USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 60 GLN : amide:sc= 0.677 K(o=1.1,f=-0.79) USER MOD Set 1.2: A 64 SER OG : rot 76:sc= 0.387 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.03 (180deg=0.838) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.021) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 28:sc= 0.0425 USER MOD Single : A 13 THR OG1 : rot 42:sc= 0.196 USER MOD Single : A 16 THR OG1 : rot 92:sc= 0.0597 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -122:sc= -2.25 (180deg=-2.65!) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= 0.858 (180deg=-0.817) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 1.72 (180deg=0.863) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.09) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0778) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.574 3.379 -37.765 1.00 74.32 N ATOM 2 CA MET A 1 -22.911 3.805 -37.296 1.00 71.45 C ATOM 3 C MET A 1 -22.884 4.111 -35.807 1.00 74.22 C ATOM 4 O MET A 1 -23.154 5.238 -35.392 1.00 24.14 O ATOM 5 CB MET A 1 -23.958 2.725 -37.586 1.00 15.31 C ATOM 6 CG MET A 1 -24.519 2.769 -38.998 1.00 43.55 C ATOM 7 SD MET A 1 -23.256 2.577 -40.272 1.00 62.31 S ATOM 8 CE MET A 1 -24.265 2.673 -41.750 1.00 42.22 C ATOM 0 H1 MET A 1 -21.652 2.983 -38.723 1.00 74.32 H new ATOM 0 H2 MET A 1 -20.934 4.199 -37.780 1.00 74.32 H new ATOM 0 H3 MET A 1 -21.195 2.656 -37.121 1.00 74.32 H new ATOM 0 HA MET A 1 -23.183 4.711 -37.837 1.00 71.45 H new ATOM 0 HB2 MET A 1 -23.512 1.746 -37.414 1.00 15.31 H new ATOM 0 HB3 MET A 1 -24.779 2.830 -36.877 1.00 15.31 H new ATOM 0 HG2 MET A 1 -25.263 1.980 -39.111 1.00 43.55 H new ATOM 0 HG3 MET A 1 -25.035 3.717 -39.147 1.00 43.55 H new ATOM 0 HE1 MET A 1 -23.631 2.571 -42.631 1.00 42.22 H new ATOM 0 HE2 MET A 1 -25.003 1.871 -41.739 1.00 42.22 H new ATOM 0 HE3 MET A 1 -24.776 3.636 -41.780 1.00 42.22 H new ATOM 20 N GLY A 2 -22.539 3.112 -35.009 1.00 24.12 N ATOM 21 CA GLY A 2 -22.518 3.287 -33.574 1.00 5.54 C ATOM 22 C GLY A 2 -21.111 3.350 -33.023 1.00 12.40 C ATOM 23 O GLY A 2 -20.155 3.589 -33.765 1.00 72.35 O ATOM 0 H GLY A 2 -22.273 2.182 -35.331 1.00 24.12 H new ATOM 0 HA2 GLY A 2 -23.049 4.203 -33.314 1.00 5.54 H new ATOM 0 HA3 GLY A 2 -23.054 2.463 -33.102 1.00 5.54 H new ATOM 27 N HIS A 3 -20.984 3.138 -31.721 1.00 70.03 N ATOM 28 CA HIS A 3 -19.686 3.150 -31.063 1.00 73.22 C ATOM 29 C HIS A 3 -18.888 1.908 -31.417 1.00 51.44 C ATOM 30 O HIS A 3 -19.410 0.793 -31.396 1.00 55.50 O ATOM 31 CB HIS A 3 -19.847 3.239 -29.542 1.00 5.22 C ATOM 32 CG HIS A 3 -20.313 4.571 -29.052 1.00 10.13 C ATOM 33 ND1 HIS A 3 -21.631 4.851 -28.775 1.00 74.34 N ATOM 34 CD2 HIS A 3 -19.622 5.698 -28.770 1.00 5.00 C ATOM 35 CE1 HIS A 3 -21.728 6.094 -28.344 1.00 23.04 C ATOM 36 NE2 HIS A 3 -20.524 6.630 -28.330 1.00 54.13 N ATOM 0 H HIS A 3 -21.769 2.955 -31.096 1.00 70.03 H new ATOM 0 HA HIS A 3 -19.147 4.029 -31.415 1.00 73.22 H new ATOM 0 HB2 HIS A 3 -20.556 2.477 -29.218 1.00 5.22 H new ATOM 0 HB3 HIS A 3 -18.891 3.006 -29.073 1.00 5.22 H new ATOM 0 HD2 HIS A 3 -18.556 5.838 -28.873 1.00 5.00 H new ATOM 0 HE1 HIS A 3 -22.642 6.590 -28.051 1.00 23.04 H new ATOM 0 HE2 HIS A 3 -20.301 7.582 -28.039 1.00 54.13 H new ATOM 45 N HIS A 4 -17.624 2.110 -31.744 1.00 2.13 N ATOM 46 CA HIS A 4 -16.713 1.006 -31.991 1.00 41.01 C ATOM 47 C HIS A 4 -16.093 0.589 -30.667 1.00 4.42 C ATOM 48 O HIS A 4 -15.723 -0.567 -30.465 1.00 43.44 O ATOM 49 CB HIS A 4 -15.624 1.407 -32.993 1.00 3.41 C ATOM 50 CG HIS A 4 -16.157 1.885 -34.312 1.00 43.42 C ATOM 51 ND1 HIS A 4 -16.133 3.206 -34.697 1.00 50.24 N ATOM 52 CD2 HIS A 4 -16.730 1.211 -35.336 1.00 41.43 C ATOM 53 CE1 HIS A 4 -16.667 3.324 -35.897 1.00 52.42 C ATOM 54 NE2 HIS A 4 -17.038 2.129 -36.309 1.00 63.22 N ATOM 0 H HIS A 4 -17.203 3.034 -31.845 1.00 2.13 H new ATOM 0 HA HIS A 4 -17.262 0.170 -32.424 1.00 41.01 H new ATOM 0 HB2 HIS A 4 -15.011 2.194 -32.553 1.00 3.41 H new ATOM 0 HB3 HIS A 4 -14.970 0.552 -33.165 1.00 3.41 H new ATOM 0 HD2 HIS A 4 -16.911 0.147 -35.380 1.00 41.43 H new ATOM 0 HE1 HIS A 4 -16.781 4.245 -36.449 1.00 52.42 H new ATOM 0 HE2 HIS A 4 -17.481 1.920 -37.204 1.00 63.22 H new ATOM 63 N HIS A 5 -15.981 1.558 -29.766 1.00 43.23 N ATOM 64 CA HIS A 5 -15.562 1.301 -28.397 1.00 5.42 C ATOM 65 C HIS A 5 -16.769 1.353 -27.473 1.00 3.33 C ATOM 66 O HIS A 5 -17.294 2.434 -27.193 1.00 33.23 O ATOM 67 CB HIS A 5 -14.523 2.330 -27.933 1.00 31.41 C ATOM 68 CG HIS A 5 -13.180 2.191 -28.578 1.00 12.21 C ATOM 69 ND1 HIS A 5 -12.283 1.208 -28.232 1.00 61.43 N ATOM 70 CD2 HIS A 5 -12.577 2.928 -29.539 1.00 4.25 C ATOM 71 CE1 HIS A 5 -11.184 1.345 -28.949 1.00 74.42 C ATOM 72 NE2 HIS A 5 -11.337 2.382 -29.750 1.00 43.33 N ATOM 0 H HIS A 5 -16.178 2.539 -29.964 1.00 43.23 H new ATOM 0 HA HIS A 5 -15.108 0.311 -28.362 1.00 5.42 H new ATOM 0 HB2 HIS A 5 -14.906 3.330 -28.134 1.00 31.41 H new ATOM 0 HB3 HIS A 5 -14.404 2.245 -26.853 1.00 31.41 H new ATOM 0 HD2 HIS A 5 -12.994 3.786 -30.045 1.00 4.25 H new ATOM 0 HE1 HIS A 5 -10.308 0.716 -28.890 1.00 74.42 H new ATOM 0 HE2 HIS A 5 -10.645 2.722 -30.418 1.00 43.33 H new ATOM 81 N HIS A 6 -17.220 0.193 -27.020 1.00 74.41 N ATOM 82 CA HIS A 6 -18.379 0.126 -26.140 1.00 64.22 C ATOM 83 C HIS A 6 -17.987 0.593 -24.739 1.00 62.24 C ATOM 84 O HIS A 6 -18.747 1.289 -24.068 1.00 54.11 O ATOM 85 CB HIS A 6 -18.943 -1.297 -26.101 1.00 35.45 C ATOM 86 CG HIS A 6 -20.352 -1.376 -25.588 1.00 75.40 C ATOM 87 ND1 HIS A 6 -21.434 -1.584 -26.409 1.00 4.43 N ATOM 88 CD2 HIS A 6 -20.851 -1.285 -24.332 1.00 64.23 C ATOM 89 CE1 HIS A 6 -22.537 -1.616 -25.686 1.00 11.42 C ATOM 90 NE2 HIS A 6 -22.212 -1.438 -24.420 1.00 15.13 N ATOM 0 H HIS A 6 -16.804 -0.711 -27.245 1.00 74.41 H new ATOM 0 HA HIS A 6 -19.158 0.784 -26.525 1.00 64.22 H new ATOM 0 HB2 HIS A 6 -18.907 -1.720 -27.105 1.00 35.45 H new ATOM 0 HB3 HIS A 6 -18.302 -1.915 -25.472 1.00 35.45 H new ATOM 0 HD2 HIS A 6 -20.283 -1.122 -23.428 1.00 64.23 H new ATOM 0 HE1 HIS A 6 -23.537 -1.763 -26.066 1.00 11.42 H new ATOM 0 HE2 HIS A 6 -22.864 -1.417 -23.636 1.00 15.13 H new ATOM 99 N HIS A 7 -16.802 0.195 -24.304 1.00 1.05 N ATOM 100 CA HIS A 7 -16.226 0.705 -23.066 1.00 45.44 C ATOM 101 C HIS A 7 -15.042 1.590 -23.400 1.00 35.31 C ATOM 102 O HIS A 7 -14.264 1.274 -24.301 1.00 20.33 O ATOM 103 CB HIS A 7 -15.779 -0.430 -22.141 1.00 74.04 C ATOM 104 CG HIS A 7 -16.907 -1.156 -21.477 1.00 24.31 C ATOM 105 ND1 HIS A 7 -17.318 -0.892 -20.189 1.00 62.30 N ATOM 106 CD2 HIS A 7 -17.713 -2.141 -21.930 1.00 73.22 C ATOM 107 CE1 HIS A 7 -18.324 -1.687 -19.879 1.00 42.21 C ATOM 108 NE2 HIS A 7 -18.585 -2.452 -20.920 1.00 53.33 N ATOM 0 H HIS A 7 -16.216 -0.483 -24.791 1.00 1.05 H new ATOM 0 HA HIS A 7 -16.991 1.277 -22.541 1.00 45.44 H new ATOM 0 HB2 HIS A 7 -15.191 -1.144 -22.717 1.00 74.04 H new ATOM 0 HB3 HIS A 7 -15.122 -0.021 -21.373 1.00 74.04 H new ATOM 0 HD2 HIS A 7 -17.677 -2.599 -22.908 1.00 73.22 H new ATOM 0 HE1 HIS A 7 -18.845 -1.708 -18.933 1.00 42.21 H new ATOM 0 HE2 HIS A 7 -19.317 -3.161 -20.966 1.00 53.33 H new ATOM 117 N HIS A 8 -14.913 2.703 -22.702 1.00 54.24 N ATOM 118 CA HIS A 8 -13.820 3.623 -22.961 1.00 62.22 C ATOM 119 C HIS A 8 -12.811 3.583 -21.823 1.00 65.33 C ATOM 120 O HIS A 8 -12.873 4.397 -20.903 1.00 2.35 O ATOM 121 CB HIS A 8 -14.350 5.046 -23.147 1.00 2.45 C ATOM 122 CG HIS A 8 -13.535 5.862 -24.097 1.00 11.13 C ATOM 123 ND1 HIS A 8 -13.946 6.133 -25.380 1.00 15.10 N ATOM 124 CD2 HIS A 8 -12.330 6.461 -23.952 1.00 35.25 C ATOM 125 CE1 HIS A 8 -13.030 6.863 -25.988 1.00 33.22 C ATOM 126 NE2 HIS A 8 -12.037 7.077 -25.144 1.00 22.03 N ATOM 0 H HIS A 8 -15.546 2.991 -21.956 1.00 54.24 H new ATOM 0 HA HIS A 8 -13.322 3.314 -23.880 1.00 62.22 H new ATOM 0 HB2 HIS A 8 -15.377 4.999 -23.508 1.00 2.45 H new ATOM 0 HB3 HIS A 8 -14.375 5.546 -22.179 1.00 2.45 H new ATOM 0 HD2 HIS A 8 -11.714 6.456 -23.065 1.00 35.25 H new ATOM 0 HE1 HIS A 8 -13.083 7.224 -27.004 1.00 33.22 H new ATOM 0 HE2 HIS A 8 -11.192 7.612 -25.344 1.00 22.03 H new ATOM 135 N SER A 9 -11.901 2.624 -21.882 1.00 31.30 N ATOM 136 CA SER A 9 -10.884 2.470 -20.854 1.00 53.14 C ATOM 137 C SER A 9 -9.769 1.563 -21.359 1.00 41.45 C ATOM 138 O SER A 9 -9.982 0.372 -21.601 1.00 23.21 O ATOM 139 CB SER A 9 -11.499 1.892 -19.576 1.00 42.42 C ATOM 140 OG SER A 9 -10.586 1.930 -18.491 1.00 54.01 O ATOM 0 H SER A 9 -11.846 1.938 -22.635 1.00 31.30 H new ATOM 0 HA SER A 9 -10.467 3.450 -20.623 1.00 53.14 H new ATOM 0 HB2 SER A 9 -12.396 2.455 -19.317 1.00 42.42 H new ATOM 0 HB3 SER A 9 -11.809 0.862 -19.755 1.00 42.42 H new ATOM 0 HG SER A 9 -11.012 1.555 -17.692 1.00 54.01 H new ATOM 146 N HIS A 10 -8.587 2.130 -21.531 1.00 71.21 N ATOM 147 CA HIS A 10 -7.448 1.356 -21.998 1.00 51.12 C ATOM 148 C HIS A 10 -6.492 1.080 -20.845 1.00 33.11 C ATOM 149 O HIS A 10 -6.165 1.980 -20.065 1.00 23.32 O ATOM 150 CB HIS A 10 -6.724 2.071 -23.154 1.00 41.14 C ATOM 151 CG HIS A 10 -5.970 3.314 -22.770 1.00 63.31 C ATOM 152 ND1 HIS A 10 -6.517 4.576 -22.814 1.00 51.00 N ATOM 153 CD2 HIS A 10 -4.695 3.478 -22.344 1.00 53.30 C ATOM 154 CE1 HIS A 10 -5.614 5.460 -22.429 1.00 43.31 C ATOM 155 NE2 HIS A 10 -4.498 4.819 -22.138 1.00 74.12 N ATOM 0 H HIS A 10 -8.391 3.116 -21.356 1.00 71.21 H new ATOM 0 HA HIS A 10 -7.815 0.404 -22.381 1.00 51.12 H new ATOM 0 HB2 HIS A 10 -6.026 1.370 -23.613 1.00 41.14 H new ATOM 0 HB3 HIS A 10 -7.459 2.333 -23.915 1.00 41.14 H new ATOM 0 HD2 HIS A 10 -3.966 2.695 -22.194 1.00 53.30 H new ATOM 0 HE1 HIS A 10 -5.764 6.528 -22.363 1.00 43.31 H new ATOM 0 HE2 HIS A 10 -3.632 5.250 -21.814 1.00 74.12 H new ATOM 164 N MET A 11 -6.061 -0.165 -20.732 1.00 70.05 N ATOM 165 CA MET A 11 -5.124 -0.557 -19.693 1.00 32.34 C ATOM 166 C MET A 11 -3.852 -1.108 -20.316 1.00 65.31 C ATOM 167 O MET A 11 -3.903 -1.983 -21.182 1.00 4.41 O ATOM 168 CB MET A 11 -5.755 -1.598 -18.764 1.00 61.24 C ATOM 169 CG MET A 11 -4.829 -2.075 -17.657 1.00 1.54 C ATOM 170 SD MET A 11 -4.193 -0.720 -16.650 1.00 0.14 S ATOM 171 CE MET A 11 -3.219 -1.621 -15.445 1.00 20.32 C ATOM 0 H MET A 11 -6.347 -0.925 -21.350 1.00 70.05 H new ATOM 0 HA MET A 11 -4.873 0.324 -19.102 1.00 32.34 H new ATOM 0 HB2 MET A 11 -6.653 -1.174 -18.316 1.00 61.24 H new ATOM 0 HB3 MET A 11 -6.070 -2.457 -19.357 1.00 61.24 H new ATOM 0 HG2 MET A 11 -5.365 -2.777 -17.018 1.00 1.54 H new ATOM 0 HG3 MET A 11 -3.993 -2.619 -18.097 1.00 1.54 H new ATOM 0 HE1 MET A 11 -2.760 -0.918 -14.749 1.00 20.32 H new ATOM 0 HE2 MET A 11 -3.864 -2.307 -14.895 1.00 20.32 H new ATOM 0 HE3 MET A 11 -2.440 -2.187 -15.956 1.00 20.32 H new ATOM 181 N SER A 12 -2.718 -0.582 -19.878 1.00 11.32 N ATOM 182 CA SER A 12 -1.425 -0.998 -20.395 1.00 11.43 C ATOM 183 C SER A 12 -1.131 -2.440 -20.001 1.00 32.35 C ATOM 184 O SER A 12 -1.334 -2.825 -18.845 1.00 40.30 O ATOM 185 CB SER A 12 -0.335 -0.070 -19.859 1.00 32.13 C ATOM 186 OG SER A 12 -0.415 0.026 -18.444 1.00 30.12 O ATOM 0 H SER A 12 -2.669 0.140 -19.159 1.00 11.32 H new ATOM 0 HA SER A 12 -1.443 -0.938 -21.483 1.00 11.43 H new ATOM 0 HB2 SER A 12 0.646 -0.446 -20.149 1.00 32.13 H new ATOM 0 HB3 SER A 12 -0.441 0.920 -20.303 1.00 32.13 H new ATOM 0 HG SER A 12 -0.805 -0.797 -18.082 1.00 30.12 H new ATOM 192 N THR A 13 -0.667 -3.227 -20.963 1.00 62.51 N ATOM 193 CA THR A 13 -0.332 -4.625 -20.729 1.00 12.24 C ATOM 194 C THR A 13 0.805 -4.755 -19.713 1.00 3.24 C ATOM 195 O THR A 13 1.923 -4.302 -19.960 1.00 2.35 O ATOM 196 CB THR A 13 0.065 -5.317 -22.048 1.00 74.31 C ATOM 197 OG1 THR A 13 1.037 -4.522 -22.743 1.00 22.21 O ATOM 198 CG2 THR A 13 -1.151 -5.530 -22.938 1.00 21.13 C ATOM 0 H THR A 13 -0.513 -2.916 -21.922 1.00 62.51 H new ATOM 0 HA THR A 13 -1.218 -5.115 -20.324 1.00 12.24 H new ATOM 0 HB THR A 13 0.493 -6.290 -21.807 1.00 74.31 H new ATOM 0 HG1 THR A 13 1.690 -4.170 -22.103 1.00 22.21 H new ATOM 0 HG21 THR A 13 -0.844 -6.020 -23.862 1.00 21.13 H new ATOM 0 HG22 THR A 13 -1.877 -6.156 -22.419 1.00 21.13 H new ATOM 0 HG23 THR A 13 -1.604 -4.567 -23.171 1.00 21.13 H new ATOM 206 N PRO A 14 0.521 -5.363 -18.551 1.00 73.32 N ATOM 207 CA PRO A 14 1.488 -5.500 -17.469 1.00 70.12 C ATOM 208 C PRO A 14 2.358 -6.749 -17.600 1.00 54.44 C ATOM 209 O PRO A 14 2.083 -7.636 -18.411 1.00 43.21 O ATOM 210 CB PRO A 14 0.585 -5.604 -16.244 1.00 12.20 C ATOM 211 CG PRO A 14 -0.622 -6.332 -16.735 1.00 34.44 C ATOM 212 CD PRO A 14 -0.782 -5.962 -18.193 1.00 24.52 C ATOM 0 HA PRO A 14 2.202 -4.676 -17.443 1.00 70.12 H new ATOM 0 HB2 PRO A 14 1.074 -6.146 -15.434 1.00 12.20 H new ATOM 0 HB3 PRO A 14 0.325 -4.619 -15.857 1.00 12.20 H new ATOM 0 HG2 PRO A 14 -0.500 -7.409 -16.619 1.00 34.44 H new ATOM 0 HG3 PRO A 14 -1.506 -6.048 -16.163 1.00 34.44 H new ATOM 0 HD2 PRO A 14 -1.002 -6.836 -18.806 1.00 24.52 H new ATOM 0 HD3 PRO A 14 -1.600 -5.257 -18.339 1.00 24.52 H new ATOM 220 N LEU A 15 3.409 -6.805 -16.795 1.00 70.54 N ATOM 221 CA LEU A 15 4.299 -7.956 -16.765 1.00 70.34 C ATOM 222 C LEU A 15 3.682 -9.039 -15.875 1.00 12.32 C ATOM 223 O LEU A 15 3.084 -8.728 -14.843 1.00 54.11 O ATOM 224 CB LEU A 15 5.681 -7.517 -16.242 1.00 32.41 C ATOM 225 CG LEU A 15 6.883 -8.394 -16.637 1.00 3.54 C ATOM 226 CD1 LEU A 15 6.921 -9.681 -15.832 1.00 4.35 C ATOM 227 CD2 LEU A 15 6.851 -8.701 -18.124 1.00 20.10 C ATOM 0 H LEU A 15 3.668 -6.060 -16.149 1.00 70.54 H new ATOM 0 HA LEU A 15 4.430 -8.366 -17.766 1.00 70.34 H new ATOM 0 HB2 LEU A 15 5.871 -6.503 -16.593 1.00 32.41 H new ATOM 0 HB3 LEU A 15 5.635 -7.474 -15.154 1.00 32.41 H new ATOM 0 HG LEU A 15 7.790 -7.833 -16.412 1.00 3.54 H new ATOM 0 HD11 LEU A 15 7.782 -10.276 -16.137 1.00 4.35 H new ATOM 0 HD12 LEU A 15 7.001 -9.444 -14.771 1.00 4.35 H new ATOM 0 HD13 LEU A 15 6.007 -10.248 -16.009 1.00 4.35 H new ATOM 0 HD21 LEU A 15 7.708 -9.322 -18.386 1.00 20.10 H new ATOM 0 HD22 LEU A 15 5.931 -9.232 -18.366 1.00 20.10 H new ATOM 0 HD23 LEU A 15 6.892 -7.770 -18.689 1.00 20.10 H new ATOM 239 N THR A 16 3.818 -10.300 -16.277 1.00 21.22 N ATOM 240 CA THR A 16 3.217 -11.423 -15.557 1.00 51.04 C ATOM 241 C THR A 16 3.983 -11.752 -14.266 1.00 2.55 C ATOM 242 O THR A 16 4.090 -12.915 -13.865 1.00 71.01 O ATOM 243 CB THR A 16 3.196 -12.668 -16.461 1.00 4.42 C ATOM 244 OG1 THR A 16 3.222 -12.264 -17.840 1.00 73.22 O ATOM 245 CG2 THR A 16 1.955 -13.504 -16.198 1.00 34.51 C ATOM 0 H THR A 16 4.345 -10.573 -17.107 1.00 21.22 H new ATOM 0 HA THR A 16 2.202 -11.133 -15.286 1.00 51.04 H new ATOM 0 HB THR A 16 4.075 -13.273 -16.238 1.00 4.42 H new ATOM 0 HG1 THR A 16 4.150 -12.225 -18.152 1.00 73.22 H new ATOM 0 HG21 THR A 16 1.961 -14.379 -16.848 1.00 34.51 H new ATOM 0 HG22 THR A 16 1.947 -13.826 -15.157 1.00 34.51 H new ATOM 0 HG23 THR A 16 1.065 -12.908 -16.400 1.00 34.51 H new ATOM 253 N GLY A 17 4.496 -10.723 -13.612 1.00 63.41 N ATOM 254 CA GLY A 17 5.260 -10.910 -12.399 1.00 30.14 C ATOM 255 C GLY A 17 5.014 -9.794 -11.412 1.00 74.13 C ATOM 256 O GLY A 17 5.806 -8.855 -11.314 1.00 33.10 O ATOM 0 H GLY A 17 4.395 -9.751 -13.904 1.00 63.41 H new ATOM 0 HA2 GLY A 17 4.995 -11.864 -11.944 1.00 30.14 H new ATOM 0 HA3 GLY A 17 6.322 -10.956 -12.640 1.00 30.14 H new ATOM 260 N LYS A 18 3.906 -9.889 -10.694 1.00 10.44 N ATOM 261 CA LYS A 18 3.537 -8.877 -9.721 1.00 70.14 C ATOM 262 C LYS A 18 4.109 -9.231 -8.355 1.00 62.43 C ATOM 263 O LYS A 18 3.790 -10.281 -7.797 1.00 42.04 O ATOM 264 CB LYS A 18 2.013 -8.750 -9.637 1.00 14.03 C ATOM 265 CG LYS A 18 1.360 -8.290 -10.933 1.00 65.41 C ATOM 266 CD LYS A 18 -0.152 -8.208 -10.795 1.00 23.51 C ATOM 267 CE LYS A 18 -0.766 -9.581 -10.563 1.00 73.41 C ATOM 268 NZ LYS A 18 -2.221 -9.497 -10.276 1.00 11.32 N ATOM 0 H LYS A 18 3.244 -10.662 -10.769 1.00 10.44 H new ATOM 0 HA LYS A 18 3.950 -7.920 -10.039 1.00 70.14 H new ATOM 0 HB2 LYS A 18 1.593 -9.715 -9.352 1.00 14.03 H new ATOM 0 HB3 LYS A 18 1.760 -8.046 -8.844 1.00 14.03 H new ATOM 0 HG2 LYS A 18 1.754 -7.314 -11.214 1.00 65.41 H new ATOM 0 HG3 LYS A 18 1.616 -8.981 -11.736 1.00 65.41 H new ATOM 0 HD2 LYS A 18 -0.407 -7.549 -9.965 1.00 23.51 H new ATOM 0 HD3 LYS A 18 -0.577 -7.766 -11.696 1.00 23.51 H new ATOM 0 HE2 LYS A 18 -0.605 -10.204 -11.443 1.00 73.41 H new ATOM 0 HE3 LYS A 18 -0.259 -10.069 -9.730 1.00 73.41 H new ATOM 0 HZ1 LYS A 18 -2.601 -10.453 -10.124 1.00 11.32 H new ATOM 0 HZ2 LYS A 18 -2.374 -8.924 -9.422 1.00 11.32 H new ATOM 0 HZ3 LYS A 18 -2.709 -9.055 -11.081 1.00 11.32 H new ATOM 282 N PRO A 19 4.966 -8.361 -7.804 1.00 3.34 N ATOM 283 CA PRO A 19 5.629 -8.597 -6.519 1.00 14.41 C ATOM 284 C PRO A 19 4.646 -8.790 -5.366 1.00 10.21 C ATOM 285 O PRO A 19 3.962 -7.852 -4.953 1.00 3.42 O ATOM 286 CB PRO A 19 6.463 -7.329 -6.296 1.00 15.22 C ATOM 287 CG PRO A 19 5.894 -6.310 -7.221 1.00 51.24 C ATOM 288 CD PRO A 19 5.357 -7.073 -8.396 1.00 55.24 C ATOM 0 HA PRO A 19 6.217 -9.514 -6.544 1.00 14.41 H new ATOM 0 HB2 PRO A 19 6.402 -6.996 -5.260 1.00 15.22 H new ATOM 0 HB3 PRO A 19 7.516 -7.509 -6.511 1.00 15.22 H new ATOM 0 HG2 PRO A 19 5.105 -5.738 -6.733 1.00 51.24 H new ATOM 0 HG3 PRO A 19 6.657 -5.598 -7.534 1.00 51.24 H new ATOM 0 HD2 PRO A 19 4.508 -6.565 -8.853 1.00 55.24 H new ATOM 0 HD3 PRO A 19 6.110 -7.199 -9.174 1.00 55.24 H new ATOM 296 N GLY A 20 4.580 -10.010 -4.850 1.00 54.23 N ATOM 297 CA GLY A 20 3.741 -10.293 -3.703 1.00 75.32 C ATOM 298 C GLY A 20 4.481 -10.073 -2.398 1.00 34.34 C ATOM 299 O GLY A 20 4.160 -10.681 -1.378 1.00 3.11 O ATOM 0 H GLY A 20 5.096 -10.813 -5.208 1.00 54.23 H new ATOM 0 HA2 GLY A 20 2.858 -9.655 -3.732 1.00 75.32 H new ATOM 0 HA3 GLY A 20 3.391 -11.324 -3.754 1.00 75.32 H new ATOM 303 N ALA A 21 5.481 -9.209 -2.442 1.00 22.02 N ATOM 304 CA ALA A 21 6.252 -8.854 -1.267 1.00 0.44 C ATOM 305 C ALA A 21 6.280 -7.339 -1.118 1.00 53.24 C ATOM 306 O ALA A 21 6.123 -6.615 -2.104 1.00 73.34 O ATOM 307 CB ALA A 21 7.664 -9.412 -1.372 1.00 71.11 C ATOM 0 H ALA A 21 5.780 -8.735 -3.294 1.00 22.02 H new ATOM 0 HA ALA A 21 5.784 -9.287 -0.383 1.00 0.44 H new ATOM 0 HB1 ALA A 21 8.231 -9.137 -0.482 1.00 71.11 H new ATOM 0 HB2 ALA A 21 7.621 -10.498 -1.454 1.00 71.11 H new ATOM 0 HB3 ALA A 21 8.153 -9.001 -2.255 1.00 71.11 H new ATOM 313 N LEU A 22 6.468 -6.866 0.103 1.00 4.31 N ATOM 314 CA LEU A 22 6.443 -5.437 0.381 1.00 32.25 C ATOM 315 C LEU A 22 7.743 -4.989 1.033 1.00 73.31 C ATOM 316 O LEU A 22 8.392 -5.764 1.734 1.00 23.35 O ATOM 317 CB LEU A 22 5.275 -5.098 1.311 1.00 74.13 C ATOM 318 CG LEU A 22 3.887 -5.467 0.794 1.00 2.31 C ATOM 319 CD1 LEU A 22 2.840 -5.157 1.846 1.00 72.52 C ATOM 320 CD2 LEU A 22 3.577 -4.727 -0.497 1.00 5.02 C ATOM 0 H LEU A 22 6.640 -7.451 0.920 1.00 4.31 H new ATOM 0 HA LEU A 22 6.321 -4.914 -0.568 1.00 32.25 H new ATOM 0 HB2 LEU A 22 5.434 -5.604 2.263 1.00 74.13 H new ATOM 0 HB3 LEU A 22 5.294 -4.027 1.513 1.00 74.13 H new ATOM 0 HG LEU A 22 3.870 -6.536 0.584 1.00 2.31 H new ATOM 0 HD11 LEU A 22 1.853 -5.424 1.467 1.00 72.52 H new ATOM 0 HD12 LEU A 22 3.050 -5.731 2.748 1.00 72.52 H new ATOM 0 HD13 LEU A 22 2.863 -4.093 2.080 1.00 72.52 H new ATOM 0 HD21 LEU A 22 2.583 -5.006 -0.847 1.00 5.02 H new ATOM 0 HD22 LEU A 22 3.610 -3.652 -0.317 1.00 5.02 H new ATOM 0 HD23 LEU A 22 4.315 -4.991 -1.254 1.00 5.02 H new ATOM 332 N PRO A 23 8.148 -3.735 0.799 1.00 55.52 N ATOM 333 CA PRO A 23 9.283 -3.133 1.493 1.00 60.11 C ATOM 334 C PRO A 23 8.920 -2.770 2.932 1.00 63.40 C ATOM 335 O PRO A 23 7.777 -2.424 3.220 1.00 62.44 O ATOM 336 CB PRO A 23 9.573 -1.874 0.674 1.00 64.44 C ATOM 337 CG PRO A 23 8.270 -1.515 0.050 1.00 62.32 C ATOM 338 CD PRO A 23 7.535 -2.809 -0.173 1.00 52.51 C ATOM 0 HA PRO A 23 10.138 -3.805 1.564 1.00 60.11 H new ATOM 0 HB2 PRO A 23 9.944 -1.068 1.307 1.00 64.44 H new ATOM 0 HB3 PRO A 23 10.335 -2.061 -0.082 1.00 64.44 H new ATOM 0 HG2 PRO A 23 7.699 -0.851 0.698 1.00 62.32 H new ATOM 0 HG3 PRO A 23 8.423 -0.988 -0.892 1.00 62.32 H new ATOM 0 HD2 PRO A 23 6.465 -2.696 0.002 1.00 52.51 H new ATOM 0 HD3 PRO A 23 7.655 -3.166 -1.196 1.00 52.51 H new ATOM 346 N ALA A 24 9.887 -2.851 3.833 1.00 5.14 N ATOM 347 CA ALA A 24 9.648 -2.530 5.236 1.00 12.41 C ATOM 348 C ALA A 24 9.593 -1.020 5.453 1.00 3.13 C ATOM 349 O ALA A 24 9.273 -0.545 6.543 1.00 15.03 O ATOM 350 CB ALA A 24 10.723 -3.153 6.112 1.00 52.11 C ATOM 0 H ALA A 24 10.843 -3.135 3.621 1.00 5.14 H new ATOM 0 HA ALA A 24 8.681 -2.946 5.518 1.00 12.41 H new ATOM 0 HB1 ALA A 24 10.531 -2.905 7.156 1.00 52.11 H new ATOM 0 HB2 ALA A 24 10.711 -4.236 5.989 1.00 52.11 H new ATOM 0 HB3 ALA A 24 11.699 -2.766 5.821 1.00 52.11 H new ATOM 356 N ASN A 25 9.891 -0.270 4.403 1.00 62.23 N ATOM 357 CA ASN A 25 9.943 1.186 4.480 1.00 11.10 C ATOM 358 C ASN A 25 8.631 1.795 3.999 1.00 71.50 C ATOM 359 O ASN A 25 8.621 2.883 3.426 1.00 23.21 O ATOM 360 CB ASN A 25 11.103 1.719 3.633 1.00 55.32 C ATOM 361 CG ASN A 25 12.436 1.108 4.015 1.00 71.32 C ATOM 362 OD1 ASN A 25 12.838 0.080 3.466 1.00 42.53 O ATOM 363 ND2 ASN A 25 13.132 1.726 4.956 1.00 14.34 N ATOM 0 H ASN A 25 10.102 -0.648 3.479 1.00 62.23 H new ATOM 0 HA ASN A 25 10.100 1.469 5.521 1.00 11.10 H new ATOM 0 HB2 ASN A 25 10.903 1.515 2.581 1.00 55.32 H new ATOM 0 HB3 ASN A 25 11.160 2.802 3.743 1.00 55.32 H new ATOM 0 HD21 ASN A 25 14.035 1.353 5.250 1.00 14.34 H new ATOM 0 HD22 ASN A 25 12.766 2.575 5.387 1.00 14.34 H new ATOM 370 N LEU A 26 7.529 1.097 4.261 1.00 31.03 N ATOM 371 CA LEU A 26 6.205 1.532 3.815 1.00 22.54 C ATOM 372 C LEU A 26 5.841 2.917 4.347 1.00 15.52 C ATOM 373 O LEU A 26 5.141 3.678 3.679 1.00 33.14 O ATOM 374 CB LEU A 26 5.136 0.523 4.245 1.00 73.25 C ATOM 375 CG LEU A 26 5.219 -0.843 3.564 1.00 51.42 C ATOM 376 CD1 LEU A 26 4.205 -1.798 4.168 1.00 21.32 C ATOM 377 CD2 LEU A 26 4.993 -0.709 2.064 1.00 52.34 C ATOM 0 H LEU A 26 7.526 0.221 4.784 1.00 31.03 H new ATOM 0 HA LEU A 26 6.242 1.590 2.727 1.00 22.54 H new ATOM 0 HB2 LEU A 26 5.208 0.379 5.323 1.00 73.25 H new ATOM 0 HB3 LEU A 26 4.154 0.951 4.046 1.00 73.25 H new ATOM 0 HG LEU A 26 6.218 -1.248 3.727 1.00 51.42 H new ATOM 0 HD11 LEU A 26 4.277 -2.766 3.672 1.00 21.32 H new ATOM 0 HD12 LEU A 26 4.408 -1.919 5.232 1.00 21.32 H new ATOM 0 HD13 LEU A 26 3.201 -1.395 4.034 1.00 21.32 H new ATOM 0 HD21 LEU A 26 5.056 -1.692 1.597 1.00 52.34 H new ATOM 0 HD22 LEU A 26 4.006 -0.283 1.881 1.00 52.34 H new ATOM 0 HD23 LEU A 26 5.755 -0.056 1.638 1.00 52.34 H new ATOM 389 N ASP A 27 6.316 3.248 5.543 1.00 21.24 N ATOM 390 CA ASP A 27 6.001 4.540 6.140 1.00 44.42 C ATOM 391 C ASP A 27 6.924 5.625 5.597 1.00 62.32 C ATOM 392 O ASP A 27 6.562 6.799 5.559 1.00 21.14 O ATOM 393 CB ASP A 27 6.093 4.486 7.663 1.00 53.13 C ATOM 394 CG ASP A 27 5.620 5.777 8.303 1.00 45.24 C ATOM 395 OD1 ASP A 27 4.411 6.086 8.207 1.00 71.42 O ATOM 396 OD2 ASP A 27 6.453 6.493 8.894 1.00 64.11 O ATOM 0 H ASP A 27 6.913 2.648 6.112 1.00 21.24 H new ATOM 0 HA ASP A 27 4.974 4.785 5.870 1.00 44.42 H new ATOM 0 HB2 ASP A 27 5.493 3.655 8.034 1.00 53.13 H new ATOM 0 HB3 ASP A 27 7.124 4.291 7.958 1.00 53.13 H new ATOM 401 N ASP A 28 8.118 5.226 5.173 1.00 50.33 N ATOM 402 CA ASP A 28 9.043 6.152 4.522 1.00 15.23 C ATOM 403 C ASP A 28 8.524 6.503 3.136 1.00 75.55 C ATOM 404 O ASP A 28 8.738 7.610 2.629 1.00 24.44 O ATOM 405 CB ASP A 28 10.442 5.537 4.416 1.00 44.13 C ATOM 406 CG ASP A 28 11.387 6.374 3.573 1.00 43.31 C ATOM 407 OD1 ASP A 28 11.893 7.398 4.074 1.00 20.44 O ATOM 408 OD2 ASP A 28 11.633 6.007 2.401 1.00 74.54 O ATOM 0 H ASP A 28 8.469 4.273 5.267 1.00 50.33 H new ATOM 0 HA ASP A 28 9.111 7.058 5.125 1.00 15.23 H new ATOM 0 HB2 ASP A 28 10.860 5.420 5.416 1.00 44.13 H new ATOM 0 HB3 ASP A 28 10.364 4.539 3.985 1.00 44.13 H new ATOM 413 N MET A 29 7.831 5.547 2.537 1.00 45.12 N ATOM 414 CA MET A 29 7.204 5.741 1.243 1.00 3.34 C ATOM 415 C MET A 29 6.114 6.796 1.341 1.00 25.25 C ATOM 416 O MET A 29 5.430 6.907 2.359 1.00 71.12 O ATOM 417 CB MET A 29 6.615 4.422 0.737 1.00 73.42 C ATOM 418 CG MET A 29 7.660 3.352 0.469 1.00 32.21 C ATOM 419 SD MET A 29 6.939 1.753 0.065 1.00 41.01 S ATOM 420 CE MET A 29 6.003 2.159 -1.405 1.00 65.10 C ATOM 0 H MET A 29 7.689 4.618 2.934 1.00 45.12 H new ATOM 0 HA MET A 29 7.961 6.082 0.536 1.00 3.34 H new ATOM 0 HB2 MET A 29 5.903 4.046 1.472 1.00 73.42 H new ATOM 0 HB3 MET A 29 6.057 4.611 -0.180 1.00 73.42 H new ATOM 0 HG2 MET A 29 8.300 3.674 -0.352 1.00 32.21 H new ATOM 0 HG3 MET A 29 8.297 3.246 1.347 1.00 32.21 H new ATOM 0 HE1 MET A 29 4.953 1.912 -1.247 1.00 65.10 H new ATOM 0 HE2 MET A 29 6.098 3.224 -1.614 1.00 65.10 H new ATOM 0 HE3 MET A 29 6.387 1.588 -2.250 1.00 65.10 H new ATOM 430 N LYS A 30 5.960 7.573 0.286 1.00 64.45 N ATOM 431 CA LYS A 30 4.976 8.646 0.274 1.00 54.33 C ATOM 432 C LYS A 30 3.621 8.103 -0.135 1.00 24.11 C ATOM 433 O LYS A 30 3.489 6.924 -0.459 1.00 72.13 O ATOM 434 CB LYS A 30 5.382 9.747 -0.702 1.00 73.43 C ATOM 435 CG LYS A 30 6.832 10.166 -0.593 1.00 53.10 C ATOM 436 CD LYS A 30 7.194 11.132 -1.703 1.00 20.31 C ATOM 437 CE LYS A 30 8.694 11.263 -1.866 1.00 40.41 C ATOM 438 NZ LYS A 30 9.333 9.962 -2.200 1.00 50.35 N ATOM 0 H LYS A 30 6.501 7.484 -0.574 1.00 64.45 H new ATOM 0 HA LYS A 30 4.922 9.063 1.280 1.00 54.33 H new ATOM 0 HB2 LYS A 30 5.189 9.405 -1.719 1.00 73.43 H new ATOM 0 HB3 LYS A 30 4.750 10.619 -0.533 1.00 73.43 H new ATOM 0 HG2 LYS A 30 7.009 10.634 0.375 1.00 53.10 H new ATOM 0 HG3 LYS A 30 7.475 9.287 -0.645 1.00 53.10 H new ATOM 0 HD2 LYS A 30 6.755 10.790 -2.640 1.00 20.31 H new ATOM 0 HD3 LYS A 30 6.765 12.111 -1.488 1.00 20.31 H new ATOM 0 HE2 LYS A 30 8.912 11.986 -2.652 1.00 40.41 H new ATOM 0 HE3 LYS A 30 9.126 11.653 -0.945 1.00 40.41 H new ATOM 0 HZ1 LYS A 30 9.881 9.625 -1.383 1.00 50.35 H new ATOM 0 HZ2 LYS A 30 8.598 9.265 -2.436 1.00 50.35 H new ATOM 0 HZ3 LYS A 30 9.967 10.086 -3.015 1.00 50.35 H new ATOM 452 N VAL A 31 2.626 8.974 -0.157 1.00 51.43 N ATOM 453 CA VAL A 31 1.279 8.581 -0.548 1.00 44.53 C ATOM 454 C VAL A 31 1.257 8.136 -2.012 1.00 74.40 C ATOM 455 O VAL A 31 0.470 7.272 -2.402 1.00 65.40 O ATOM 456 CB VAL A 31 0.277 9.739 -0.326 1.00 44.41 C ATOM 457 CG1 VAL A 31 -1.132 9.333 -0.733 1.00 75.24 C ATOM 458 CG2 VAL A 31 0.300 10.185 1.128 1.00 65.23 C ATOM 0 H VAL A 31 2.724 9.959 0.091 1.00 51.43 H new ATOM 0 HA VAL A 31 0.976 7.743 0.080 1.00 44.53 H new ATOM 0 HB VAL A 31 0.582 10.574 -0.957 1.00 44.41 H new ATOM 0 HG11 VAL A 31 -1.814 10.167 -0.566 1.00 75.24 H new ATOM 0 HG12 VAL A 31 -1.142 9.062 -1.789 1.00 75.24 H new ATOM 0 HG13 VAL A 31 -1.451 8.478 -0.136 1.00 75.24 H new ATOM 0 HG21 VAL A 31 -0.410 11.000 1.270 1.00 65.23 H new ATOM 0 HG22 VAL A 31 0.024 9.348 1.770 1.00 65.23 H new ATOM 0 HG23 VAL A 31 1.302 10.527 1.388 1.00 65.23 H new ATOM 468 N ALA A 32 2.159 8.704 -2.807 1.00 63.50 N ATOM 469 CA ALA A 32 2.233 8.398 -4.231 1.00 12.50 C ATOM 470 C ALA A 32 2.671 6.955 -4.475 1.00 53.33 C ATOM 471 O ALA A 32 1.941 6.177 -5.090 1.00 0.43 O ATOM 472 CB ALA A 32 3.177 9.364 -4.928 1.00 12.42 C ATOM 0 H ALA A 32 2.851 9.381 -2.487 1.00 63.50 H new ATOM 0 HA ALA A 32 1.233 8.514 -4.649 1.00 12.50 H new ATOM 0 HB1 ALA A 32 3.223 9.125 -5.990 1.00 12.42 H new ATOM 0 HB2 ALA A 32 2.813 10.384 -4.801 1.00 12.42 H new ATOM 0 HB3 ALA A 32 4.173 9.277 -4.493 1.00 12.42 H new ATOM 478 N GLU A 33 3.856 6.598 -3.987 1.00 70.23 N ATOM 479 CA GLU A 33 4.383 5.246 -4.167 1.00 14.12 C ATOM 480 C GLU A 33 3.492 4.195 -3.507 1.00 32.10 C ATOM 481 O GLU A 33 3.391 3.071 -3.994 1.00 50.22 O ATOM 482 CB GLU A 33 5.824 5.124 -3.646 1.00 24.30 C ATOM 483 CG GLU A 33 6.149 6.009 -2.459 1.00 1.32 C ATOM 484 CD GLU A 33 6.686 7.361 -2.871 1.00 74.15 C ATOM 485 OE1 GLU A 33 5.894 8.207 -3.321 1.00 12.11 O ATOM 486 OE2 GLU A 33 7.910 7.577 -2.749 1.00 5.03 O ATOM 0 H GLU A 33 4.469 7.224 -3.465 1.00 70.23 H new ATOM 0 HA GLU A 33 4.390 5.057 -5.240 1.00 14.12 H new ATOM 0 HB2 GLU A 33 6.008 4.086 -3.368 1.00 24.30 H new ATOM 0 HB3 GLU A 33 6.510 5.363 -4.458 1.00 24.30 H new ATOM 0 HG2 GLU A 33 5.251 6.147 -1.857 1.00 1.32 H new ATOM 0 HG3 GLU A 33 6.882 5.508 -1.827 1.00 1.32 H new ATOM 493 N LEU A 34 2.842 4.558 -2.405 1.00 12.15 N ATOM 494 CA LEU A 34 1.896 3.655 -1.754 1.00 63.32 C ATOM 495 C LEU A 34 0.738 3.333 -2.692 1.00 23.12 C ATOM 496 O LEU A 34 0.321 2.181 -2.809 1.00 43.53 O ATOM 497 CB LEU A 34 1.364 4.261 -0.455 1.00 23.15 C ATOM 498 CG LEU A 34 2.377 4.352 0.689 1.00 51.42 C ATOM 499 CD1 LEU A 34 1.745 5.005 1.903 1.00 50.14 C ATOM 500 CD2 LEU A 34 2.914 2.972 1.045 1.00 23.23 C ATOM 0 H LEU A 34 2.951 5.463 -1.947 1.00 12.15 H new ATOM 0 HA LEU A 34 2.424 2.733 -1.511 1.00 63.32 H new ATOM 0 HB2 LEU A 34 0.990 5.263 -0.667 1.00 23.15 H new ATOM 0 HB3 LEU A 34 0.514 3.668 -0.119 1.00 23.15 H new ATOM 0 HG LEU A 34 3.213 4.968 0.358 1.00 51.42 H new ATOM 0 HD11 LEU A 34 2.478 5.063 2.708 1.00 50.14 H new ATOM 0 HD12 LEU A 34 1.411 6.010 1.643 1.00 50.14 H new ATOM 0 HD13 LEU A 34 0.891 4.413 2.231 1.00 50.14 H new ATOM 0 HD21 LEU A 34 3.632 3.060 1.860 1.00 23.23 H new ATOM 0 HD22 LEU A 34 2.090 2.330 1.355 1.00 23.23 H new ATOM 0 HD23 LEU A 34 3.405 2.537 0.174 1.00 23.23 H new ATOM 512 N LYS A 35 0.233 4.357 -3.373 1.00 12.24 N ATOM 513 CA LYS A 35 -0.837 4.171 -4.342 1.00 34.54 C ATOM 514 C LYS A 35 -0.336 3.385 -5.545 1.00 62.42 C ATOM 515 O LYS A 35 -1.073 2.588 -6.119 1.00 12.44 O ATOM 516 CB LYS A 35 -1.411 5.517 -4.781 1.00 43.00 C ATOM 517 CG LYS A 35 -2.229 6.199 -3.700 1.00 3.43 C ATOM 518 CD LYS A 35 -2.758 7.544 -4.157 1.00 53.32 C ATOM 519 CE LYS A 35 -3.645 8.165 -3.092 1.00 75.54 C ATOM 520 NZ LYS A 35 -4.116 9.519 -3.471 1.00 3.21 N ATOM 0 H LYS A 35 0.548 5.322 -3.271 1.00 12.24 H new ATOM 0 HA LYS A 35 -1.634 3.601 -3.865 1.00 34.54 H new ATOM 0 HB2 LYS A 35 -0.593 6.174 -5.078 1.00 43.00 H new ATOM 0 HB3 LYS A 35 -2.036 5.368 -5.661 1.00 43.00 H new ATOM 0 HG2 LYS A 35 -3.064 5.558 -3.417 1.00 3.43 H new ATOM 0 HG3 LYS A 35 -1.614 6.334 -2.810 1.00 3.43 H new ATOM 0 HD2 LYS A 35 -1.925 8.212 -4.377 1.00 53.32 H new ATOM 0 HD3 LYS A 35 -3.323 7.423 -5.081 1.00 53.32 H new ATOM 0 HE2 LYS A 35 -4.505 7.519 -2.917 1.00 75.54 H new ATOM 0 HE3 LYS A 35 -3.095 8.224 -2.153 1.00 75.54 H new ATOM 0 HZ1 LYS A 35 -4.717 9.902 -2.714 1.00 3.21 H new ATOM 0 HZ2 LYS A 35 -3.297 10.144 -3.613 1.00 3.21 H new ATOM 0 HZ3 LYS A 35 -4.664 9.462 -4.353 1.00 3.21 H new ATOM 534 N GLN A 36 0.921 3.605 -5.918 1.00 33.52 N ATOM 535 CA GLN A 36 1.542 2.835 -6.991 1.00 70.40 C ATOM 536 C GLN A 36 1.531 1.349 -6.653 1.00 62.24 C ATOM 537 O GLN A 36 1.132 0.520 -7.471 1.00 51.44 O ATOM 538 CB GLN A 36 2.977 3.309 -7.237 1.00 31.14 C ATOM 539 CG GLN A 36 3.064 4.702 -7.844 1.00 64.35 C ATOM 540 CD GLN A 36 2.494 4.766 -9.252 1.00 42.10 C ATOM 541 OE1 GLN A 36 1.929 5.781 -9.661 1.00 42.30 O ATOM 542 NE2 GLN A 36 2.676 3.701 -10.019 1.00 54.12 N ATOM 0 H GLN A 36 1.528 4.307 -5.495 1.00 33.52 H new ATOM 0 HA GLN A 36 0.965 2.993 -7.902 1.00 70.40 H new ATOM 0 HB2 GLN A 36 3.521 3.299 -6.292 1.00 31.14 H new ATOM 0 HB3 GLN A 36 3.476 2.602 -7.899 1.00 31.14 H new ATOM 0 HG2 GLN A 36 2.528 5.405 -7.207 1.00 64.35 H new ATOM 0 HG3 GLN A 36 4.106 5.021 -7.864 1.00 64.35 H new ATOM 0 HE21 GLN A 36 3.149 2.878 -9.645 1.00 54.12 H new ATOM 0 HE22 GLN A 36 2.344 3.704 -10.983 1.00 54.12 H new ATOM 551 N GLU A 37 1.946 1.026 -5.433 1.00 61.32 N ATOM 552 CA GLU A 37 1.961 -0.351 -4.956 1.00 61.12 C ATOM 553 C GLU A 37 0.564 -0.967 -4.991 1.00 55.44 C ATOM 554 O GLU A 37 0.409 -2.174 -5.182 1.00 20.44 O ATOM 555 CB GLU A 37 2.517 -0.406 -3.532 1.00 20.45 C ATOM 556 CG GLU A 37 4.000 -0.098 -3.440 1.00 24.53 C ATOM 557 CD GLU A 37 4.845 -1.096 -4.202 1.00 45.23 C ATOM 558 OE1 GLU A 37 5.001 -2.239 -3.718 1.00 72.51 O ATOM 559 OE2 GLU A 37 5.352 -0.749 -5.287 1.00 23.41 O ATOM 0 H GLU A 37 2.279 1.707 -4.751 1.00 61.32 H new ATOM 0 HA GLU A 37 2.603 -0.929 -5.620 1.00 61.12 H new ATOM 0 HB2 GLU A 37 1.969 0.303 -2.911 1.00 20.45 H new ATOM 0 HB3 GLU A 37 2.335 -1.398 -3.119 1.00 20.45 H new ATOM 0 HG2 GLU A 37 4.185 0.903 -3.829 1.00 24.53 H new ATOM 0 HG3 GLU A 37 4.303 -0.094 -2.393 1.00 24.53 H new ATOM 566 N LEU A 38 -0.448 -0.137 -4.800 1.00 61.25 N ATOM 567 CA LEU A 38 -1.828 -0.595 -4.831 1.00 25.04 C ATOM 568 C LEU A 38 -2.311 -0.802 -6.265 1.00 42.33 C ATOM 569 O LEU A 38 -2.758 -1.891 -6.627 1.00 13.42 O ATOM 570 CB LEU A 38 -2.734 0.408 -4.116 1.00 25.40 C ATOM 571 CG LEU A 38 -2.535 0.503 -2.602 1.00 22.24 C ATOM 572 CD1 LEU A 38 -3.292 1.690 -2.041 1.00 71.32 C ATOM 573 CD2 LEU A 38 -2.992 -0.777 -1.919 1.00 54.10 C ATOM 0 H LEU A 38 -0.339 0.861 -4.621 1.00 61.25 H new ATOM 0 HA LEU A 38 -1.874 -1.554 -4.314 1.00 25.04 H new ATOM 0 HB2 LEU A 38 -2.571 1.394 -4.550 1.00 25.40 H new ATOM 0 HB3 LEU A 38 -3.772 0.141 -4.314 1.00 25.40 H new ATOM 0 HG LEU A 38 -1.471 0.641 -2.407 1.00 22.24 H new ATOM 0 HD11 LEU A 38 -3.139 1.742 -0.963 1.00 71.32 H new ATOM 0 HD12 LEU A 38 -2.927 2.607 -2.504 1.00 71.32 H new ATOM 0 HD13 LEU A 38 -4.355 1.576 -2.252 1.00 71.32 H new ATOM 0 HD21 LEU A 38 -2.842 -0.689 -0.843 1.00 54.10 H new ATOM 0 HD22 LEU A 38 -4.049 -0.942 -2.126 1.00 54.10 H new ATOM 0 HD23 LEU A 38 -2.412 -1.619 -2.298 1.00 54.10 H new ATOM 585 N LYS A 39 -2.197 0.236 -7.083 1.00 20.41 N ATOM 586 CA LYS A 39 -2.741 0.211 -8.441 1.00 11.45 C ATOM 587 C LYS A 39 -2.048 -0.829 -9.317 1.00 13.13 C ATOM 588 O LYS A 39 -2.657 -1.382 -10.232 1.00 60.01 O ATOM 589 CB LYS A 39 -2.648 1.601 -9.082 1.00 11.54 C ATOM 590 CG LYS A 39 -1.232 2.142 -9.213 1.00 40.53 C ATOM 591 CD LYS A 39 -1.233 3.629 -9.534 1.00 65.34 C ATOM 592 CE LYS A 39 -1.871 3.923 -10.884 1.00 64.51 C ATOM 593 NZ LYS A 39 -2.053 5.382 -11.094 1.00 43.21 N ATOM 0 H LYS A 39 -1.732 1.109 -6.832 1.00 20.41 H new ATOM 0 HA LYS A 39 -3.790 -0.075 -8.365 1.00 11.45 H new ATOM 0 HB2 LYS A 39 -3.101 1.561 -10.072 1.00 11.54 H new ATOM 0 HB3 LYS A 39 -3.237 2.301 -8.489 1.00 11.54 H new ATOM 0 HG2 LYS A 39 -0.688 1.969 -8.285 1.00 40.53 H new ATOM 0 HG3 LYS A 39 -0.705 1.599 -9.998 1.00 40.53 H new ATOM 0 HD2 LYS A 39 -1.772 4.167 -8.754 1.00 65.34 H new ATOM 0 HD3 LYS A 39 -0.209 4.001 -9.529 1.00 65.34 H new ATOM 0 HE2 LYS A 39 -1.247 3.515 -11.679 1.00 64.51 H new ATOM 0 HE3 LYS A 39 -2.837 3.422 -10.948 1.00 64.51 H new ATOM 0 HZ1 LYS A 39 -2.490 5.547 -12.023 1.00 43.21 H new ATOM 0 HZ2 LYS A 39 -2.669 5.766 -10.349 1.00 43.21 H new ATOM 0 HZ3 LYS A 39 -1.128 5.856 -11.057 1.00 43.21 H new ATOM 607 N LEU A 40 -0.784 -1.112 -9.023 1.00 41.10 N ATOM 608 CA LEU A 40 -0.030 -2.104 -9.784 1.00 43.42 C ATOM 609 C LEU A 40 -0.429 -3.522 -9.384 1.00 22.00 C ATOM 610 O LEU A 40 -0.053 -4.491 -10.038 1.00 74.41 O ATOM 611 CB LEU A 40 1.476 -1.907 -9.587 1.00 41.45 C ATOM 612 CG LEU A 40 2.045 -0.612 -10.170 1.00 75.32 C ATOM 613 CD1 LEU A 40 3.541 -0.524 -9.912 1.00 62.34 C ATOM 614 CD2 LEU A 40 1.757 -0.520 -11.661 1.00 21.33 C ATOM 0 H LEU A 40 -0.261 -0.671 -8.267 1.00 41.10 H new ATOM 0 HA LEU A 40 -0.268 -1.964 -10.839 1.00 43.42 H new ATOM 0 HB2 LEU A 40 1.693 -1.932 -8.519 1.00 41.45 H new ATOM 0 HB3 LEU A 40 1.999 -2.750 -10.038 1.00 41.45 H new ATOM 0 HG LEU A 40 1.558 0.228 -9.675 1.00 75.32 H new ATOM 0 HD11 LEU A 40 3.929 0.403 -10.333 1.00 62.34 H new ATOM 0 HD12 LEU A 40 3.727 -0.540 -8.838 1.00 62.34 H new ATOM 0 HD13 LEU A 40 4.041 -1.372 -10.379 1.00 62.34 H new ATOM 0 HD21 LEU A 40 2.170 0.408 -12.055 1.00 21.33 H new ATOM 0 HD22 LEU A 40 2.214 -1.367 -12.173 1.00 21.33 H new ATOM 0 HD23 LEU A 40 0.680 -0.536 -11.825 1.00 21.33 H new ATOM 626 N ARG A 41 -1.194 -3.636 -8.306 1.00 43.31 N ATOM 627 CA ARG A 41 -1.658 -4.931 -7.828 1.00 40.44 C ATOM 628 C ARG A 41 -3.181 -5.019 -7.890 1.00 51.33 C ATOM 629 O ARG A 41 -3.782 -5.915 -7.295 1.00 11.14 O ATOM 630 CB ARG A 41 -1.176 -5.173 -6.397 1.00 54.45 C ATOM 631 CG ARG A 41 0.330 -5.351 -6.282 1.00 73.55 C ATOM 632 CD ARG A 41 0.763 -5.474 -4.831 1.00 12.40 C ATOM 633 NE ARG A 41 2.203 -5.709 -4.698 1.00 13.43 N ATOM 634 CZ ARG A 41 3.078 -4.774 -4.331 1.00 21.53 C ATOM 635 NH1 ARG A 41 2.685 -3.529 -4.136 1.00 31.24 N ATOM 636 NH2 ARG A 41 4.354 -5.081 -4.162 1.00 34.30 N ATOM 0 H ARG A 41 -1.507 -2.844 -7.745 1.00 43.31 H new ATOM 0 HA ARG A 41 -1.242 -5.702 -8.477 1.00 40.44 H new ATOM 0 HB2 ARG A 41 -1.483 -4.334 -5.773 1.00 54.45 H new ATOM 0 HB3 ARG A 41 -1.669 -6.061 -6.002 1.00 54.45 H new ATOM 0 HG2 ARG A 41 0.636 -6.241 -6.832 1.00 73.55 H new ATOM 0 HG3 ARG A 41 0.835 -4.502 -6.744 1.00 73.55 H new ATOM 0 HD2 ARG A 41 0.495 -4.563 -4.296 1.00 12.40 H new ATOM 0 HD3 ARG A 41 0.219 -6.292 -4.360 1.00 12.40 H new ATOM 0 HE ARG A 41 2.557 -6.644 -4.898 1.00 13.43 H new ATOM 0 HH11 ARG A 41 1.705 -3.277 -4.266 1.00 31.24 H new ATOM 0 HH12 ARG A 41 3.361 -2.819 -3.855 1.00 31.24 H new ATOM 0 HH21 ARG A 41 4.673 -6.038 -4.313 1.00 34.30 H new ATOM 0 HH22 ARG A 41 5.019 -4.360 -3.881 1.00 34.30 H new ATOM 650 N SER A 42 -3.789 -4.082 -8.621 1.00 1.32 N ATOM 651 CA SER A 42 -5.245 -4.036 -8.795 1.00 13.53 C ATOM 652 C SER A 42 -5.956 -3.775 -7.464 1.00 2.11 C ATOM 653 O SER A 42 -7.024 -4.327 -7.193 1.00 72.41 O ATOM 654 CB SER A 42 -5.747 -5.339 -9.425 1.00 14.41 C ATOM 655 OG SER A 42 -5.112 -5.583 -10.673 1.00 11.33 O ATOM 0 H SER A 42 -3.290 -3.337 -9.107 1.00 1.32 H new ATOM 0 HA SER A 42 -5.478 -3.209 -9.465 1.00 13.53 H new ATOM 0 HB2 SER A 42 -5.556 -6.171 -8.748 1.00 14.41 H new ATOM 0 HB3 SER A 42 -6.826 -5.285 -9.567 1.00 14.41 H new ATOM 0 HG SER A 42 -5.449 -6.421 -11.053 1.00 11.33 H new ATOM 661 N LEU A 43 -5.354 -2.926 -6.648 1.00 41.44 N ATOM 662 CA LEU A 43 -5.927 -2.536 -5.368 1.00 3.21 C ATOM 663 C LEU A 43 -6.445 -1.103 -5.439 1.00 24.02 C ATOM 664 O LEU A 43 -5.928 -0.293 -6.212 1.00 51.35 O ATOM 665 CB LEU A 43 -4.866 -2.655 -4.272 1.00 14.22 C ATOM 666 CG LEU A 43 -4.488 -4.081 -3.882 1.00 42.22 C ATOM 667 CD1 LEU A 43 -3.123 -4.106 -3.215 1.00 73.12 C ATOM 668 CD2 LEU A 43 -5.531 -4.661 -2.946 1.00 2.04 C ATOM 0 H LEU A 43 -4.456 -2.488 -6.852 1.00 41.44 H new ATOM 0 HA LEU A 43 -6.761 -3.198 -5.134 1.00 3.21 H new ATOM 0 HB2 LEU A 43 -3.966 -2.136 -4.602 1.00 14.22 H new ATOM 0 HB3 LEU A 43 -5.225 -2.136 -3.383 1.00 14.22 H new ATOM 0 HG LEU A 43 -4.446 -4.687 -4.787 1.00 42.22 H new ATOM 0 HD11 LEU A 43 -2.869 -5.131 -2.943 1.00 73.12 H new ATOM 0 HD12 LEU A 43 -2.374 -3.717 -3.905 1.00 73.12 H new ATOM 0 HD13 LEU A 43 -3.145 -3.488 -2.318 1.00 73.12 H new ATOM 0 HD21 LEU A 43 -5.251 -5.679 -2.675 1.00 2.04 H new ATOM 0 HD22 LEU A 43 -5.593 -4.049 -2.046 1.00 2.04 H new ATOM 0 HD23 LEU A 43 -6.501 -4.672 -3.444 1.00 2.04 H new ATOM 680 N PRO A 44 -7.490 -0.778 -4.661 1.00 1.23 N ATOM 681 CA PRO A 44 -8.012 0.589 -4.566 1.00 3.43 C ATOM 682 C PRO A 44 -6.993 1.537 -3.936 1.00 51.53 C ATOM 683 O PRO A 44 -6.461 1.265 -2.860 1.00 23.43 O ATOM 684 CB PRO A 44 -9.250 0.451 -3.667 1.00 2.35 C ATOM 685 CG PRO A 44 -9.571 -1.004 -3.664 1.00 72.32 C ATOM 686 CD PRO A 44 -8.259 -1.713 -3.830 1.00 10.25 C ATOM 0 HA PRO A 44 -8.240 1.010 -5.545 1.00 3.43 H new ATOM 0 HB2 PRO A 44 -9.046 0.811 -2.659 1.00 2.35 H new ATOM 0 HB3 PRO A 44 -10.084 1.037 -4.053 1.00 2.35 H new ATOM 0 HG2 PRO A 44 -10.058 -1.295 -2.733 1.00 72.32 H new ATOM 0 HG3 PRO A 44 -10.256 -1.255 -4.474 1.00 72.32 H new ATOM 0 HD2 PRO A 44 -7.774 -1.896 -2.871 1.00 10.25 H new ATOM 0 HD3 PRO A 44 -8.380 -2.681 -4.316 1.00 10.25 H new ATOM 694 N VAL A 45 -6.738 2.655 -4.603 1.00 64.23 N ATOM 695 CA VAL A 45 -5.699 3.590 -4.177 1.00 15.22 C ATOM 696 C VAL A 45 -6.267 4.696 -3.293 1.00 43.11 C ATOM 697 O VAL A 45 -5.573 5.653 -2.952 1.00 22.11 O ATOM 698 CB VAL A 45 -4.985 4.228 -5.387 1.00 53.24 C ATOM 699 CG1 VAL A 45 -4.329 3.159 -6.245 1.00 64.01 C ATOM 700 CG2 VAL A 45 -5.952 5.062 -6.216 1.00 31.24 C ATOM 0 H VAL A 45 -7.238 2.939 -5.445 1.00 64.23 H new ATOM 0 HA VAL A 45 -4.978 3.011 -3.600 1.00 15.22 H new ATOM 0 HB VAL A 45 -4.208 4.892 -5.008 1.00 53.24 H new ATOM 0 HG11 VAL A 45 -3.831 3.628 -7.093 1.00 64.01 H new ATOM 0 HG12 VAL A 45 -3.596 2.614 -5.650 1.00 64.01 H new ATOM 0 HG13 VAL A 45 -5.089 2.467 -6.608 1.00 64.01 H new ATOM 0 HG21 VAL A 45 -5.422 5.500 -7.062 1.00 31.24 H new ATOM 0 HG22 VAL A 45 -6.759 4.427 -6.582 1.00 31.24 H new ATOM 0 HG23 VAL A 45 -6.369 5.857 -5.598 1.00 31.24 H new ATOM 710 N SER A 46 -7.525 4.562 -2.923 1.00 74.43 N ATOM 711 CA SER A 46 -8.182 5.558 -2.092 1.00 42.43 C ATOM 712 C SER A 46 -7.897 5.299 -0.611 1.00 63.24 C ATOM 713 O SER A 46 -7.871 4.151 -0.167 1.00 51.44 O ATOM 714 CB SER A 46 -9.685 5.542 -2.363 1.00 33.12 C ATOM 715 OG SER A 46 -9.951 5.731 -3.746 1.00 22.52 O ATOM 0 H SER A 46 -8.116 3.773 -3.184 1.00 74.43 H new ATOM 0 HA SER A 46 -7.788 6.543 -2.341 1.00 42.43 H new ATOM 0 HB2 SER A 46 -10.108 4.593 -2.033 1.00 33.12 H new ATOM 0 HB3 SER A 46 -10.172 6.327 -1.784 1.00 33.12 H new ATOM 0 HG SER A 46 -10.919 5.716 -3.898 1.00 22.52 H new ATOM 721 N GLY A 47 -7.677 6.371 0.142 1.00 52.25 N ATOM 722 CA GLY A 47 -7.389 6.241 1.557 1.00 43.41 C ATOM 723 C GLY A 47 -6.260 7.153 2.000 1.00 41.44 C ATOM 724 O GLY A 47 -5.636 7.830 1.175 1.00 24.11 O ATOM 0 H GLY A 47 -7.693 7.330 -0.204 1.00 52.25 H new ATOM 0 HA2 GLY A 47 -8.286 6.472 2.131 1.00 43.41 H new ATOM 0 HA3 GLY A 47 -7.126 5.207 1.779 1.00 43.41 H new ATOM 728 N THR A 48 -6.014 7.186 3.302 1.00 13.22 N ATOM 729 CA THR A 48 -4.939 7.990 3.869 1.00 54.15 C ATOM 730 C THR A 48 -3.635 7.192 3.952 1.00 45.15 C ATOM 731 O THR A 48 -3.580 6.042 3.513 1.00 33.32 O ATOM 732 CB THR A 48 -5.321 8.504 5.270 1.00 71.23 C ATOM 733 OG1 THR A 48 -5.735 7.411 6.099 1.00 13.11 O ATOM 734 CG2 THR A 48 -6.440 9.532 5.186 1.00 61.31 C ATOM 0 H THR A 48 -6.550 6.660 3.992 1.00 13.22 H new ATOM 0 HA THR A 48 -4.785 8.842 3.207 1.00 54.15 H new ATOM 0 HB THR A 48 -4.443 8.980 5.707 1.00 71.23 H new ATOM 0 HG1 THR A 48 -6.681 7.215 5.934 1.00 13.11 H new ATOM 0 HG21 THR A 48 -6.691 9.879 6.188 1.00 61.31 H new ATOM 0 HG22 THR A 48 -6.113 10.377 4.581 1.00 61.31 H new ATOM 0 HG23 THR A 48 -7.319 9.077 4.729 1.00 61.31 H new ATOM 742 N LYS A 49 -2.599 7.800 4.533 1.00 43.30 N ATOM 743 CA LYS A 49 -1.267 7.196 4.601 1.00 13.35 C ATOM 744 C LYS A 49 -1.311 5.788 5.196 1.00 52.21 C ATOM 745 O LYS A 49 -0.958 4.815 4.528 1.00 23.33 O ATOM 746 CB LYS A 49 -0.338 8.087 5.434 1.00 70.32 C ATOM 747 CG LYS A 49 1.051 7.508 5.656 1.00 51.30 C ATOM 748 CD LYS A 49 1.903 7.578 4.402 1.00 72.43 C ATOM 749 CE LYS A 49 3.297 7.007 4.636 1.00 35.45 C ATOM 750 NZ LYS A 49 3.992 7.669 5.775 1.00 41.54 N ATOM 0 H LYS A 49 -2.659 8.721 4.968 1.00 43.30 H new ATOM 0 HA LYS A 49 -0.885 7.112 3.584 1.00 13.35 H new ATOM 0 HB2 LYS A 49 -0.241 9.054 4.940 1.00 70.32 H new ATOM 0 HB3 LYS A 49 -0.802 8.270 6.403 1.00 70.32 H new ATOM 0 HG2 LYS A 49 1.546 8.051 6.461 1.00 51.30 H new ATOM 0 HG3 LYS A 49 0.964 6.470 5.978 1.00 51.30 H new ATOM 0 HD2 LYS A 49 1.414 7.027 3.598 1.00 72.43 H new ATOM 0 HD3 LYS A 49 1.984 8.614 4.074 1.00 72.43 H new ATOM 0 HE2 LYS A 49 3.222 5.937 4.831 1.00 35.45 H new ATOM 0 HE3 LYS A 49 3.893 7.125 3.731 1.00 35.45 H new ATOM 0 HZ1 LYS A 49 5.021 7.599 5.642 1.00 41.54 H new ATOM 0 HZ2 LYS A 49 3.716 8.671 5.815 1.00 41.54 H new ATOM 0 HZ3 LYS A 49 3.725 7.200 6.664 1.00 41.54 H new ATOM 764 N THR A 50 -1.760 5.684 6.442 1.00 51.34 N ATOM 765 CA THR A 50 -1.801 4.404 7.140 1.00 11.03 C ATOM 766 C THR A 50 -2.695 3.394 6.416 1.00 42.53 C ATOM 767 O THR A 50 -2.371 2.209 6.354 1.00 20.01 O ATOM 768 CB THR A 50 -2.299 4.575 8.588 1.00 55.53 C ATOM 769 OG1 THR A 50 -1.569 5.624 9.239 1.00 11.12 O ATOM 770 CG2 THR A 50 -2.135 3.282 9.380 1.00 53.35 C ATOM 0 H THR A 50 -2.102 6.473 6.991 1.00 51.34 H new ATOM 0 HA THR A 50 -0.780 4.022 7.154 1.00 11.03 H new ATOM 0 HB THR A 50 -3.358 4.831 8.550 1.00 55.53 H new ATOM 0 HG1 THR A 50 -1.893 5.727 10.158 1.00 11.12 H new ATOM 0 HG21 THR A 50 -2.494 3.431 10.398 1.00 53.35 H new ATOM 0 HG22 THR A 50 -2.711 2.488 8.904 1.00 53.35 H new ATOM 0 HG23 THR A 50 -1.082 3.001 9.404 1.00 53.35 H new ATOM 778 N GLU A 51 -3.801 3.873 5.850 1.00 0.43 N ATOM 779 CA GLU A 51 -4.760 2.997 5.183 1.00 45.21 C ATOM 780 C GLU A 51 -4.142 2.329 3.958 1.00 63.32 C ATOM 781 O GLU A 51 -4.339 1.137 3.729 1.00 15.32 O ATOM 782 CB GLU A 51 -6.007 3.781 4.780 1.00 63.33 C ATOM 783 CG GLU A 51 -6.789 4.322 5.963 1.00 64.35 C ATOM 784 CD GLU A 51 -8.019 5.091 5.540 1.00 31.15 C ATOM 785 OE1 GLU A 51 -7.872 6.245 5.083 1.00 44.30 O ATOM 786 OE2 GLU A 51 -9.135 4.550 5.659 1.00 40.13 O ATOM 0 H GLU A 51 -4.054 4.861 5.840 1.00 0.43 H new ATOM 0 HA GLU A 51 -5.044 2.216 5.888 1.00 45.21 H new ATOM 0 HB2 GLU A 51 -5.713 4.612 4.138 1.00 63.33 H new ATOM 0 HB3 GLU A 51 -6.657 3.136 4.189 1.00 63.33 H new ATOM 0 HG2 GLU A 51 -7.086 3.495 6.608 1.00 64.35 H new ATOM 0 HG3 GLU A 51 -6.144 4.972 6.555 1.00 64.35 H new ATOM 793 N LEU A 52 -3.391 3.098 3.179 1.00 54.12 N ATOM 794 CA LEU A 52 -2.715 2.563 2.000 1.00 75.53 C ATOM 795 C LEU A 52 -1.706 1.494 2.414 1.00 62.44 C ATOM 796 O LEU A 52 -1.628 0.422 1.809 1.00 61.12 O ATOM 797 CB LEU A 52 -2.003 3.682 1.235 1.00 54.32 C ATOM 798 CG LEU A 52 -2.879 4.874 0.839 1.00 63.23 C ATOM 799 CD1 LEU A 52 -2.053 5.908 0.089 1.00 74.03 C ATOM 800 CD2 LEU A 52 -4.063 4.422 -0.003 1.00 14.15 C ATOM 0 H LEU A 52 -3.234 4.093 3.341 1.00 54.12 H new ATOM 0 HA LEU A 52 -3.463 2.115 1.347 1.00 75.53 H new ATOM 0 HB2 LEU A 52 -1.178 4.048 1.846 1.00 54.32 H new ATOM 0 HB3 LEU A 52 -1.566 3.259 0.330 1.00 54.32 H new ATOM 0 HG LEU A 52 -3.268 5.331 1.749 1.00 63.23 H new ATOM 0 HD11 LEU A 52 -2.688 6.750 -0.187 1.00 74.03 H new ATOM 0 HD12 LEU A 52 -1.242 6.259 0.727 1.00 74.03 H new ATOM 0 HD13 LEU A 52 -1.637 5.457 -0.812 1.00 74.03 H new ATOM 0 HD21 LEU A 52 -4.670 5.287 -0.271 1.00 14.15 H new ATOM 0 HD22 LEU A 52 -3.701 3.937 -0.910 1.00 14.15 H new ATOM 0 HD23 LEU A 52 -4.668 3.718 0.568 1.00 14.15 H new ATOM 812 N ILE A 53 -0.952 1.797 3.466 1.00 3.43 N ATOM 813 CA ILE A 53 0.029 0.869 4.016 1.00 41.35 C ATOM 814 C ILE A 53 -0.647 -0.416 4.484 1.00 72.13 C ATOM 815 O ILE A 53 -0.218 -1.521 4.146 1.00 31.41 O ATOM 816 CB ILE A 53 0.769 1.495 5.219 1.00 65.05 C ATOM 817 CG1 ILE A 53 1.437 2.815 4.815 1.00 41.21 C ATOM 818 CG2 ILE A 53 1.804 0.526 5.779 1.00 22.02 C ATOM 819 CD1 ILE A 53 2.096 3.541 5.970 1.00 21.10 C ATOM 0 H ILE A 53 -1.003 2.688 3.959 1.00 3.43 H new ATOM 0 HA ILE A 53 0.742 0.646 3.223 1.00 41.35 H new ATOM 0 HB ILE A 53 0.035 1.703 5.998 1.00 65.05 H new ATOM 0 HG12 ILE A 53 2.186 2.614 4.049 1.00 41.21 H new ATOM 0 HG13 ILE A 53 0.689 3.468 4.366 1.00 41.21 H new ATOM 0 HG21 ILE A 53 2.313 0.987 6.625 1.00 22.02 H new ATOM 0 HG22 ILE A 53 1.307 -0.387 6.108 1.00 22.02 H new ATOM 0 HG23 ILE A 53 2.532 0.284 5.005 1.00 22.02 H new ATOM 0 HD11 ILE A 53 2.547 4.465 5.609 1.00 21.10 H new ATOM 0 HD12 ILE A 53 1.348 3.774 6.728 1.00 21.10 H new ATOM 0 HD13 ILE A 53 2.868 2.907 6.406 1.00 21.10 H new ATOM 831 N GLU A 54 -1.708 -0.254 5.255 1.00 53.13 N ATOM 832 CA GLU A 54 -2.391 -1.368 5.869 1.00 12.13 C ATOM 833 C GLU A 54 -3.043 -2.270 4.822 1.00 75.42 C ATOM 834 O GLU A 54 -2.998 -3.495 4.940 1.00 43.32 O ATOM 835 CB GLU A 54 -3.429 -0.834 6.843 1.00 41.43 C ATOM 836 CG GLU A 54 -3.893 -1.861 7.844 1.00 52.24 C ATOM 837 CD GLU A 54 -2.757 -2.414 8.683 1.00 72.51 C ATOM 838 OE1 GLU A 54 -2.404 -1.784 9.699 1.00 60.33 O ATOM 839 OE2 GLU A 54 -2.209 -3.481 8.332 1.00 43.42 O ATOM 0 H GLU A 54 -2.117 0.655 5.470 1.00 53.13 H new ATOM 0 HA GLU A 54 -1.664 -1.977 6.406 1.00 12.13 H new ATOM 0 HB2 GLU A 54 -3.011 0.020 7.376 1.00 41.43 H new ATOM 0 HB3 GLU A 54 -4.289 -0.469 6.282 1.00 41.43 H new ATOM 0 HG2 GLU A 54 -4.639 -1.412 8.500 1.00 52.24 H new ATOM 0 HG3 GLU A 54 -4.383 -2.680 7.318 1.00 52.24 H new ATOM 846 N ARG A 55 -3.631 -1.669 3.790 1.00 52.22 N ATOM 847 CA ARG A 55 -4.258 -2.443 2.725 1.00 42.22 C ATOM 848 C ARG A 55 -3.220 -3.319 2.031 1.00 52.32 C ATOM 849 O ARG A 55 -3.484 -4.480 1.717 1.00 60.45 O ATOM 850 CB ARG A 55 -4.943 -1.536 1.699 1.00 0.12 C ATOM 851 CG ARG A 55 -5.802 -2.314 0.719 1.00 2.41 C ATOM 852 CD ARG A 55 -6.310 -1.446 -0.417 1.00 34.30 C ATOM 853 NE ARG A 55 -7.119 -0.320 0.051 1.00 50.13 N ATOM 854 CZ ARG A 55 -8.449 -0.290 0.018 1.00 21.14 C ATOM 855 NH1 ARG A 55 -9.140 -1.389 -0.274 1.00 52.25 N ATOM 856 NH2 ARG A 55 -9.088 0.834 0.333 1.00 43.12 N ATOM 0 H ARG A 55 -3.686 -0.658 3.670 1.00 52.22 H new ATOM 0 HA ARG A 55 -5.021 -3.075 3.179 1.00 42.22 H new ATOM 0 HB2 ARG A 55 -5.562 -0.806 2.220 1.00 0.12 H new ATOM 0 HB3 ARG A 55 -4.185 -0.977 1.149 1.00 0.12 H new ATOM 0 HG2 ARG A 55 -5.223 -3.142 0.310 1.00 2.41 H new ATOM 0 HG3 ARG A 55 -6.650 -2.749 1.248 1.00 2.41 H new ATOM 0 HD2 ARG A 55 -5.461 -1.067 -0.986 1.00 34.30 H new ATOM 0 HD3 ARG A 55 -6.903 -2.056 -1.098 1.00 34.30 H new ATOM 0 HE ARG A 55 -6.632 0.494 0.427 1.00 50.13 H new ATOM 0 HH11 ARG A 55 -8.650 -2.261 -0.474 1.00 52.25 H new ATOM 0 HH12 ARG A 55 -10.159 -1.359 -0.298 1.00 52.25 H new ATOM 0 HH21 ARG A 55 -8.558 1.665 0.597 1.00 43.12 H new ATOM 0 HH22 ARG A 55 -10.107 0.865 0.310 1.00 43.12 H new ATOM 870 N LEU A 56 -2.034 -2.755 1.806 1.00 2.30 N ATOM 871 CA LEU A 56 -0.922 -3.511 1.235 1.00 24.14 C ATOM 872 C LEU A 56 -0.577 -4.699 2.122 1.00 63.30 C ATOM 873 O LEU A 56 -0.426 -5.824 1.642 1.00 71.21 O ATOM 874 CB LEU A 56 0.309 -2.615 1.067 1.00 3.53 C ATOM 875 CG LEU A 56 0.223 -1.591 -0.063 1.00 74.24 C ATOM 876 CD1 LEU A 56 1.415 -0.649 -0.013 1.00 10.03 C ATOM 877 CD2 LEU A 56 0.160 -2.296 -1.410 1.00 3.12 C ATOM 0 H LEU A 56 -1.819 -1.779 2.010 1.00 2.30 H new ATOM 0 HA LEU A 56 -1.227 -3.876 0.255 1.00 24.14 H new ATOM 0 HB2 LEU A 56 0.482 -2.084 2.003 1.00 3.53 H new ATOM 0 HB3 LEU A 56 1.179 -3.249 0.895 1.00 3.53 H new ATOM 0 HG LEU A 56 -0.687 -1.005 0.065 1.00 74.24 H new ATOM 0 HD11 LEU A 56 1.341 0.075 -0.824 1.00 10.03 H new ATOM 0 HD12 LEU A 56 1.424 -0.124 0.942 1.00 10.03 H new ATOM 0 HD13 LEU A 56 2.336 -1.222 -0.121 1.00 10.03 H new ATOM 0 HD21 LEU A 56 0.099 -1.554 -2.206 1.00 3.12 H new ATOM 0 HD22 LEU A 56 1.056 -2.902 -1.546 1.00 3.12 H new ATOM 0 HD23 LEU A 56 -0.720 -2.938 -1.444 1.00 3.12 H new ATOM 889 N ARG A 57 -0.473 -4.438 3.418 1.00 24.34 N ATOM 890 CA ARG A 57 -0.155 -5.470 4.396 1.00 24.33 C ATOM 891 C ARG A 57 -1.202 -6.578 4.395 1.00 33.12 C ATOM 892 O ARG A 57 -0.861 -7.755 4.417 1.00 31.32 O ATOM 893 CB ARG A 57 -0.035 -4.844 5.785 1.00 62.12 C ATOM 894 CG ARG A 57 1.234 -4.031 5.961 1.00 74.42 C ATOM 895 CD ARG A 57 1.025 -2.828 6.868 1.00 54.32 C ATOM 896 NE ARG A 57 0.477 -3.189 8.171 1.00 34.53 N ATOM 897 CZ ARG A 57 1.157 -3.099 9.311 1.00 65.12 C ATOM 898 NH1 ARG A 57 2.439 -2.746 9.297 1.00 61.12 N ATOM 899 NH2 ARG A 57 0.562 -3.371 10.463 1.00 42.04 N ATOM 0 H ARG A 57 -0.606 -3.510 3.820 1.00 24.34 H new ATOM 0 HA ARG A 57 0.799 -5.921 4.123 1.00 24.33 H new ATOM 0 HB2 ARG A 57 -0.898 -4.203 5.965 1.00 62.12 H new ATOM 0 HB3 ARG A 57 -0.062 -5.633 6.537 1.00 62.12 H new ATOM 0 HG2 ARG A 57 2.016 -4.666 6.378 1.00 74.42 H new ATOM 0 HG3 ARG A 57 1.584 -3.692 4.986 1.00 74.42 H new ATOM 0 HD2 ARG A 57 1.977 -2.316 7.009 1.00 54.32 H new ATOM 0 HD3 ARG A 57 0.353 -2.123 6.379 1.00 54.32 H new ATOM 0 HE ARG A 57 -0.483 -3.530 8.210 1.00 34.53 H new ATOM 0 HH11 ARG A 57 2.903 -2.544 8.411 1.00 61.12 H new ATOM 0 HH12 ARG A 57 2.959 -2.678 10.172 1.00 61.12 H new ATOM 0 HH21 ARG A 57 -0.419 -3.650 10.477 1.00 42.04 H new ATOM 0 HH22 ARG A 57 1.085 -3.301 11.336 1.00 42.04 H new ATOM 913 N ALA A 58 -2.472 -6.195 4.356 1.00 73.15 N ATOM 914 CA ALA A 58 -3.563 -7.165 4.337 1.00 31.13 C ATOM 915 C ALA A 58 -3.566 -7.969 3.039 1.00 24.23 C ATOM 916 O ALA A 58 -3.931 -9.146 3.021 1.00 35.10 O ATOM 917 CB ALA A 58 -4.899 -6.466 4.530 1.00 24.12 C ATOM 0 H ALA A 58 -2.773 -5.221 4.337 1.00 73.15 H new ATOM 0 HA ALA A 58 -3.408 -7.860 5.162 1.00 31.13 H new ATOM 0 HB1 ALA A 58 -5.701 -7.204 4.513 1.00 24.12 H new ATOM 0 HB2 ALA A 58 -4.903 -5.947 5.489 1.00 24.12 H new ATOM 0 HB3 ALA A 58 -5.052 -5.745 3.727 1.00 24.12 H new ATOM 923 N TYR A 59 -3.161 -7.325 1.952 1.00 3.24 N ATOM 924 CA TYR A 59 -3.074 -7.980 0.654 1.00 4.45 C ATOM 925 C TYR A 59 -1.918 -8.974 0.633 1.00 61.05 C ATOM 926 O TYR A 59 -2.057 -10.093 0.144 1.00 12.30 O ATOM 927 CB TYR A 59 -2.898 -6.933 -0.453 1.00 53.24 C ATOM 928 CG TYR A 59 -2.777 -7.521 -1.842 1.00 32.00 C ATOM 929 CD1 TYR A 59 -3.893 -8.000 -2.517 1.00 55.50 C ATOM 930 CD2 TYR A 59 -1.545 -7.593 -2.478 1.00 53.44 C ATOM 931 CE1 TYR A 59 -3.784 -8.536 -3.787 1.00 5.41 C ATOM 932 CE2 TYR A 59 -1.428 -8.126 -3.747 1.00 52.11 C ATOM 933 CZ TYR A 59 -2.549 -8.595 -4.398 1.00 34.35 C ATOM 934 OH TYR A 59 -2.430 -9.131 -5.662 1.00 73.23 O ATOM 0 H TYR A 59 -2.886 -6.343 1.945 1.00 3.24 H new ATOM 0 HA TYR A 59 -4.000 -8.527 0.477 1.00 4.45 H new ATOM 0 HB2 TYR A 59 -3.747 -6.250 -0.431 1.00 53.24 H new ATOM 0 HB3 TYR A 59 -2.007 -6.341 -0.241 1.00 53.24 H new ATOM 0 HD1 TYR A 59 -4.862 -7.953 -2.042 1.00 55.50 H new ATOM 0 HD2 TYR A 59 -0.664 -7.226 -1.972 1.00 53.44 H new ATOM 0 HE1 TYR A 59 -4.661 -8.906 -4.297 1.00 5.41 H new ATOM 0 HE2 TYR A 59 -0.462 -8.175 -4.227 1.00 52.11 H new ATOM 0 HH TYR A 59 -1.493 -9.095 -5.946 1.00 73.23 H new ATOM 944 N GLN A 60 -0.782 -8.560 1.177 1.00 11.40 N ATOM 945 CA GLN A 60 0.406 -9.401 1.221 1.00 11.53 C ATOM 946 C GLN A 60 0.188 -10.565 2.190 1.00 53.45 C ATOM 947 O GLN A 60 0.632 -11.691 1.946 1.00 43.34 O ATOM 948 CB GLN A 60 1.613 -8.549 1.646 1.00 61.12 C ATOM 949 CG GLN A 60 2.967 -9.101 1.218 1.00 32.11 C ATOM 950 CD GLN A 60 3.438 -10.278 2.048 1.00 42.41 C ATOM 951 OE1 GLN A 60 3.128 -10.391 3.235 1.00 43.22 O ATOM 952 NE2 GLN A 60 4.191 -11.168 1.424 1.00 33.05 N ATOM 0 H GLN A 60 -0.658 -7.639 1.597 1.00 11.40 H new ATOM 0 HA GLN A 60 0.601 -9.818 0.233 1.00 11.53 H new ATOM 0 HB2 GLN A 60 1.497 -7.548 1.231 1.00 61.12 H new ATOM 0 HB3 GLN A 60 1.604 -8.448 2.731 1.00 61.12 H new ATOM 0 HG2 GLN A 60 2.911 -9.405 0.173 1.00 32.11 H new ATOM 0 HG3 GLN A 60 3.709 -8.305 1.279 1.00 32.11 H new ATOM 0 HE21 GLN A 60 4.425 -11.038 0.440 1.00 33.05 H new ATOM 0 HE22 GLN A 60 4.538 -11.985 1.927 1.00 33.05 H new ATOM 961 N ASP A 61 -0.530 -10.281 3.272 1.00 13.32 N ATOM 962 CA ASP A 61 -0.798 -11.260 4.324 1.00 10.11 C ATOM 963 C ASP A 61 -1.625 -12.431 3.794 1.00 23.32 C ATOM 964 O ASP A 61 -1.327 -13.588 4.076 1.00 13.01 O ATOM 965 CB ASP A 61 -1.542 -10.580 5.478 1.00 70.43 C ATOM 966 CG ASP A 61 -1.573 -11.414 6.745 1.00 43.32 C ATOM 967 OD1 ASP A 61 -2.483 -12.255 6.891 1.00 11.43 O ATOM 968 OD2 ASP A 61 -0.707 -11.197 7.621 1.00 43.00 O ATOM 0 H ASP A 61 -0.944 -9.365 3.446 1.00 13.32 H new ATOM 0 HA ASP A 61 0.155 -11.653 4.678 1.00 10.11 H new ATOM 0 HB2 ASP A 61 -1.068 -9.622 5.693 1.00 70.43 H new ATOM 0 HB3 ASP A 61 -2.564 -10.367 5.166 1.00 70.43 H new ATOM 973 N GLN A 62 -2.644 -12.121 2.996 1.00 60.34 N ATOM 974 CA GLN A 62 -3.560 -13.144 2.490 1.00 55.22 C ATOM 975 C GLN A 62 -2.914 -13.982 1.386 1.00 35.01 C ATOM 976 O GLN A 62 -3.432 -15.035 1.015 1.00 12.41 O ATOM 977 CB GLN A 62 -4.851 -12.502 1.973 1.00 31.22 C ATOM 978 CG GLN A 62 -4.635 -11.526 0.828 1.00 60.03 C ATOM 979 CD GLN A 62 -5.901 -10.798 0.435 1.00 33.32 C ATOM 980 OE1 GLN A 62 -6.650 -11.245 -0.436 1.00 11.30 O ATOM 981 NE2 GLN A 62 -6.156 -9.672 1.083 1.00 42.05 N ATOM 0 H GLN A 62 -2.857 -11.173 2.686 1.00 60.34 H new ATOM 0 HA GLN A 62 -3.799 -13.808 3.321 1.00 55.22 H new ATOM 0 HB2 GLN A 62 -5.531 -13.288 1.644 1.00 31.22 H new ATOM 0 HB3 GLN A 62 -5.341 -11.980 2.795 1.00 31.22 H new ATOM 0 HG2 GLN A 62 -3.876 -10.798 1.115 1.00 60.03 H new ATOM 0 HG3 GLN A 62 -4.248 -12.066 -0.036 1.00 60.03 H new ATOM 0 HE21 GLN A 62 -5.509 -9.337 1.797 1.00 42.05 H new ATOM 0 HE22 GLN A 62 -6.999 -9.140 0.868 1.00 42.05 H new ATOM 990 N ILE A 63 -1.800 -13.504 0.846 1.00 73.43 N ATOM 991 CA ILE A 63 -1.070 -14.249 -0.172 1.00 54.40 C ATOM 992 C ILE A 63 -0.093 -15.218 0.483 1.00 61.43 C ATOM 993 O ILE A 63 0.014 -16.378 0.084 1.00 62.45 O ATOM 994 CB ILE A 63 -0.299 -13.309 -1.128 1.00 62.31 C ATOM 995 CG1 ILE A 63 -1.274 -12.398 -1.878 1.00 42.50 C ATOM 996 CG2 ILE A 63 0.539 -14.113 -2.119 1.00 21.12 C ATOM 997 CD1 ILE A 63 -0.595 -11.405 -2.798 1.00 42.33 C ATOM 0 H ILE A 63 -1.383 -12.607 1.095 1.00 73.43 H new ATOM 0 HA ILE A 63 -1.803 -14.804 -0.758 1.00 54.40 H new ATOM 0 HB ILE A 63 0.373 -12.692 -0.532 1.00 62.31 H new ATOM 0 HG12 ILE A 63 -1.956 -13.015 -2.463 1.00 42.50 H new ATOM 0 HG13 ILE A 63 -1.879 -11.853 -1.153 1.00 42.50 H new ATOM 0 HG21 ILE A 63 1.073 -13.431 -2.781 1.00 21.12 H new ATOM 0 HG22 ILE A 63 1.257 -14.726 -1.575 1.00 21.12 H new ATOM 0 HG23 ILE A 63 -0.114 -14.756 -2.709 1.00 21.12 H new ATOM 0 HD11 ILE A 63 -1.349 -10.795 -3.295 1.00 42.33 H new ATOM 0 HD12 ILE A 63 0.066 -10.763 -2.216 1.00 42.33 H new ATOM 0 HD13 ILE A 63 -0.012 -11.942 -3.547 1.00 42.33 H new ATOM 1009 N SER A 64 0.597 -14.738 1.508 1.00 20.13 N ATOM 1010 CA SER A 64 1.592 -15.535 2.204 1.00 42.43 C ATOM 1011 C SER A 64 0.930 -16.646 3.015 1.00 21.41 C ATOM 1012 O SER A 64 -0.179 -16.480 3.524 1.00 50.22 O ATOM 1013 CB SER A 64 2.415 -14.635 3.123 1.00 61.25 C ATOM 1014 OG SER A 64 2.976 -13.552 2.397 1.00 15.42 O ATOM 0 H SER A 64 0.483 -13.794 1.876 1.00 20.13 H new ATOM 0 HA SER A 64 2.247 -15.998 1.466 1.00 42.43 H new ATOM 0 HB2 SER A 64 1.784 -14.253 3.925 1.00 61.25 H new ATOM 0 HB3 SER A 64 3.210 -15.215 3.591 1.00 61.25 H new ATOM 0 HG SER A 64 2.282 -12.884 2.217 1.00 15.42 H new ATOM 1020 N PRO A 65 1.583 -17.810 3.110 1.00 23.31 N ATOM 1021 CA PRO A 65 1.115 -18.905 3.957 1.00 72.05 C ATOM 1022 C PRO A 65 1.218 -18.537 5.433 1.00 51.24 C ATOM 1023 O PRO A 65 2.310 -18.519 6.007 1.00 0.21 O ATOM 1024 CB PRO A 65 2.057 -20.070 3.617 1.00 53.02 C ATOM 1025 CG PRO A 65 2.750 -19.663 2.356 1.00 73.55 C ATOM 1026 CD PRO A 65 2.810 -18.164 2.386 1.00 33.13 C ATOM 0 HA PRO A 65 0.067 -19.148 3.782 1.00 72.05 H new ATOM 0 HB2 PRO A 65 2.773 -20.244 4.420 1.00 53.02 H new ATOM 0 HB3 PRO A 65 1.501 -20.997 3.479 1.00 53.02 H new ATOM 0 HG2 PRO A 65 3.750 -20.093 2.304 1.00 73.55 H new ATOM 0 HG3 PRO A 65 2.205 -20.015 1.480 1.00 73.55 H new ATOM 0 HD2 PRO A 65 3.702 -17.804 2.899 1.00 33.13 H new ATOM 0 HD3 PRO A 65 2.826 -17.739 1.383 1.00 33.13 H new ATOM 1034 N VAL A 66 0.084 -18.213 6.031 1.00 73.34 N ATOM 1035 CA VAL A 66 0.033 -17.799 7.423 1.00 4.33 C ATOM 1036 C VAL A 66 -1.086 -18.534 8.150 1.00 73.52 C ATOM 1037 O VAL A 66 -2.048 -18.980 7.522 1.00 4.04 O ATOM 1038 CB VAL A 66 -0.178 -16.271 7.564 1.00 54.44 C ATOM 1039 CG1 VAL A 66 1.046 -15.510 7.075 1.00 1.41 C ATOM 1040 CG2 VAL A 66 -1.418 -15.830 6.800 1.00 61.11 C ATOM 0 H VAL A 66 -0.824 -18.229 5.567 1.00 73.34 H new ATOM 0 HA VAL A 66 0.994 -18.051 7.871 1.00 4.33 H new ATOM 0 HB VAL A 66 -0.323 -16.044 8.620 1.00 54.44 H new ATOM 0 HG11 VAL A 66 0.876 -14.439 7.183 1.00 1.41 H new ATOM 0 HG12 VAL A 66 1.915 -15.801 7.665 1.00 1.41 H new ATOM 0 HG13 VAL A 66 1.225 -15.745 6.026 1.00 1.41 H new ATOM 0 HG21 VAL A 66 -1.550 -14.754 6.911 1.00 61.11 H new ATOM 0 HG22 VAL A 66 -1.301 -16.075 5.744 1.00 61.11 H new ATOM 0 HG23 VAL A 66 -2.292 -16.345 7.197 1.00 61.11 H new ATOM 1050 N PRO A 67 -0.965 -18.690 9.475 1.00 0.41 N ATOM 1051 CA PRO A 67 -1.988 -19.349 10.289 1.00 4.01 C ATOM 1052 C PRO A 67 -3.318 -18.608 10.236 1.00 22.23 C ATOM 1053 O PRO A 67 -3.427 -17.474 10.708 1.00 44.43 O ATOM 1054 CB PRO A 67 -1.412 -19.306 11.709 1.00 3.45 C ATOM 1055 CG PRO A 67 0.049 -19.076 11.529 1.00 22.51 C ATOM 1056 CD PRO A 67 0.180 -18.246 10.286 1.00 64.11 C ATOM 0 HA PRO A 67 -2.199 -20.359 9.938 1.00 4.01 H new ATOM 0 HB2 PRO A 67 -1.867 -18.508 12.295 1.00 3.45 H new ATOM 0 HB3 PRO A 67 -1.602 -20.239 12.240 1.00 3.45 H new ATOM 0 HG2 PRO A 67 0.473 -18.560 12.391 1.00 22.51 H new ATOM 0 HG3 PRO A 67 0.584 -20.020 11.427 1.00 22.51 H new ATOM 0 HD2 PRO A 67 0.131 -17.179 10.505 1.00 64.11 H new ATOM 0 HD3 PRO A 67 1.128 -18.424 9.779 1.00 64.11 H new ATOM 1064 N GLY A 68 -4.317 -19.243 9.647 1.00 23.40 N ATOM 1065 CA GLY A 68 -5.627 -18.637 9.547 1.00 75.13 C ATOM 1066 C GLY A 68 -5.816 -17.906 8.236 1.00 42.01 C ATOM 1067 O GLY A 68 -6.526 -18.394 7.352 1.00 70.30 O ATOM 0 H GLY A 68 -4.244 -20.173 9.234 1.00 23.40 H new ATOM 0 HA2 GLY A 68 -6.391 -19.408 9.645 1.00 75.13 H new ATOM 0 HA3 GLY A 68 -5.768 -17.941 10.374 1.00 75.13 H new ATOM 1071 N ALA A 69 -5.161 -16.746 8.119 1.00 31.45 N ATOM 1072 CA ALA A 69 -5.235 -15.892 6.927 1.00 21.30 C ATOM 1073 C ALA A 69 -6.606 -15.223 6.800 1.00 11.12 C ATOM 1074 O ALA A 69 -7.617 -15.764 7.254 1.00 1.31 O ATOM 1075 CB ALA A 69 -4.895 -16.677 5.664 1.00 60.43 C ATOM 0 H ALA A 69 -4.561 -16.370 8.853 1.00 31.45 H new ATOM 0 HA ALA A 69 -4.491 -15.104 7.045 1.00 21.30 H new ATOM 0 HB1 ALA A 69 -4.958 -16.018 4.798 1.00 60.43 H new ATOM 0 HB2 ALA A 69 -3.883 -17.075 5.744 1.00 60.43 H new ATOM 0 HB3 ALA A 69 -5.600 -17.500 5.546 1.00 60.43 H new ATOM 1081 N PRO A 70 -6.653 -14.013 6.214 1.00 40.44 N ATOM 1082 CA PRO A 70 -7.912 -13.300 5.975 1.00 2.23 C ATOM 1083 C PRO A 70 -8.847 -14.110 5.085 1.00 65.43 C ATOM 1084 O PRO A 70 -8.514 -14.422 3.943 1.00 41.43 O ATOM 1085 CB PRO A 70 -7.480 -12.013 5.262 1.00 25.22 C ATOM 1086 CG PRO A 70 -6.034 -11.854 5.586 1.00 25.23 C ATOM 1087 CD PRO A 70 -5.488 -13.246 5.739 1.00 31.01 C ATOM 0 HA PRO A 70 -8.461 -13.114 6.898 1.00 2.23 H new ATOM 0 HB2 PRO A 70 -7.637 -12.087 4.186 1.00 25.22 H new ATOM 0 HB3 PRO A 70 -8.058 -11.157 5.610 1.00 25.22 H new ATOM 0 HG2 PRO A 70 -5.514 -11.316 4.794 1.00 25.23 H new ATOM 0 HG3 PRO A 70 -5.900 -11.280 6.503 1.00 25.23 H new ATOM 0 HD2 PRO A 70 -5.107 -13.635 4.795 1.00 31.01 H new ATOM 0 HD3 PRO A 70 -4.665 -13.280 6.453 1.00 31.01 H new ATOM 1095 N LYS A 71 -10.010 -14.458 5.612 1.00 51.01 N ATOM 1096 CA LYS A 71 -10.942 -15.310 4.894 1.00 53.02 C ATOM 1097 C LYS A 71 -11.861 -14.480 4.006 1.00 73.31 C ATOM 1098 O LYS A 71 -12.890 -13.976 4.460 1.00 1.33 O ATOM 1099 CB LYS A 71 -11.758 -16.144 5.885 1.00 43.23 C ATOM 1100 CG LYS A 71 -12.607 -17.224 5.236 1.00 30.24 C ATOM 1101 CD LYS A 71 -13.268 -18.111 6.284 1.00 4.01 C ATOM 1102 CE LYS A 71 -12.237 -18.783 7.180 1.00 10.32 C ATOM 1103 NZ LYS A 71 -11.349 -19.701 6.420 1.00 40.13 N ATOM 0 H LYS A 71 -10.330 -14.163 6.534 1.00 51.01 H new ATOM 0 HA LYS A 71 -10.374 -15.983 4.252 1.00 53.02 H new ATOM 0 HB2 LYS A 71 -11.077 -16.611 6.597 1.00 43.23 H new ATOM 0 HB3 LYS A 71 -12.408 -15.479 6.454 1.00 43.23 H new ATOM 0 HG2 LYS A 71 -13.372 -16.762 4.612 1.00 30.24 H new ATOM 0 HG3 LYS A 71 -11.985 -17.833 4.580 1.00 30.24 H new ATOM 0 HD2 LYS A 71 -13.945 -17.513 6.893 1.00 4.01 H new ATOM 0 HD3 LYS A 71 -13.872 -18.872 5.789 1.00 4.01 H new ATOM 0 HE2 LYS A 71 -11.633 -18.021 7.672 1.00 10.32 H new ATOM 0 HE3 LYS A 71 -12.748 -19.341 7.965 1.00 10.32 H new ATOM 0 HZ1 LYS A 71 -10.754 -20.237 7.084 1.00 40.13 H new ATOM 0 HZ2 LYS A 71 -11.928 -20.361 5.862 1.00 40.13 H new ATOM 0 HZ3 LYS A 71 -10.743 -19.148 5.781 1.00 40.13 H new ATOM 1117 N ALA A 72 -11.452 -14.325 2.747 1.00 1.22 N ATOM 1118 CA ALA A 72 -12.215 -13.578 1.748 1.00 70.53 C ATOM 1119 C ALA A 72 -12.524 -12.155 2.216 1.00 43.31 C ATOM 1120 O ALA A 72 -13.625 -11.869 2.690 1.00 65.41 O ATOM 1121 CB ALA A 72 -13.495 -14.319 1.383 1.00 15.23 C ATOM 0 H ALA A 72 -10.580 -14.715 2.390 1.00 1.22 H new ATOM 0 HA ALA A 72 -11.595 -13.498 0.855 1.00 70.53 H new ATOM 0 HB1 ALA A 72 -14.048 -13.746 0.638 1.00 15.23 H new ATOM 0 HB2 ALA A 72 -13.245 -15.298 0.975 1.00 15.23 H new ATOM 0 HB3 ALA A 72 -14.110 -14.444 2.274 1.00 15.23 H new ATOM 1127 N PRO A 73 -11.543 -11.246 2.111 1.00 41.33 N ATOM 1128 CA PRO A 73 -11.713 -9.853 2.516 1.00 11.14 C ATOM 1129 C PRO A 73 -12.608 -9.083 1.546 1.00 11.40 C ATOM 1130 O PRO A 73 -12.160 -8.658 0.480 1.00 4.23 O ATOM 1131 CB PRO A 73 -10.282 -9.283 2.504 1.00 5.10 C ATOM 1132 CG PRO A 73 -9.379 -10.462 2.322 1.00 11.24 C ATOM 1133 CD PRO A 73 -10.190 -11.502 1.609 1.00 21.31 C ATOM 0 HA PRO A 73 -12.199 -9.769 3.488 1.00 11.14 H new ATOM 0 HB2 PRO A 73 -10.154 -8.563 1.696 1.00 5.10 H new ATOM 0 HB3 PRO A 73 -10.061 -8.760 3.434 1.00 5.10 H new ATOM 0 HG2 PRO A 73 -8.497 -10.191 1.742 1.00 11.24 H new ATOM 0 HG3 PRO A 73 -9.026 -10.835 3.284 1.00 11.24 H new ATOM 0 HD2 PRO A 73 -10.131 -11.391 0.526 1.00 21.31 H new ATOM 0 HD3 PRO A 73 -9.854 -12.512 1.845 1.00 21.31 H new ATOM 1141 N ALA A 74 -13.876 -8.942 1.907 1.00 24.22 N ATOM 1142 CA ALA A 74 -14.845 -8.216 1.095 1.00 12.23 C ATOM 1143 C ALA A 74 -16.096 -7.934 1.911 1.00 50.31 C ATOM 1144 O ALA A 74 -16.372 -8.630 2.888 1.00 62.24 O ATOM 1145 CB ALA A 74 -15.197 -9.006 -0.162 1.00 41.32 C ATOM 0 H ALA A 74 -14.262 -9.327 2.769 1.00 24.22 H new ATOM 0 HA ALA A 74 -14.401 -7.269 0.787 1.00 12.23 H new ATOM 0 HB1 ALA A 74 -15.921 -8.446 -0.753 1.00 41.32 H new ATOM 0 HB2 ALA A 74 -14.296 -9.170 -0.753 1.00 41.32 H new ATOM 0 HB3 ALA A 74 -15.626 -9.968 0.121 1.00 41.32 H new ATOM 1151 N ALA A 75 -16.849 -6.920 1.514 1.00 63.15 N ATOM 1152 CA ALA A 75 -18.053 -6.541 2.233 1.00 73.31 C ATOM 1153 C ALA A 75 -19.280 -7.167 1.589 1.00 15.11 C ATOM 1154 O ALA A 75 -19.909 -6.510 0.735 1.00 38.90 O ATOM 1155 CB ALA A 75 -18.184 -5.026 2.278 1.00 14.22 C ATOM 1156 OXT ALA A 75 -19.600 -8.326 1.922 1.00 38.90 O ATOM 0 H ALA A 75 -16.646 -6.345 0.697 1.00 63.15 H new ATOM 0 HA ALA A 75 -17.979 -6.913 3.255 1.00 73.31 H new ATOM 0 HB1 ALA A 75 -19.090 -4.755 2.820 1.00 14.22 H new ATOM 0 HB2 ALA A 75 -17.318 -4.601 2.785 1.00 14.22 H new ATOM 0 HB3 ALA A 75 -18.238 -4.635 1.262 1.00 14.22 H new TER 1162 ALA A 75