37 0.990 -16.405 -39.949 1.00 61.24 H new ATOM 0 HE2 LYS A 37 -0.567 -16.924 -41.615 1.00 14.54 H new ATOM 0 HE3 LYS A 37 0.163 -15.846 -42.788 1.00 14.54 H new ATOM 0 HZ1 LYS A 37 0.577 -18.152 -43.341 1.00 1.23 H new ATOM 0 HZ2 LYS A 37 2.041 -17.371 -42.980 1.00 1.23 H new ATOM 0 HZ3 LYS A 37 1.333 -18.416 -41.844 1.00 1.23 H new ATOM 613 N ALA A 38 1.835 -14.795 -36.298 1.00 20.15 N ATOM 614 CA ALA A 38 2.409 -15.848 -35.469 1.00 63.24 C ATOM 615 C ALA A 38 1.731 -17.188 -35.736 1.00 14.54 C ATOM 616 O ALA A 38 0.540 -17.240 -36.043 1.00 35.55 O ATOM 617 CB ALA A 38 2.298 -15.481 -33.997 1.00 21.41 C ATOM 0 H ALA A 38 1.365 -14.056 -35.775 1.00 20.15 H new ATOM 0 HA ALA A 38 3.463 -15.946 -35.728 1.00 63.24 H new ATOM 0 HB1 ALA A 38 2.731 -16.276 -33.390 1.00 21.41 H new ATOM 0 HB2 ALA A 38 2.835 -14.551 -33.812 1.00 21.41 H new ATOM 0 HB3 ALA A 38 1.248 -15.353 -33.732 1.00 21.41 H new ATOM 623 N ASP A 39 2.496 -18.267 -35.617 1.00 53.00 N ATOM 624 CA ASP A 39 1.968 -19.607 -35.845 1.00 33.13 C ATOM 625 C ASP A 39 1.489 -20.232 -34.538 1.00 3.02 C ATOM 626 O ASP A 39 1.675 -19.663 -33.462 1.00 34.30 O ATOM 627 CB ASP A 39 3.033 -20.495 -36.489 1.00 61.41 C ATOM 628 CG ASP A 39 3.407 -20.032 -37.883 1.00 70.34 C ATOM 629 OD1 ASP A 39 2.689 -20.390 -38.841 1.00 35.15 O ATOM 630 OD2 ASP A 39 4.417 -19.311 -38.018 1.00 25.34 O ATOM 0 H ASP A 39 3.484 -18.240 -35.364 1.00 53.00 H new ATOM 0 HA ASP A 39 1.117 -19.525 -36.521 1.00 33.13 H new ATOM 0 HB2 ASP A 39 3.924 -20.503 -35.861 1.00 61.41 H new ATOM 0 HB3 ASP A 39 2.667 -21.521 -36.536 1.00 61.41 H new ATOM 635 N SER A 40 0.872 -21.405 -34.640 1.00 1.24 N ATOM 636 CA SER A 40 0.362 -22.105 -33.466 1.00 44.33 C ATOM 637 C SER A 40 1.483 -22.852 -32.750 1.00 61.22 C ATOM 638 O SER A 40 1.545 -22.872 -31.520 1.00 44.42 O ATOM 639 CB SER A 40 -0.742 -23.083 -33.870 1.00 32.31 C ATOM 640 OG SER A 40 -0.202 -24.228 -34.507 1.00 43.35 O ATOM 0 H SER A 40 0.713 -21.891 -35.523 1.00 1.24 H new ATOM 0 HA SER A 40 -0.052 -21.364 -32.782 1.00 44.33 H new ATOM 0 HB2 SER A 40 -1.305 -23.386 -32.987 1.00 32.31 H new ATOM 0 HB3 SER A 40 -1.444 -22.587 -34.541 1.00 32.31 H new ATOM 0 HG SER A 40 -0.928 -24.838 -34.754 1.00 43.35 H new ATOM 646 N LEU A 41 2.367 -23.467 -33.529 1.00 11.15 N ATOM 647 CA LEU A 41 3.487 -24.217 -32.970 1.00 51.23 C ATOM 648 C LEU A 41 4.544 -23.275 -32.402 1.00 54.01 C ATOM 649 O LEU A 41 5.346 -23.666 -31.554 1.00 43.43 O ATOM 650 CB LEU A 41 4.110 -25.114 -34.041 1.00 52.13 C ATOM 651 CG LEU A 41 5.117 -24.443 -34.976 1.00 23.32 C ATOM 652 CD1 LEU A 41 5.803 -25.479 -35.854 1.00 15.13 C ATOM 653 CD2 LEU A 41 4.431 -23.387 -35.830 1.00 25.10 C ATOM 0 H LEU A 41 2.330 -23.461 -34.548 1.00 11.15 H new ATOM 0 HA LEU A 41 3.108 -24.839 -32.159 1.00 51.23 H new ATOM 0 HB2 LEU A 41 4.606 -25.948 -33.544 1.00 52.13 H new ATOM 0 HB3 LEU A 41 3.307 -25.535 -34.646 1.00 52.13 H new ATOM 0 HG LEU A 41 5.877 -23.952 -34.368 1.00 23.32 H new ATOM 0 HD11 LEU A 41 6.516 -24.983 -36.513 1.00 15.13 H new ATOM 0 HD12 LEU A 41 6.329 -26.198 -35.226 1.00 15.13 H new ATOM 0 HD13 LEU A 41 5.056 -25.999 -36.454 1.00 15.13 H new ATOM 0 HD21 LEU A 41 5.163 -22.920 -36.489 1.00 25.10 H new ATOM 0 HD22 LEU A 41 3.650 -23.855 -36.429 1.00 25.10 H new ATOM 0 HD23 LEU A 41 3.988 -22.628 -35.185 1.00 25.10 H new ATOM 665 N ASP A 42 4.536 -22.033 -32.873 1.00 42.12 N ATOM 666 CA ASP A 42 5.492 -21.034 -32.410 1.00 10.32 C ATOM 667 C ASP A 42 5.050 -20.435 -31.078 1.00 55.02 C ATOM 668 O ASP A 42 5.868 -20.194 -30.190 1.00 42.13 O ATOM 669 CB ASP A 42 5.651 -19.927 -33.453 1.00 42.31 C ATOM 670 CG ASP A 42 6.558 -20.336 -34.597 1.00 53.44 C ATOM 671 OD1 ASP A 42 6.503 -21.515 -35.006 1.00 3.24 O ATOM 672 OD2 ASP A 42 7.321 -19.476 -35.085 1.00 71.33 O ATOM 0 H ASP A 42 3.878 -21.694 -33.575 1.00 42.12 H new ATOM 0 HA ASP A 42 6.453 -21.527 -32.265 1.00 10.32 H new ATOM 0 HB2 ASP A 42 4.671 -19.660 -33.848 1.00 42.31 H new ATOM 0 HB3 ASP A 42 6.055 -19.035 -32.974 1.00 42.31 H new ATOM 677 N THR A 43 3.748 -20.196 -30.946 1.00 5.32 N ATOM 678 CA THR A 43 3.197 -19.623 -29.724 1.00 61.12 C ATOM 679 C THR A 43 3.552 -20.473 -28.510 1.00 35.53 C ATOM 680 O THR A 43 3.579 -19.982 -27.381 1.00 41.45 O ATOM 681 CB THR A 43 1.665 -19.484 -29.810 1.00 64.43 C ATOM 682 OG1 THR A 43 1.141 -20.421 -30.759 1.00 3.44 O ATOM 683 CG2 THR A 43 1.272 -18.072 -30.214 1.00 51.42 C ATOM 0 H THR A 43 3.056 -20.390 -31.670 1.00 5.32 H new ATOM 0 HA THR A 43 3.638 -18.633 -29.612 1.00 61.12 H new ATOM 0 HB THR A 43 1.247 -19.692 -28.825 1.00 64.43 H new ATOM 0 HG1 THR A 43 1.538 -21.303 -30.602 1.00 3.44 H new ATOM 0 HG21 THR A 43 0.186 -17.998 -30.268 1.00 51.42 H new ATOM 0 HG22 THR A 43 1.647 -17.364 -29.475 1.00 51.42 H new ATOM 0 HG23 THR A 43 1.701 -17.840 -31.189 1.00 51.42 H new ATOM 691 N VAL A 44 3.823 -21.753 -28.748 1.00 1.24 N ATOM 692 CA VAL A 44 4.178 -22.672 -27.673 1.00 11.33 C ATOM 693 C VAL A 44 5.333 -22.125 -26.841 1.00 52.01 C ATOM 694 O VAL A 44 5.243 -22.041 -25.617 1.00 23.42 O ATOM 695 CB VAL A 44 4.567 -24.056 -28.224 1.00 31.54 C ATOM 696 CG1 VAL A 44 4.957 -24.992 -27.090 1.00 24.04 C ATOM 697 CG2 VAL A 44 3.427 -24.644 -29.041 1.00 55.45 C ATOM 0 H VAL A 44 3.803 -22.177 -29.676 1.00 1.24 H new ATOM 0 HA VAL A 44 3.296 -22.776 -27.041 1.00 11.33 H new ATOM 0 HB VAL A 44 5.430 -23.937 -28.879 1.00 31.54 H new ATOM 0 HG11 VAL A 44 5.229 -25.965 -27.499 1.00 24.04 H new ATOM 0 HG12 VAL A 44 5.807 -24.575 -26.550 1.00 24.04 H new ATOM 0 HG13 VAL A 44 4.115 -25.107 -26.408 1.00 24.04 H new ATOM 0 HG21 VAL A 44 3.720 -25.622 -29.423 1.00 55.45 H new ATOM 0 HG22 VAL A 44 2.544 -24.750 -28.410 1.00 55.45 H new ATOM 0 HG23 VAL A 44 3.199 -23.982 -29.876 1.00 55.45 H new ATOM 707 N GLU A 45 6.417 -21.754 -27.515 1.00 54.55 N ATOM 708 CA GLU A 45 7.590 -21.215 -26.838 1.00 12.33 C ATOM 709 C GLU A 45 7.427 -19.721 -26.573 1.00 42.44 C ATOM 710 O GLU A 45 7.736 -19.234 -25.485 1.00 4.30 O ATOM 711 CB GLU A 45 8.848 -21.462 -27.673 1.00 55.03 C ATOM 712 CG GLU A 45 10.109 -20.876 -27.062 1.00 42.12 C ATOM 713 CD GLU A 45 11.373 -21.437 -27.683 1.00 65.44 C ATOM 714 OE1 GLU A 45 11.687 -22.619 -27.425 1.00 14.50 O ATOM 715 OE2 GLU A 45 12.049 -20.697 -28.427 1.00 44.52 O ATOM 0 H GLU A 45 6.507 -21.817 -28.529 1.00 54.55 H new ATOM 0 HA GLU A 45 7.692 -21.727 -25.881 1.00 12.33 H new ATOM 0 HB2 GLU A 45 8.983 -22.536 -27.803 1.00 55.03 H new ATOM 0 HB3 GLU A 45 8.704 -21.036 -28.666 1.00 55.03 H new ATOM 0 HG2 GLU A 45 10.098 -19.793 -27.185 1.00 42.12 H new ATOM 0 HG3 GLU A 45 10.116 -21.075 -25.990 1.00 42.12 H new ATOM 722 N LEU A 46 6.940 -18.998 -27.576 1.00 65.23 N ATOM 723 CA LEU A 46 6.737 -17.559 -27.454 1.00 14.21 C ATOM 724 C LEU A 46 5.923 -17.228 -26.207 1.00 74.20 C ATOM 725 O LEU A 46 6.253 -16.303 -25.465 1.00 60.54 O ATOM 726 CB LEU A 46 6.029 -17.017 -28.697 1.00 44.52 C ATOM 727 CG LEU A 46 6.795 -17.145 -30.014 1.00 42.55 C ATOM 728 CD1 LEU A 46 5.966 -16.604 -31.169 1.00 35.51 C ATOM 729 CD2 LEU A 46 8.129 -16.418 -29.928 1.00 45.14 C ATOM 0 H LEU A 46 6.678 -19.385 -28.483 1.00 65.23 H new ATOM 0 HA LEU A 46 7.715 -17.085 -27.364 1.00 14.21 H new ATOM 0 HB2 LEU A 46 5.076 -17.535 -28.802 1.00 44.52 H new ATOM 0 HB3 LEU A 46 5.803 -15.964 -28.532 1.00 44.52 H new ATOM 0 HG LEU A 46 6.990 -18.202 -30.197 1.00 42.55 H new ATOM 0 HD11 LEU A 46 6.528 -16.704 -32.098 1.00 35.51 H new ATOM 0 HD12 LEU A 46 5.036 -17.168 -31.245 1.00 35.51 H new ATOM 0 HD13 LEU A 46 5.739 -15.552 -30.993 1.00 35.51 H new ATOM 0 HD21 LEU A 46 8.660 -16.520 -30.874 1.00 45.14 H new ATOM 0 HD22 LEU A 46 7.955 -15.362 -29.721 1.00 45.14 H new ATOM 0 HD23 LEU A 46 8.728 -16.851 -29.127 1.00 45.14 H new ATOM 741 N MET A 47 4.858 -17.992 -25.982 1.00 3.32 N ATOM 742 CA MET A 47 3.999 -17.782 -24.822 1.00 41.44 C ATOM 743 C MET A 47 4.632 -18.365 -23.563 1.00 65.55 C ATOM 744 O MET A 47 4.410 -17.871 -22.459 1.00 11.50 O ATOM 745 CB MET A 47 2.626 -18.414 -25.057 1.00 20.10 C ATOM 746 CG MET A 47 1.858 -17.790 -26.211 1.00 5.21 C ATOM 747 SD MET A 47 0.153 -18.367 -26.303 1.00 53.34 S ATOM 748 CE MET A 47 0.396 -20.141 -26.324 1.00 21.13 C ATOM 0 H MET A 47 4.570 -18.761 -26.587 1.00 3.32 H new ATOM 0 HA MET A 47 3.877 -16.708 -24.681 1.00 41.44 H new ATOM 0 HB2 MET A 47 2.754 -19.479 -25.250 1.00 20.10 H new ATOM 0 HB3 MET A 47 2.033 -18.324 -24.147 1.00 20.10 H new ATOM 0 HG2 MET A 47 1.865 -16.705 -26.103 1.00 5.21 H new ATOM 0 HG3 MET A 47 2.366 -18.020 -27.147 1.00 5.21 H new ATOM 0 HE1 MET A 47 -0.391 -20.609 -26.915 1.00 21.13 H new ATOM 0 HE2 MET A 47 1.366 -20.370 -26.765 1.00 21.13 H new ATOM 0 HE3 MET A 47 0.361 -20.525 -25.305 1.00 21.13 H new ATOM 758 N MET A 48 5.422 -19.420 -23.738 1.00 71.32 N ATOM 759 CA MET A 48 6.088 -20.070 -22.615 1.00 73.33 C ATOM 760 C MET A 48 6.923 -19.068 -21.825 1.00 21.43 C ATOM 761 O MET A 48 7.076 -19.196 -20.610 1.00 44.53 O ATOM 762 CB MET A 48 6.976 -21.212 -23.113 1.00 71.21 C ATOM 763 CG MET A 48 7.742 -21.914 -22.004 1.00 21.15 C ATOM 764 SD MET A 48 6.699 -23.015 -21.028 1.00 62.34 S ATOM 765 CE MET A 48 7.163 -22.536 -19.366 1.00 34.31 C ATOM 0 H MET A 48 5.616 -19.842 -24.646 1.00 71.32 H new ATOM 0 HA MET A 48 5.321 -20.477 -21.956 1.00 73.33 H new ATOM 0 HB2 MET A 48 6.357 -21.942 -23.634 1.00 71.21 H new ATOM 0 HB3 MET A 48 7.686 -20.819 -23.841 1.00 71.21 H new ATOM 0 HG2 MET A 48 8.561 -22.487 -22.440 1.00 21.15 H new ATOM 0 HG3 MET A 48 8.189 -21.167 -21.348 1.00 21.15 H new ATOM 0 HE1 MET A 48 6.289 -22.582 -18.717 1.00 34.31 H new ATOM 0 HE2 MET A 48 7.929 -23.215 -18.992 1.00 34.31 H new ATOM 0 HE3 MET A 48 7.554 -21.519 -19.376 1.00 34.31 H new ATOM 775 N ALA A 49 7.461 -18.073 -22.522 1.00 2.14 N ATOM 776 CA ALA A 49 8.279 -17.049 -21.884 1.00 4.10 C ATOM 777 C ALA A 49 7.480 -16.281 -20.837 1.00 51.41 C ATOM 778 O ALA A 49 8.051 -15.626 -19.964 1.00 54.33 O ATOM 779 CB ALA A 49 8.839 -16.095 -22.928 1.00 42.54 C ATOM 0 H ALA A 49 7.345 -17.954 -23.528 1.00 2.14 H new ATOM 0 HA ALA A 49 9.108 -17.544 -21.378 1.00 4.10 H new ATOM 0 HB1 ALA A 49 9.448 -15.335 -22.438 1.00 42.54 H new ATOM 0 HB2 ALA A 49 9.453 -16.651 -23.636 1.00 42.54 H new ATOM 0 HB3 ALA A 49 8.018 -15.614 -23.459 1.00 42.54 H new ATOM 785 N ILE A 50 6.157 -16.364 -20.931 1.00 21.43 N ATOM 786 CA ILE A 50 5.280 -15.677 -19.991 1.00 42.01 C ATOM 787 C ILE A 50 5.202 -16.424 -18.664 1.00 63.42 C ATOM 788 O ILE A 50 4.896 -15.837 -17.627 1.00 62.02 O ATOM 789 CB ILE A 50 3.859 -15.517 -20.561 1.00 74.05 C ATOM 790 CG1 ILE A 50 3.894 -14.705 -21.858 1.00 1.12 C ATOM 791 CG2 ILE A 50 2.949 -14.853 -19.539 1.00 1.24 C ATOM 792 CD1 ILE A 50 4.341 -13.273 -21.662 1.00 34.03 C ATOM 0 H ILE A 50 5.669 -16.900 -21.649 1.00 21.43 H new ATOM 0 HA ILE A 50 5.709 -14.689 -19.824 1.00 42.01 H new ATOM 0 HB ILE A 50 3.460 -16.507 -20.784 1.00 74.05 H new ATOM 0 HG12 ILE A 50 4.565 -15.193 -22.565 1.00 1.12 H new ATOM 0 HG13 ILE A 50 2.901 -14.709 -22.307 1.00 1.12 H new ATOM 0 HG21 ILE A 50 1.948 -14.747 -19.957 1.00 1.24 H new ATOM 0 HG22 ILE A 50 2.903 -15.467 -18.639 1.00 1.24 H new ATOM 0 HG23 ILE A 50 3.343 -13.868 -19.287 1.00 1.24 H new ATOM 0 HD11 ILE A 50 4.342 -12.757 -22.622 1.00 34.03 H new ATOM 0 HD12 ILE A 50 3.657 -12.768 -20.980 1.00 34.03 H new ATOM 0 HD13 ILE A 50 5.347 -13.260 -21.242 1.00 34.03 H new ATOM 804 N GLU A 51 5.483 -17.723 -18.705 1.00 63.24 N ATOM 805 CA GLU A 51 5.446 -18.551 -17.505 1.00 52.43 C ATOM 806 C GLU A 51 6.757 -18.446 -16.731 1.00 15.51 C ATOM 807 O GLU A 51 6.760 -18.372 -15.502 1.00 24.00 O ATOM 808 CB GLU A 51 5.174 -20.011 -17.874 1.00 0.43 C ATOM 809 CG GLU A 51 4.067 -20.183 -18.900 1.00 61.32 C ATOM 810 CD GLU A 51 2.851 -19.331 -18.595 1.00 55.03 C ATOM 811 OE1 GLU A 51 1.951 -19.817 -17.878 1.00 71.32 O ATOM 812 OE2 GLU A 51 2.798 -18.179 -19.073 1.00 53.34 O ATOM 0 H GLU A 51 5.739 -18.224 -19.556 1.00 63.24 H new ATOM 0 HA GLU A 51 4.639 -18.188 -16.869 1.00 52.43 H new ATOM 0 HB2 GLU A 51 6.090 -20.456 -18.262 1.00 0.43 H new ATOM 0 HB3 GLU A 51 4.910 -20.562 -16.971 1.00 0.43 H new ATOM 0 HG2 GLU A 51 4.449 -19.924 -19.888 1.00 61.32 H new ATOM 0 HG3 GLU A 51 3.771 -21.231 -18.937 1.00 61.32 H new ATOM 819 N VAL A 52 7.869 -18.440 -17.459 1.00 55.22 N ATOM 820 CA VAL A 52 9.186 -18.343 -16.842 1.00 60.42 C ATOM 821 C VAL A 52 9.459 -16.927 -16.348 1.00 31.45 C ATOM 822 O VAL A 52 10.297 -16.717 -15.471 1.00 54.32 O ATOM 823 CB VAL A 52 10.298 -18.755 -17.825 1.00 72.14 C ATOM 824 CG1 VAL A 52 10.235 -20.249 -18.107 1.00 43.54 C ATOM 825 CG2 VAL A 52 10.191 -17.956 -19.115 1.00 54.32 C ATOM 0 H VAL A 52 7.884 -18.501 -18.477 1.00 55.22 H new ATOM 0 HA VAL A 52 9.189 -19.027 -15.994 1.00 60.42 H new ATOM 0 HB VAL A 52 11.263 -18.536 -17.368 1.00 72.14 H new ATOM 0 HG11 VAL A 52 11.028 -20.522 -18.803 1.00 43.54 H new ATOM 0 HG12 VAL A 52 10.364 -20.801 -17.176 1.00 43.54 H new ATOM 0 HG13 VAL A 52 9.268 -20.496 -18.544 1.00 43.54 H new ATOM 0 HG21 VAL A 52 10.984 -18.260 -19.798 1.00 54.32 H new ATOM 0 HG22 VAL A 52 9.222 -18.142 -19.579 1.00 54.32 H new ATOM 0 HG23 VAL A 52 10.290 -16.893 -18.894 1.00 54.32 H new ATOM 835 N GLU A 53 8.745 -15.960 -16.915 1.00 63.14 N ATOM 836 CA GLU A 53 8.912 -14.563 -16.532 1.00 35.25 C ATOM 837 C GLU A 53 8.065 -14.231 -15.306 1.00 75.24 C ATOM 838 O GLU A 53 8.577 -13.746 -14.297 1.00 74.21 O ATOM 839 CB GLU A 53 8.530 -13.643 -17.693 1.00 64.22 C ATOM 840 CG GLU A 53 8.945 -12.196 -17.485 1.00 71.30 C ATOM 841 CD GLU A 53 10.380 -12.063 -17.015 1.00 3.43 C ATOM 842 OE1 GLU A 53 11.295 -12.234 -17.847 1.00 62.24 O ATOM 843 OE2 GLU A 53 10.589 -11.787 -15.815 1.00 12.21 O ATOM 0 H GLU A 53 8.046 -16.118 -17.641 1.00 63.14 H new ATOM 0 HA GLU A 53 9.961 -14.404 -16.283 1.00 35.25 H new ATOM 0 HB2 GLU A 53 8.990 -14.016 -18.608 1.00 64.22 H new ATOM 0 HB3 GLU A 53 7.451 -13.685 -17.839 1.00 64.22 H new ATOM 0 HG2 GLU A 53 8.820 -11.648 -18.419 1.00 71.30 H new ATOM 0 HG3 GLU A 53 8.283 -11.733 -16.753 1.00 71.30 H new ATOM 850 N TYR A 54 6.766 -14.495 -15.403 1.00 63.20 N ATOM 851 CA TYR A 54 5.847 -14.222 -14.305 1.00 30.02 C ATOM 852 C TYR A 54 6.000 -15.258 -13.196 1.00 31.53 C ATOM 853 O TYR A 54 5.695 -14.991 -12.034 1.00 74.43 O ATOM 854 CB TYR A 54 4.404 -14.210 -14.811 1.00 53.22 C ATOM 855 CG TYR A 54 3.962 -12.867 -15.349 1.00 31.35 C ATOM 856 CD1 TYR A 54 3.670 -11.815 -14.489 1.00 44.02 C ATOM 857 CD2 TYR A 54 3.835 -12.651 -16.715 1.00 71.31 C ATOM 858 CE1 TYR A 54 3.266 -10.587 -14.975 1.00 52.24 C ATOM 859 CE2 TYR A 54 3.432 -11.426 -17.210 1.00 63.22 C ATOM 860 CZ TYR A 54 3.149 -10.397 -16.337 1.00 33.25 C ATOM 861 OH TYR A 54 2.746 -9.176 -16.826 1.00 0.32 O ATOM 0 H TYR A 54 6.327 -14.898 -16.231 1.00 63.20 H new ATOM 0 HA TYR A 54 6.090 -13.241 -13.897 1.00 30.02 H new ATOM 0 HB2 TYR A 54 4.297 -14.959 -15.595 1.00 53.22 H new ATOM 0 HB3 TYR A 54 3.740 -14.503 -13.998 1.00 53.22 H new ATOM 0 HD1 TYR A 54 3.761 -11.960 -13.423 1.00 44.02 H new ATOM 0 HD2 TYR A 54 4.055 -13.455 -17.402 1.00 71.31 H new ATOM 0 HE1 TYR A 54 3.043 -9.780 -14.293 1.00 52.24 H new ATOM 0 HE2 TYR A 54 3.339 -11.275 -18.275 1.00 63.22 H new ATOM 0 HH TYR A 54 2.716 -9.209 -17.805 1.00 0.32 H new ATOM 871 N GLY A 55 6.476 -16.444 -13.564 1.00 62.00 N ATOM 872 CA GLY A 55 6.663 -17.504 -12.590 1.00 54.31 C ATOM 873 C GLY A 55 5.353 -18.135 -12.162 1.00 74.04 C ATOM 874 O GLY A 55 5.294 -18.834 -11.151 1.00 23.53 O ATOM 0 H GLY A 55 6.735 -16.690 -14.519 1.00 62.00 H new ATOM 0 HA2 GLY A 55 7.312 -18.271 -13.013 1.00 54.31 H new ATOM 0 HA3 GLY A 55 7.173 -17.103 -11.714 1.00 54.31 H new ATOM 878 N ILE A 56 4.299 -17.887 -12.933 1.00 32.11 N ATOM 879 CA ILE A 56 2.984 -18.436 -12.627 1.00 73.34 C ATOM 880 C ILE A 56 2.578 -19.493 -13.650 1.00 0.35 C ATOM 881 O ILE A 56 3.356 -19.844 -14.537 1.00 10.41 O ATOM 882 CB ILE A 56 1.908 -17.334 -12.590 1.00 63.44 C ATOM 883 CG1 ILE A 56 1.772 -16.678 -13.966 1.00 32.22 C ATOM 884 CG2 ILE A 56 2.251 -16.295 -11.533 1.00 71.23 C ATOM 885 CD1 ILE A 56 0.641 -15.677 -14.048 1.00 1.31 C ATOM 0 H ILE A 56 4.330 -17.310 -13.773 1.00 32.11 H new ATOM 0 HA ILE A 56 3.056 -18.896 -11.641 1.00 73.34 H new ATOM 0 HB ILE A 56 0.952 -17.788 -12.329 1.00 63.44 H new ATOM 0 HG12 ILE A 56 2.708 -16.178 -14.215 1.00 32.22 H new ATOM 0 HG13 ILE A 56 1.615 -17.454 -14.716 1.00 32.22 H new ATOM 0 HG21 ILE A 56 1.482 -15.523 -11.519 1.00 71.23 H new ATOM 0 HG22 ILE A 56 2.303 -16.774 -10.555 1.00 71.23 H new ATOM 0 HG23 ILE A 56 3.215 -15.843 -11.767 1.00 71.23 H new ATOM 0 HD11 ILE A 56 0.604 -15.252 -15.051 1.00 1.31 H new ATOM 0 HD12 ILE A 56 -0.303 -16.176 -13.830 1.00 1.31 H new ATOM 0 HD13 ILE A 56 0.806 -14.881 -13.322 1.00 1.31 H new ATOM 897 N ASP A 57 1.355 -19.995 -13.520 1.00 10.43 N ATOM 898 CA ASP A 57 0.844 -21.009 -14.434 1.00 32.31 C ATOM 899 C ASP A 57 -0.391 -20.503 -15.172 1.00 35.00 C ATOM 900 O ASP A 57 -1.289 -19.915 -14.568 1.00 54.14 O ATOM 901 CB ASP A 57 0.507 -22.291 -13.670 1.00 64.24 C ATOM 902 CG ASP A 57 1.691 -22.828 -12.890 1.00 2.21 C ATOM 903 OD1 ASP A 57 2.555 -23.490 -13.502 1.00 61.04 O ATOM 904 OD2 ASP A 57 1.754 -22.585 -11.667 1.00 1.22 O ATOM 0 H ASP A 57 0.699 -19.716 -12.790 1.00 10.43 H new ATOM 0 HA ASP A 57 1.620 -21.225 -15.168 1.00 32.31 H new ATOM 0 HB2 ASP A 57 -0.318 -22.096 -12.984 1.00 64.24 H new ATOM 0 HB3 ASP A 57 0.164 -23.050 -14.373 1.00 64.24 H new ATOM 909 N ILE A 58 -0.429 -20.734 -16.480 1.00 32.42 N ATOM 910 CA ILE A 58 -1.554 -20.302 -17.300 1.00 12.25 C ATOM 911 C ILE A 58 -1.956 -21.383 -18.297 1.00 24.10 C ATOM 912 O ILE A 58 -1.387 -21.504 -19.382 1.00 42.52 O ATOM 913 CB ILE A 58 -1.226 -19.007 -18.067 1.00 75.30 C ATOM 914 CG1 ILE A 58 -0.923 -17.871 -17.088 1.00 62.22 C ATOM 915 CG2 ILE A 58 -2.380 -18.629 -18.985 1.00 23.35 C ATOM 916 CD1 ILE A 58 0.519 -17.414 -17.121 1.00 72.33 C ATOM 0 H ILE A 58 0.307 -21.218 -16.995 1.00 32.42 H new ATOM 0 HA ILE A 58 -2.385 -20.112 -16.621 1.00 12.25 H new ATOM 0 HB ILE A 58 -0.341 -19.179 -18.679 1.00 75.30 H new ATOM 0 HG12 ILE A 58 -1.570 -17.024 -17.316 1.00 62.22 H new ATOM 0 HG13 ILE A 58 -1.169 -18.197 -16.078 1.00 62.22 H new ATOM 0 HG21 ILE A 58 -2.134 -17.712 -19.520 1.00 23.35 H new ATOM 0 HG22 ILE A 58 -2.553 -19.432 -19.701 1.00 23.35 H new ATOM 0 HG23 ILE A 58 -3.281 -18.472 -18.391 1.00 23.35 H new ATOM 0 HD11 ILE A 58 0.662 -16.607 -16.402 1.00 72.33 H new ATOM 0 HD12 ILE A 58 1.171 -18.249 -16.864 1.00 72.33 H new ATOM 0 HD13 ILE A 58 0.765 -17.057 -18.121 1.00 72.33 H new ATOM 928 N PRO A 59 -2.961 -22.189 -17.923 1.00 43.14 N ATOM 929 CA PRO A 59 -3.463 -23.273 -18.772 1.00 60.51 C ATOM 930 C PRO A 59 -4.205 -22.754 -19.998 1.00 53.44 C ATOM 931 O PRO A 59 -4.592 -21.586 -20.053 1.00 44.02 O ATOM 932 CB PRO A 59 -4.420 -24.032 -17.849 1.00 53.32 C ATOM 933 CG PRO A 59 -4.858 -23.022 -16.845 1.00 24.00 C ATOM 934 CD PRO A 59 -3.685 -22.103 -16.644 1.00 4.10 C ATOM 0 HA PRO A 59 -2.655 -23.887 -19.169 1.00 60.51 H new ATOM 0 HB2 PRO A 59 -5.269 -24.434 -18.403 1.00 53.32 H new ATOM 0 HB3 PRO A 59 -3.923 -24.876 -17.371 1.00 53.32 H new ATOM 0 HG2 PRO A 59 -5.729 -22.471 -17.200 1.00 24.00 H new ATOM 0 HG3 PRO A 59 -5.144 -23.501 -15.908 1.00 24.00 H new ATOM 0 HD2 PRO A 59 -4.005 -21.083 -16.431 1.00 4.10 H new ATOM 0 HD3 PRO A 59 -3.063 -22.422 -15.808 1.00 4.10 H new ATOM 942 N ASP A 60 -4.402 -23.627 -20.980 1.00 23.34 N ATOM 943 CA ASP A 60 -5.100 -23.256 -22.205 1.00 64.53 C ATOM 944 C ASP A 60 -6.425 -22.570 -21.890 1.00 4.44 C ATOM 945 O ASP A 60 -6.801 -21.595 -22.541 1.00 62.34 O ATOM 946 CB ASP A 60 -5.345 -24.493 -23.071 1.00 55.14 C ATOM 947 CG ASP A 60 -4.066 -25.241 -23.390 1.00 3.42 C ATOM 948 OD1 ASP A 60 -2.975 -24.685 -23.140 1.00 14.33 O ATOM 949 OD2 ASP A 60 -4.154 -26.382 -23.888 1.00 52.02 O ATOM 0 H ASP A 60 -4.088 -24.597 -20.951 1.00 23.34 H new ATOM 0 HA ASP A 60 -4.471 -22.555 -22.754 1.00 64.53 H new ATOM 0 HB2 ASP A 60 -6.035 -25.162 -22.556 1.00 55.14 H new ATOM 0 HB3 ASP A 60 -5.827 -24.192 -24.001 1.00 55.14 H new ATOM 954 N ASP A 61 -7.128 -23.084 -20.887 1.00 23.40 N ATOM 955 CA ASP A 61 -8.411 -22.521 -20.485 1.00 11.24 C ATOM 956 C ASP A 61 -8.280 -21.031 -20.183 1.00 22.33 C ATOM 957 O ASP A 61 -9.183 -20.248 -20.474 1.00 1.14 O ATOM 958 CB ASP A 61 -8.953 -23.257 -19.258 1.00 53.42 C ATOM 959 CG ASP A 61 -9.449 -24.650 -19.591 1.00 54.14 C ATOM 960 OD1 ASP A 61 -10.474 -24.762 -20.297 1.00 63.43 O ATOM 961 OD2 ASP A 61 -8.813 -25.628 -19.147 1.00 41.21 O ATOM 0 H ASP A 61 -6.831 -23.890 -20.337 1.00 23.40 H new ATOM 0 HA ASP A 61 -9.110 -22.646 -21.312 1.00 11.24 H new ATOM 0 HB2 ASP A 61 -8.170 -23.324 -18.503 1.00 53.42 H new ATOM 0 HB3 ASP A 61 -9.768 -22.679 -18.822 1.00 53.42 H new ATOM 966 N GLU A 62 -7.150 -20.649 -19.597 1.00 5.33 N ATOM 967 CA GLU A 62 -6.902 -19.253 -19.254 1.00 20.22 C ATOM 968 C GLU A 62 -5.886 -18.631 -20.207 1.00 43.21 C ATOM 969 O GLU A 62 -5.378 -17.537 -19.962 1.00 51.10 O ATOM 970 CB GLU A 62 -6.401 -19.140 -17.812 1.00 73.14 C ATOM 971 CG GLU A 62 -7.225 -19.941 -16.817 1.00 41.55 C ATOM 972 CD GLU A 62 -8.669 -19.483 -16.754 1.00 12.01 C ATOM 973 OE1 GLU A 62 -8.915 -18.270 -16.924 1.00 24.21 O ATOM 974 OE2 GLU A 62 -9.553 -20.337 -16.534 1.00 55.31 O ATOM 0 H GLU A 62 -6.392 -21.286 -19.350 1.00 5.33 H new ATOM 0 HA GLU A 62 -7.842 -18.710 -19.348 1.00 20.22 H new ATOM 0 HB2 GLU A 62 -5.365 -19.478 -17.768 1.00 73.14 H new ATOM 0 HB3 GLU A 62 -6.407 -18.091 -17.515 1.00 73.14 H new ATOM 0 HG2 GLU A 62 -7.194 -20.996 -17.091 1.00 41.55 H new ATOM 0 HG3 GLU A 62 -6.777 -19.855 -15.827 1.00 41.55 H new ATOM 981 N ALA A 63 -5.594 -19.337 -21.295 1.00 2.34 N ATOM 982 CA ALA A 63 -4.640 -18.854 -22.285 1.00 50.15 C ATOM 983 C ALA A 63 -5.221 -17.695 -23.088 1.00 13.32 C ATOM 984 O ALA A 63 -4.494 -16.968 -23.766 1.00 70.52 O ATOM 985 CB ALA A 63 -4.225 -19.986 -23.214 1.00 55.41 C ATOM 0 H ALA A 63 -6.005 -20.245 -21.513 1.00 2.34 H new ATOM 0 HA ALA A 63 -3.759 -18.490 -21.757 1.00 50.15 H new ATOM 0 HB1 ALA A 63 -3.512 -19.611 -23.949 1.00 55.41 H new ATOM 0 HB2 ALA A 63 -3.761 -20.783 -22.632 1.00 55.41 H new ATOM 0 HB3 ALA A 63 -5.104 -20.376 -23.727 1.00 55.41 H new ATOM 991 N THR A 64 -6.538 -17.526 -23.007 1.00 24.21 N ATOM 992 CA THR A 64 -7.217 -16.456 -23.727 1.00 21.51 C ATOM 993 C THR A 64 -7.657 -15.348 -22.778 1.00 0.15 C ATOM 994 O THR A 64 -8.509 -14.527 -23.117 1.00 52.14 O ATOM 995 CB THR A 64 -8.448 -16.985 -24.487 1.00 51.41 C ATOM 996 OG1 THR A 64 -9.354 -17.616 -23.575 1.00 4.31 O ATOM 997 CG2 THR A 64 -8.035 -17.975 -25.566 1.00 5.45 C ATOM 0 H THR A 64 -7.155 -18.117 -22.450 1.00 24.21 H new ATOM 0 HA THR A 64 -6.502 -16.053 -24.444 1.00 21.51 H new ATOM 0 HB THR A 64 -8.943 -16.139 -24.963 1.00 51.41 H new ATOM 0 HG1 THR A 64 -10.134 -17.948 -24.066 1.00 4.31 H new ATOM 0 HG21 THR A 64 -8.921 -18.334 -26.089 1.00 5.45 H new ATOM 0 HG22 THR A 64 -7.370 -17.483 -26.276 1.00 5.45 H new ATOM 0 HG23 THR A 64 -7.517 -18.818 -25.108 1.00 5.45 H new ATOM 1005 N LYS A 65 -7.070 -15.329 -21.585 1.00 54.35 N ATOM 1006 CA LYS A 65 -7.400 -14.319 -20.586 1.00 60.42 C ATOM 1007 C LYS A 65 -6.170 -13.494 -20.220 1.00 74.41 C ATOM 1008 O LYS A 65 -6.210 -12.680 -19.297 1.00 72.30 O ATOM 1009 CB LYS A 65 -7.974 -14.982 -19.332 1.00 74.21 C ATOM 1010 CG LYS A 65 -9.472 -15.223 -19.403 1.00 55.32 C ATOM 1011 CD LYS A 65 -10.254 -13.939 -19.181 1.00 75.01 C ATOM 1012 CE LYS A 65 -10.136 -13.456 -17.744 1.00 2.41 C ATOM 1013 NZ LYS A 65 -10.999 -12.270 -17.484 1.00 44.15 N ATOM 0 H LYS A 65 -6.364 -16.002 -21.287 1.00 54.35 H new ATOM 0 HA LYS A 65 -8.149 -13.652 -21.013 1.00 60.42 H new ATOM 0 HB2 LYS A 65 -7.469 -15.934 -19.171 1.00 74.21 H new ATOM 0 HB3 LYS A 65 -7.756 -14.355 -18.467 1.00 74.21 H new ATOM 0 HG2 LYS A 65 -9.728 -15.643 -20.376 1.00 55.32 H new ATOM 0 HG3 LYS A 65 -9.759 -15.959 -18.652 1.00 55.32 H new ATOM 0 HD2 LYS A 65 -9.887 -13.167 -19.857 1.00 75.01 H new ATOM 0 HD3 LYS A 65 -11.303 -14.104 -19.426 1.00 75.01 H new ATOM 0 HE2 LYS A 65 -10.414 -14.263 -17.066 1.00 2.41 H new ATOM 0 HE3 LYS A 65 -9.098 -13.203 -17.530 1.00 2.41 H new ATOM 0 HZ1 LYS A 65 -10.572 -11.687 -16.736 1.00 44.15 H new ATOM 0 HZ2 LYS A 65 -11.087 -11.707 -18.354 1.00 44.15 H new ATOM 0 HZ3 LYS A 65 -11.942 -12.587 -17.180 1.00 44.15 H new ATOM 1027 N ILE A 66 -5.081 -13.709 -20.950 1.00 22.14 N ATOM 1028 CA ILE A 66 -3.841 -12.983 -20.702 1.00 73.14 C ATOM 1029 C ILE A 66 -3.112 -12.681 -22.007 1.00 24.11 C ATOM 1030 O ILE A 66 -1.937 -12.313 -22.003 1.00 42.25 O ATOM 1031 CB ILE A 66 -2.902 -13.773 -19.773 1.00 23.43 C ATOM 1032 CG1 ILE A 66 -2.123 -14.822 -20.570 1.00 52.11 C ATOM 1033 CG2 ILE A 66 -3.695 -14.432 -18.654 1.00 23.21 C ATOM 1034 CD1 ILE A 66 -3.004 -15.713 -21.417 1.00 61.25 C ATOM 0 H ILE A 66 -5.032 -14.379 -21.717 1.00 22.14 H new ATOM 0 HA ILE A 66 -4.115 -12.047 -20.216 1.00 73.14 H new ATOM 0 HB ILE A 66 -2.189 -13.079 -19.327 1.00 23.43 H new ATOM 0 HG12 ILE A 66 -1.404 -14.317 -21.215 1.00 52.11 H new ATOM 0 HG13 ILE A 66 -1.551 -15.441 -19.879 1.00 52.11 H new ATOM 0 HG21 ILE A 66 -3.017 -14.987 -18.006 1.00 23.21 H new ATOM 0 HG22 ILE A 66 -4.208 -13.666 -18.072 1.00 23.21 H new ATOM 0 HG23 ILE A 66 -4.429 -15.115 -19.082 1.00 23.21 H new ATOM 0 HD11 ILE A 66 -2.385 -16.432 -21.954 1.00 61.25 H new ATOM 0 HD12 ILE A 66 -3.706 -16.246 -20.776 1.00 61.25 H new ATOM 0 HD13 ILE A 66 -3.557 -15.104 -22.133 1.00 61.25 H new ATOM 1046 N LYS A 67 -3.816 -12.838 -23.122 1.00 52.14 N ATOM 1047 CA LYS A 67 -3.238 -12.579 -24.436 1.00 30.42 C ATOM 1048 C LYS A 67 -3.100 -11.081 -24.684 1.00 53.33 C ATOM 1049 O LYS A 67 -2.068 -10.612 -25.165 1.00 24.42 O ATOM 1050 CB LYS A 67 -4.102 -13.211 -25.529 1.00 72.15 C ATOM 1051 CG LYS A 67 -3.338 -13.523 -26.804 1.00 63.14 C ATOM 1052 CD LYS A 67 -3.728 -14.878 -27.371 1.00 42.11 C ATOM 1053 CE LYS A 67 -2.676 -15.933 -27.067 1.00 24.32 C ATOM 1054 NZ LYS A 67 -2.505 -16.140 -25.602 1.00 44.10 N ATOM 0 H LYS A 67 -4.789 -13.144 -23.143 1.00 52.14 H new ATOM 0 HA LYS A 67 -2.244 -13.026 -24.463 1.00 30.42 H new ATOM 0 HB2 LYS A 67 -4.543 -14.131 -25.145 1.00 72.15 H new ATOM 0 HB3 LYS A 67 -4.926 -12.537 -25.765 1.00 72.15 H new ATOM 0 HG2 LYS A 67 -3.533 -12.748 -27.545 1.00 63.14 H new ATOM 0 HG3 LYS A 67 -2.267 -13.507 -26.601 1.00 63.14 H new ATOM 0 HD2 LYS A 67 -4.686 -15.187 -26.952 1.00 42.11 H new ATOM 0 HD3 LYS A 67 -3.863 -14.797 -28.450 1.00 42.11 H new ATOM 0 HE2 LYS A 67 -2.960 -16.875 -27.536 1.00 24.32 H new ATOM 0 HE3 LYS A 67 -1.724 -15.633 -27.505 1.00 24.32 H new ATOM 0 HZ1 LYS A 67 -1.792 -16.879 -25.437 1.00 44.10 H new ATOM 0 HZ2 LYS A 67 -2.193 -15.252 -25.160 1.00 44.10 H new ATOM 0 HZ3 LYS A 67 -3.411 -16.434 -25.185 1.00 44.10 H new ATOM 1068 N THR A 68 -4.147 -10.332 -24.353 1.00 13.44 N ATOM 1069 CA THR A 68 -4.143 -8.886 -24.539 1.00 61.24 C ATOM 1070 C THR A 68 -3.449 -8.184 -23.378 1.00 14.23 C ATOM 1071 O THR A 68 -3.301 -8.751 -22.295 1.00 64.55 O ATOM 1072 CB THR A 68 -5.574 -8.333 -24.678 1.00 61.33 C ATOM 1073 OG1 THR A 68 -6.513 -9.257 -24.117 1.00 63.40 O ATOM 1074 CG2 THR A 68 -5.916 -8.079 -26.138 1.00 52.44 C ATOM 0 H THR A 68 -5.009 -10.703 -23.954 1.00 13.44 H new ATOM 0 HA THR A 68 -3.594 -8.688 -25.460 1.00 61.24 H new ATOM 0 HB THR A 68 -5.629 -7.388 -24.138 1.00 61.33 H new ATOM 0 HG1 THR A 68 -7.424 -8.978 -24.347 1.00 63.40 H new ATOM 0 HG21 THR A 68 -6.931 -7.689 -26.211 1.00 52.44 H new ATOM 0 HG22 THR A 68 -5.217 -7.353 -26.554 1.00 52.44 H new ATOM 0 HG23 THR A 68 -5.845 -9.013 -26.696 1.00 52.44 H new ATOM 1082 N VAL A 69 -3.027 -6.945 -23.608 1.00 40.25 N ATOM 1083 CA VAL A 69 -2.350 -6.164 -22.580 1.00 14.31 C ATOM 1084 C VAL A 69 -3.289 -5.854 -21.419 1.00 23.01 C ATOM 1085 O VAL A 69 -2.856 -5.735 -20.273 1.00 13.14 O ATOM 1086 CB VAL A 69 -1.802 -4.842 -23.149 1.00 1.30 C ATOM 1087 CG1 VAL A 69 -1.135 -4.025 -22.053 1.00 45.42 C ATOM 1088 CG2 VAL A 69 -0.831 -5.115 -24.288 1.00 54.52 C ATOM 0 H VAL A 69 -3.142 -6.460 -24.498 1.00 40.25 H new ATOM 0 HA VAL A 69 -1.518 -6.768 -22.220 1.00 14.31 H new ATOM 0 HB VAL A 69 -2.636 -4.262 -23.544 1.00 1.30 H new ATOM 0 HG11 VAL A 69 -0.754 -3.094 -22.474 1.00 45.42 H new ATOM 0 HG12 VAL A 69 -1.863 -3.800 -21.273 1.00 45.42 H new ATOM 0 HG13 VAL A 69 -0.310 -4.595 -21.626 1.00 45.42 H new ATOM 0 HG21 VAL A 69 -0.453 -4.170 -24.679 1.00 54.52 H new ATOM 0 HG22 VAL A 69 0.002 -5.715 -23.920 1.00 54.52 H new ATOM 0 HG23 VAL A 69 -1.345 -5.656 -25.082 1.00 54.52 H new ATOM 1098 N SER A 70 -4.576 -5.725 -21.724 1.00 31.22 N ATOM 1099 CA SER A 70 -5.576 -5.426 -20.706 1.00 14.11 C ATOM 1100 C SER A 70 -6.020 -6.698 -19.989 1.00 42.14 C ATOM 1101 O SER A 70 -6.424 -6.660 -18.827 1.00 65.10 O ATOM 1102 CB SER A 70 -6.786 -4.735 -21.337 1.00 54.34 C ATOM 1103 OG SER A 70 -7.504 -3.982 -20.375 1.00 21.35 O ATOM 0 H SER A 70 -4.951 -5.823 -22.668 1.00 31.22 H new ATOM 0 HA SER A 70 -5.124 -4.756 -19.974 1.00 14.11 H new ATOM 0 HB2 SER A 70 -6.455 -4.080 -22.143 1.00 54.34 H new ATOM 0 HB3 SER A 70 -7.443 -5.482 -21.783 1.00 54.34 H new ATOM 0 HG SER A 70 -8.271 -3.549 -20.804 1.00 21.35 H new ATOM 1109 N ASP A 71 -5.941 -7.823 -20.692 1.00 14.32 N ATOM 1110 CA ASP A 71 -6.333 -9.108 -20.124 1.00 52.51 C ATOM 1111 C ASP A 71 -5.197 -9.707 -19.301 1.00 14.24 C ATOM 1112 O ASP A 71 -5.429 -10.325 -18.262 1.00 30.42 O ATOM 1113 CB ASP A 71 -6.741 -10.077 -21.235 1.00 11.24 C ATOM 1114 CG ASP A 71 -8.084 -9.727 -21.844 1.00 54.20 C ATOM 1115 OD1 ASP A 71 -8.483 -8.546 -21.764 1.00 13.15 O ATOM 1116 OD2 ASP A 71 -8.737 -10.634 -22.402 1.00 45.52 O ATOM 0 H ASP A 71 -5.609 -7.871 -21.655 1.00 14.32 H new ATOM 0 HA ASP A 71 -7.186 -8.942 -19.466 1.00 52.51 H new ATOM 0 HB2 ASP A 71 -5.979 -10.072 -22.015 1.00 11.24 H new ATOM 0 HB3 ASP A 71 -6.780 -11.090 -20.834 1.00 11.24 H new ATOM 1121 N VAL A 72 -3.969 -9.520 -19.772 1.00 43.04 N ATOM 1122 CA VAL A 72 -2.796 -10.042 -19.080 1.00 55.11 C ATOM 1123 C VAL A 72 -2.619 -9.375 -17.721 1.00 5.30 C ATOM 1124 O VAL A 72 -2.236 -10.022 -16.746 1.00 23.01 O ATOM 1125 CB VAL A 72 -1.516 -9.837 -19.912 1.00 32.33 C ATOM 1126 CG1 VAL A 72 -1.309 -8.362 -20.220 1.00 35.22 C ATOM 1127 CG2 VAL A 72 -0.311 -10.412 -19.183 1.00 62.45 C ATOM 0 H VAL A 72 -3.760 -9.011 -20.631 1.00 43.04 H new ATOM 0 HA VAL A 72 -2.960 -11.110 -18.939 1.00 55.11 H new ATOM 0 HB VAL A 72 -1.629 -10.368 -20.857 1.00 32.33 H new ATOM 0 HG11 VAL A 72 -0.400 -8.237 -20.808 1.00 35.22 H new ATOM 0 HG12 VAL A 72 -2.162 -7.985 -20.785 1.00 35.22 H new ATOM 0 HG13 VAL A 72 -1.217 -7.805 -19.288 1.00 35.22 H new ATOM 0 HG21 VAL A 72 0.585 -10.259 -19.784 1.00 62.45 H new ATOM 0 HG22 VAL A 72 -0.193 -9.910 -18.222 1.00 62.45 H new ATOM 0 HG23 VAL A 72 -0.460 -11.479 -19.019 1.00 62.45 H new ATOM 1137 N ILE A 73 -2.899 -8.077 -17.664 1.00 33.23 N ATOM 1138 CA ILE A 73 -2.772 -7.323 -16.423 1.00 42.42 C ATOM 1139 C ILE A 73 -4.014 -7.482 -15.553 1.00 2.41 C ATOM 1140 O ILE A 73 -3.953 -7.337 -14.332 1.00 23.13 O ATOM 1141 CB ILE A 73 -2.539 -5.825 -16.697 1.00 4.02 C ATOM 1142 CG1 ILE A 73 -1.273 -5.628 -17.534 1.00 21.14 C ATOM 1143 CG2 ILE A 73 -2.439 -5.057 -15.387 1.00 53.44 C ATOM 1144 CD1 ILE A 73 -0.046 -6.282 -16.937 1.00 74.42 C ATOM 0 H ILE A 73 -3.215 -7.526 -18.462 1.00 33.23 H new ATOM 0 HA ILE A 73 -1.908 -7.727 -15.895 1.00 42.42 H new ATOM 0 HB ILE A 73 -3.388 -5.437 -17.260 1.00 4.02 H new ATOM 0 HG12 ILE A 73 -1.441 -6.032 -18.532 1.00 21.14 H new ATOM 0 HG13 ILE A 73 -1.086 -4.560 -17.649 1.00 21.14 H new ATOM 0 HG21 ILE A 73 -2.274 -4.000 -15.597 1.00 53.44 H new ATOM 0 HG22 ILE A 73 -3.365 -5.175 -14.824 1.00 53.44 H new ATOM 0 HG23 ILE A 73 -1.606 -5.445 -14.801 1.00 53.44 H new ATOM 0 HD11 ILE A 73 0.813 -6.102 -17.583 1.00 74.42 H new ATOM 0 HD12 ILE A 73 0.147 -5.861 -15.950 1.00 74.42 H new ATOM 0 HD13 ILE A 73 -0.213 -7.355 -16.847 1.00 74.42 H new ATOM 1156 N LYS A 74 -5.141 -7.782 -16.189 1.00 41.23 N ATOM 1157 CA LYS A 74 -6.398 -7.964 -15.474 1.00 74.33 C ATOM 1158 C LYS A 74 -6.489 -9.367 -14.882 1.00 1.02 C ATOM 1159 O LYS A 74 -7.044 -9.560 -13.800 1.00 12.41 O ATOM 1160 CB LYS A 74 -7.582 -7.718 -16.412 1.00 54.11 C ATOM 1161 CG LYS A 74 -8.935 -7.915 -15.749 1.00 63.22 C ATOM 1162 CD LYS A 74 -9.439 -9.338 -15.924 1.00 54.34 C ATOM 1163 CE LYS A 74 -10.135 -9.841 -14.669 1.00 23.02 C ATOM 1164 NZ LYS A 74 -11.452 -9.178 -14.461 1.00 21.25 N ATOM 0 H LYS A 74 -5.209 -7.904 -17.199 1.00 41.23 H new ATOM 0 HA LYS A 74 -6.431 -7.241 -14.659 1.00 74.33 H new ATOM 0 HB2 LYS A 74 -7.522 -6.701 -16.800 1.00 54.11 H new ATOM 0 HB3 LYS A 74 -7.504 -8.391 -17.266 1.00 54.11 H new ATOM 0 HG2 LYS A 74 -8.858 -7.683 -14.687 1.00 63.22 H new ATOM 0 HG3 LYS A 74 -9.656 -7.218 -16.176 1.00 63.22 H new ATOM 0 HD2 LYS A 74 -10.130 -9.379 -16.766 1.00 54.34 H new ATOM 0 HD3 LYS A 74 -8.603 -9.994 -16.165 1.00 54.34 H new ATOM 0 HE2 LYS A 74 -10.279 -10.919 -14.741 1.00 23.02 H new ATOM 0 HE3 LYS A 74 -9.497 -9.661 -13.803 1.00 23.02 H new ATOM 0 HZ1 LYS A 74 -11.894 -9.548 -13.596 1.00 21.25 H new ATOM 0 HZ2 LYS A 74 -11.313 -8.152 -14.367 1.00 21.25 H new ATOM 0 HZ3 LYS A 74 -12.070 -9.370 -15.275 1.00 21.25 H new ATOM 1178 N TYR A 75 -5.939 -10.342 -15.596 1.00 71.53 N ATOM 1179 CA TYR A 75 -5.959 -11.728 -15.141 1.00 42.43 C ATOM 1180 C TYR A 75 -4.825 -11.993 -14.155 1.00 74.21 C ATOM 1181 O TYR A 75 -5.064 -12.332 -12.995 1.00 64.05 O ATOM 1182 CB TYR A 75 -5.846 -12.680 -16.333 1.00 52.42 C ATOM 1183 CG TYR A 75 -5.773 -14.137 -15.939 1.00 21.41 C ATOM 1184 CD1 TYR A 75 -4.561 -14.725 -15.598 1.00 3.11 C ATOM 1185 CD2 TYR A 75 -6.915 -14.928 -15.908 1.00 52.34 C ATOM 1186 CE1 TYR A 75 -4.489 -16.057 -15.238 1.00 4.43 C ATOM 1187 CE2 TYR A 75 -6.853 -16.260 -15.548 1.00 2.30 C ATOM 1188 CZ TYR A 75 -5.637 -16.820 -15.214 1.00 14.33 C ATOM 1189 OH TYR A 75 -5.571 -18.147 -14.856 1.00 1.34 O ATOM 0 H TYR A 75 -5.474 -10.199 -16.492 1.00 71.53 H new ATOM 0 HA TYR A 75 -6.907 -11.904 -14.633 1.00 42.43 H new ATOM 0 HB2 TYR A 75 -6.705 -12.532 -16.988 1.00 52.42 H new ATOM 0 HB3 TYR A 75 -4.957 -12.423 -16.909 1.00 52.42 H new ATOM 0 HD1 TYR A 75 -3.660 -14.130 -15.615 1.00 3.11 H new ATOM 0 HD2 TYR A 75 -7.868 -14.493 -16.170 1.00 52.34 H new ATOM 0 HE1 TYR A 75 -3.538 -16.498 -14.977 1.00 4.43 H new ATOM 0 HE2 TYR A 75 -7.751 -16.860 -15.528 1.00 2.30 H new ATOM 0 HH TYR A 75 -6.245 -18.335 -14.170 1.00 1.34 H new ATOM 1199 N ILE A 76 -3.592 -11.836 -14.625 1.00 35.22 N ATOM 1200 CA ILE A 76 -2.422 -12.057 -13.785 1.00 3.10 C ATOM 1201 C ILE A 76 -2.563 -11.341 -12.446 1.00 42.10 C ATOM 1202 O ILE A 76 -2.144 -11.853 -11.408 1.00 30.52 O ATOM 1203 CB ILE A 76 -1.133 -11.576 -14.478 1.00 70.50 C ATOM 1204 CG1 ILE A 76 -0.887 -12.378 -15.758 1.00 11.00 C ATOM 1205 CG2 ILE A 76 0.053 -11.699 -13.534 1.00 5.03 C ATOM 1206 CD1 ILE A 76 0.368 -11.967 -16.496 1.00 73.53 C ATOM 0 H ILE A 76 -3.378 -11.557 -15.582 1.00 35.22 H new ATOM 0 HA ILE A 76 -2.354 -13.131 -13.614 1.00 3.10 H new ATOM 0 HB ILE A 76 -1.252 -10.526 -14.746 1.00 70.50 H new ATOM 0 HG12 ILE A 76 -0.821 -13.437 -15.507 1.00 11.00 H new ATOM 0 HG13 ILE A 76 -1.744 -12.260 -16.421 1.00 11.00 H new ATOM 0 HG21 ILE A 76 0.956 -11.355 -14.038 1.00 5.03 H new ATOM 0 HG22 ILE A 76 -0.123 -11.089 -12.648 1.00 5.03 H new ATOM 0 HG23 ILE A 76 0.176 -12.741 -13.239 1.00 5.03 H new ATOM 0 HD11 ILE A 76 0.479 -12.577 -17.393 1.00 73.53 H new ATOM 0 HD12 ILE A 76 0.297 -10.917 -16.778 1.00 73.53 H new ATOM 0 HD13 ILE A 76 1.234 -12.111 -15.850 1.00 73.53 H new ATOM 1218 N LYS A 77 -3.157 -10.153 -12.476 1.00 72.04 N ATOM 1219 CA LYS A 77 -3.358 -9.366 -11.265 1.00 64.04 C ATOM 1220 C LYS A 77 -4.032 -10.199 -10.180 1.00 61.43 C ATOM 1221 O LYS A 77 -3.689 -10.096 -9.003 1.00 64.02 O ATOM 1222 CB LYS A 77 -4.203 -8.128 -11.571 1.00 41.44 C ATOM 1223 CG LYS A 77 -4.772 -7.458 -10.332 1.00 73.54 C ATOM 1224 CD LYS A 77 -4.951 -5.964 -10.538 1.00 40.41 C ATOM 1225 CE LYS A 77 -5.787 -5.344 -9.429 1.00 32.32 C ATOM 1226 NZ LYS A 77 -4.945 -4.882 -8.291 1.00 43.34 N ATOM 0 H LYS A 77 -3.508 -9.714 -13.327 1.00 72.04 H new ATOM 0 HA LYS A 77 -2.380 -9.050 -10.901 1.00 64.04 H new ATOM 0 HB2 LYS A 77 -3.593 -7.407 -12.115 1.00 41.44 H new ATOM 0 HB3 LYS A 77 -5.024 -8.412 -12.229 1.00 41.44 H new ATOM 0 HG2 LYS A 77 -5.732 -7.909 -10.082 1.00 73.54 H new ATOM 0 HG3 LYS A 77 -4.108 -7.632 -9.486 1.00 73.54 H new ATOM 0 HD2 LYS A 77 -3.974 -5.481 -10.572 1.00 40.41 H new ATOM 0 HD3 LYS A 77 -5.430 -5.783 -11.500 1.00 40.41 H new ATOM 0 HE2 LYS A 77 -6.352 -4.502 -9.828 1.00 32.32 H new ATOM 0 HE3 LYS A 77 -6.513 -6.074 -9.071 1.00 32.32 H new ATOM 0 HZ1 LYS A 77 -5.552 -4.466 -7.556 1.00 43.34 H new ATOM 0 HZ2 LYS A 77 -4.425 -5.690 -7.893 1.00 43.34 H new ATOM 0 HZ3 LYS A 77 -4.269 -4.167 -8.627 1.00 43.34 H new ATOM 1240 N GLU A 78 -4.992 -11.025 -10.585 1.00 65.54 N ATOM 1241 CA GLU A 78 -5.713 -11.877 -9.646 1.00 45.43 C ATOM 1242 C GLU A 78 -5.020 -13.228 -9.495 1.00 74.21 C ATOM 1243 O GLU A 78 -5.266 -13.960 -8.536 1.00 14.42 O ATOM 1244 CB GLU A 78 -7.156 -12.080 -10.112 1.00 42.41 C ATOM 1245 CG GLU A 78 -8.167 -12.081 -8.978 1.00 20.00 C ATOM 1246 CD GLU A 78 -9.312 -13.045 -9.219 1.00 32.34 C ATOM 1247 OE1 GLU A 78 -9.081 -14.271 -9.153 1.00 3.52 O ATOM 1248 OE2 GLU A 78 -10.440 -12.574 -9.473 1.00 15.24 O ATOM 0 H GLU A 78 -5.288 -11.122 -11.556 1.00 65.54 H new ATOM 0 HA GLU A 78 -5.719 -11.381 -8.675 1.00 45.43 H new ATOM 0 HB2 GLU A 78 -7.415 -11.291 -10.818 1.00 42.41 H new ATOM 0 HB3 GLU A 78 -7.226 -13.025 -10.650 1.00 42.41 H new ATOM 0 HG2 GLU A 78 -7.664 -12.345 -8.048 1.00 20.00 H new ATOM 0 HG3 GLU A 78 -8.565 -11.074 -8.850 1.00 20.00 H new ATOM 1255 N ARG A 79 -4.154 -13.553 -10.450 1.00 15.14 N ATOM 1256 CA ARG A 79 -3.428 -14.817 -10.424 1.00 40.33 C ATOM 1257 C ARG A 79 -2.342 -14.798 -9.352 1.00 72.24 C ATOM 1258 O ARG A 79 -2.206 -15.745 -8.578 1.00 10.22 O ATOM 1259 CB ARG A 79 -2.804 -15.098 -11.792 1.00 71.24 C ATOM 1260 CG ARG A 79 -2.693 -16.579 -12.118 1.00 50.31 C ATOM 1261 CD ARG A 79 -1.432 -17.187 -11.524 1.00 14.24 C ATOM 1262 NE ARG A 79 -1.698 -17.873 -10.262 1.00 51.00 N ATOM 1263 CZ ARG A 79 -2.371 -19.015 -10.174 1.00 64.12 C ATOM 1264 NH1 ARG A 79 -2.843 -19.596 -11.268 1.00 64.34 N ATOM 1265 NH2 ARG A 79 -2.572 -19.579 -8.990 1.00 3.42 N ATOM 0 H ARG A 79 -3.938 -12.959 -11.251 1.00 15.14 H new ATOM 0 HA ARG A 79 -4.137 -15.610 -10.185 1.00 40.33 H new ATOM 0 HB2 ARG A 79 -3.401 -14.609 -12.562 1.00 71.24 H new ATOM 0 HB3 ARG A 79 -1.810 -14.651 -11.827 1.00 71.24 H new ATOM 0 HG2 ARG A 79 -3.567 -17.104 -11.733 1.00 50.31 H new ATOM 0 HG3 ARG A 79 -2.690 -16.715 -13.199 1.00 50.31 H new ATOM 0 HD2 ARG A 79 -0.999 -17.891 -12.235 1.00 14.24 H new ATOM 0 HD3 ARG A 79 -0.693 -16.403 -11.362 1.00 14.24 H new ATOM 0 HE ARG A 79 -1.348 -17.452 -9.401 1.00 51.00 H new ATOM 0 HH11 ARG A 79 -2.690 -19.166 -12.180 1.00 64.34 H new ATOM 0 HH12 ARG A 79 -3.359 -20.473 -11.198 1.00 64.34 H new ATOM 0 HH21 ARG A 79 -2.210 -19.136 -8.146 1.00 3.42 H new ATOM 0 HH22 ARG A 79 -3.089 -20.456 -8.924 1.00 3.42 H new ATOM 1279 N GLN A 80 -1.573 -13.715 -9.315 1.00 63.14 N ATOM 1280 CA GLN A 80 -0.498 -13.575 -8.339 1.00 55.24 C ATOM 1281 C GLN A 80 -0.833 -12.497 -7.313 1.00 44.15 C ATOM 1282 O GLN A 80 -1.898 -11.883 -7.368 1.00 33.42 O ATOM 1283 CB GLN A 80 0.817 -13.236 -9.043 1.00 20.03 C ATOM 1284 CG GLN A 80 0.678 -12.161 -10.109 1.00 32.42 C ATOM 1285 CD GLN A 80 1.996 -11.834 -10.783 1.00 14.11 C ATOM 1286 OE1 GLN A 80 2.350 -10.666 -10.944 1.00 3.21 O ATOM 1287 NE2 GLN A 80 2.730 -12.866 -11.181 1.00 73.23 N ATOM 0 H GLN A 80 -1.674 -12.922 -9.949 1.00 63.14 H new ATOM 0 HA GLN A 80 -0.387 -14.526 -7.817 1.00 55.24 H new ATOM 0 HB2 GLN A 80 1.543 -12.907 -8.300 1.00 20.03 H new ATOM 0 HB3 GLN A 80 1.218 -14.140 -9.501 1.00 20.03 H new ATOM 0 HG2 GLN A 80 -0.038 -12.491 -10.861 1.00 32.42 H new ATOM 0 HG3 GLN A 80 0.271 -11.257 -9.657 1.00 32.42 H new ATOM 0 HE21 GLN A 80 2.397 -13.818 -11.027 1.00 73.23 H new ATOM 0 HE22 GLN A 80 3.627 -12.707 -11.641 1.00 73.23 H new