USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 49 CYS SG : rot -118:sc= -0.532! USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.781 K(o=-1.3,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.15 (180deg=0.63) USER MOD Single : A 3 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0092) USER MOD Single : A 4 HIS : no HD1:sc=-0.000514 X(o=-0.00051,f=-0.00051) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) 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=-0.0002) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.24) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= -0.0179 (180deg=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -164:sc= 0 (180deg=-0.109) USER MOD Single : A 25 CYS SG : rot 33:sc= 0.0997 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-0.78) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= -0.835 (180deg=-3.47!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 38 HIS : no HE2:sc= 0.0195 X(o=0.02,f=-0.16) USER MOD Single : A 39 THR OG1 : rot -84:sc= 0.723 USER MOD Single : A 45 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.0013) USER MOD Single : A 46 CYS SG : rot -146:sc= -1.94 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 52 SER OG : rot 23:sc= 0.0512 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0251 K(o=-0.025,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -0.141 (180deg=-0.704) USER MOD Single : A 58 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 160:sc= 0.00339 USER MOD Single : A 70 LYS NZ :NH3+ 136:sc= -1.18 (180deg=-3.56!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.162 62.192 54.661 1.00 10.24 N ATOM 2 CA MET A 1 3.820 61.575 54.593 1.00 54.11 C ATOM 3 C MET A 1 3.196 61.857 53.214 1.00 44.34 C ATOM 4 O MET A 1 2.686 62.960 52.972 1.00 42.42 O ATOM 5 CB MET A 1 2.910 62.102 55.746 1.00 0.40 C ATOM 6 CG MET A 1 3.357 61.663 57.159 1.00 33.52 C ATOM 7 SD MET A 1 5.008 62.259 57.613 1.00 24.41 S ATOM 8 CE MET A 1 5.205 61.574 59.268 1.00 11.31 C ATOM 0 H1 MET A 1 5.471 62.243 55.653 1.00 10.24 H new ATOM 0 H2 MET A 1 5.837 61.617 54.117 1.00 10.24 H new ATOM 0 H3 MET A 1 5.124 63.151 54.261 1.00 10.24 H new ATOM 0 HA MET A 1 3.913 60.496 54.720 1.00 54.11 H new ATOM 0 HB2 MET A 1 2.887 63.191 55.707 1.00 0.40 H new ATOM 0 HB3 MET A 1 1.891 61.756 55.576 1.00 0.40 H new ATOM 0 HG2 MET A 1 2.634 62.027 57.889 1.00 33.52 H new ATOM 0 HG3 MET A 1 3.345 60.574 57.214 1.00 33.52 H new ATOM 0 HE1 MET A 1 6.177 61.862 59.668 1.00 11.31 H new ATOM 0 HE2 MET A 1 4.418 61.958 59.917 1.00 11.31 H new ATOM 0 HE3 MET A 1 5.140 60.487 59.222 1.00 11.31 H new ATOM 20 N GLY A 2 3.277 60.863 52.304 1.00 10.43 N ATOM 21 CA GLY A 2 2.768 60.996 50.938 1.00 34.41 C ATOM 22 C GLY A 2 2.306 59.657 50.386 1.00 22.01 C ATOM 23 O GLY A 2 3.003 59.035 49.573 1.00 42.32 O ATOM 0 H GLY A 2 3.696 59.954 52.502 1.00 10.43 H new ATOM 0 HA2 GLY A 2 1.938 61.703 50.924 1.00 34.41 H new ATOM 0 HA3 GLY A 2 3.547 61.407 50.296 1.00 34.41 H new ATOM 27 N HIS A 3 1.129 59.206 50.848 1.00 1.03 N ATOM 28 CA HIS A 3 0.546 57.902 50.466 1.00 22.12 C ATOM 29 C HIS A 3 -0.324 58.069 49.204 1.00 15.32 C ATOM 30 O HIS A 3 -0.853 59.162 48.954 1.00 40.00 O ATOM 31 CB HIS A 3 -0.327 57.341 51.615 1.00 73.34 C ATOM 32 CG HIS A 3 0.366 57.203 52.944 1.00 1.23 C ATOM 33 ND1 HIS A 3 0.561 55.990 53.569 1.00 72.01 N ATOM 34 CD2 HIS A 3 0.857 58.136 53.794 1.00 0.03 C ATOM 35 CE1 HIS A 3 1.136 56.189 54.737 1.00 54.14 C ATOM 36 NE2 HIS A 3 1.326 57.482 54.893 1.00 71.23 N ATOM 0 H HIS A 3 0.550 59.735 51.500 1.00 1.03 H new ATOM 0 HA HIS A 3 1.360 57.206 50.264 1.00 22.12 H new ATOM 0 HB2 HIS A 3 -1.193 57.991 51.742 1.00 73.34 H new ATOM 0 HB3 HIS A 3 -0.704 56.362 51.318 1.00 73.34 H new ATOM 0 HD2 HIS A 3 0.874 59.203 53.630 1.00 0.03 H new ATOM 0 HE1 HIS A 3 1.406 55.421 55.447 1.00 54.14 H new ATOM 0 HE2 HIS A 3 1.755 57.923 55.706 1.00 71.23 H new ATOM 45 N HIS A 4 -0.469 56.983 48.415 1.00 31.25 N ATOM 46 CA HIS A 4 -1.292 56.963 47.186 1.00 2.45 C ATOM 47 C HIS A 4 -1.932 55.578 47.012 1.00 35.33 C ATOM 48 O HIS A 4 -3.158 55.460 47.071 1.00 11.45 O ATOM 49 CB HIS A 4 -0.456 57.345 45.933 1.00 61.24 C ATOM 50 CG HIS A 4 -0.045 58.802 45.901 1.00 32.35 C ATOM 51 ND1 HIS A 4 1.166 59.260 46.388 1.00 71.14 N ATOM 52 CD2 HIS A 4 -0.714 59.907 45.492 1.00 43.31 C ATOM 53 CE1 HIS A 4 1.214 60.571 46.280 1.00 40.41 C ATOM 54 NE2 HIS A 4 0.088 60.989 45.741 1.00 63.42 N ATOM 0 H HIS A 4 -0.016 56.091 48.613 1.00 31.25 H new ATOM 0 HA HIS A 4 -2.079 57.710 47.289 1.00 2.45 H new ATOM 0 HB2 HIS A 4 0.438 56.723 45.900 1.00 61.24 H new ATOM 0 HB3 HIS A 4 -1.035 57.119 45.037 1.00 61.24 H new ATOM 0 HD2 HIS A 4 -1.699 59.930 45.050 1.00 43.31 H new ATOM 0 HE1 HIS A 4 2.039 61.199 46.583 1.00 40.41 H new ATOM 0 HE2 HIS A 4 -0.149 61.961 45.541 1.00 63.42 H new ATOM 63 N HIS A 5 -1.075 54.539 46.844 1.00 73.11 N ATOM 64 CA HIS A 5 -1.500 53.153 46.521 1.00 32.01 C ATOM 65 C HIS A 5 -2.264 53.117 45.181 1.00 72.42 C ATOM 66 O HIS A 5 -3.477 53.376 45.136 1.00 74.22 O ATOM 67 CB HIS A 5 -2.358 52.497 47.652 1.00 74.44 C ATOM 68 CG HIS A 5 -1.660 52.319 48.971 1.00 32.20 C ATOM 69 ND1 HIS A 5 -1.279 51.088 49.458 1.00 4.01 N ATOM 70 CD2 HIS A 5 -1.329 53.212 49.926 1.00 5.42 C ATOM 71 CE1 HIS A 5 -0.751 51.234 50.649 1.00 10.52 C ATOM 72 NE2 HIS A 5 -0.771 52.513 50.957 1.00 61.32 N ATOM 0 H HIS A 5 -0.064 54.640 46.929 1.00 73.11 H new ATOM 0 HA HIS A 5 -0.588 52.563 46.434 1.00 32.01 H new ATOM 0 HB2 HIS A 5 -3.247 53.107 47.810 1.00 74.44 H new ATOM 0 HB3 HIS A 5 -2.699 51.521 47.306 1.00 74.44 H new ATOM 0 HD2 HIS A 5 -1.478 54.281 49.883 1.00 5.42 H new ATOM 0 HE1 HIS A 5 -0.365 50.440 51.271 1.00 10.52 H new ATOM 0 HE2 HIS A 5 -0.425 52.917 51.827 1.00 61.32 H new ATOM 81 N HIS A 6 -1.534 52.814 44.085 1.00 13.43 N ATOM 82 CA HIS A 6 -2.115 52.716 42.736 1.00 22.14 C ATOM 83 C HIS A 6 -3.179 51.601 42.708 1.00 42.21 C ATOM 84 O HIS A 6 -2.954 50.509 43.248 1.00 30.40 O ATOM 85 CB HIS A 6 -1.016 52.444 41.671 1.00 1.41 C ATOM 86 CG HIS A 6 -1.521 52.445 40.249 1.00 14.14 C ATOM 87 ND1 HIS A 6 -1.598 53.589 39.483 1.00 34.21 N ATOM 88 CD2 HIS A 6 -1.994 51.445 39.462 1.00 14.13 C ATOM 89 CE1 HIS A 6 -2.094 53.292 38.301 1.00 41.04 C ATOM 90 NE2 HIS A 6 -2.342 51.999 38.263 1.00 64.25 N ATOM 0 H HIS A 6 -0.531 52.632 44.114 1.00 13.43 H new ATOM 0 HA HIS A 6 -2.586 53.668 42.492 1.00 22.14 H new ATOM 0 HB2 HIS A 6 -0.236 53.199 41.769 1.00 1.41 H new ATOM 0 HB3 HIS A 6 -0.554 51.479 41.880 1.00 1.41 H new ATOM 0 HD2 HIS A 6 -2.079 50.403 39.734 1.00 14.13 H new ATOM 0 HE1 HIS A 6 -2.269 53.991 37.497 1.00 41.04 H new ATOM 0 HE2 HIS A 6 -2.731 51.493 37.467 1.00 64.25 H new ATOM 99 N HIS A 7 -4.316 51.902 42.063 1.00 32.23 N ATOM 100 CA HIS A 7 -5.483 51.010 42.002 1.00 54.44 C ATOM 101 C HIS A 7 -5.174 49.794 41.118 1.00 1.34 C ATOM 102 O HIS A 7 -5.242 49.866 39.880 1.00 1.01 O ATOM 103 CB HIS A 7 -6.732 51.793 41.501 1.00 44.21 C ATOM 104 CG HIS A 7 -7.108 52.953 42.383 1.00 54.12 C ATOM 105 ND1 HIS A 7 -7.628 54.132 41.898 1.00 23.43 N ATOM 106 CD2 HIS A 7 -7.045 53.101 43.727 1.00 21.11 C ATOM 107 CE1 HIS A 7 -7.864 54.950 42.903 1.00 51.24 C ATOM 108 NE2 HIS A 7 -7.520 54.349 44.020 1.00 20.34 N ATOM 0 H HIS A 7 -4.452 52.781 41.564 1.00 32.23 H new ATOM 0 HA HIS A 7 -5.708 50.639 43.002 1.00 54.44 H new ATOM 0 HB2 HIS A 7 -6.540 52.161 40.493 1.00 44.21 H new ATOM 0 HB3 HIS A 7 -7.578 51.108 41.435 1.00 44.21 H new ATOM 0 HD2 HIS A 7 -6.686 52.369 44.436 1.00 21.11 H new ATOM 0 HE1 HIS A 7 -8.272 55.947 42.823 1.00 51.24 H new ATOM 0 HE2 HIS A 7 -7.595 54.749 44.955 1.00 20.34 H new ATOM 117 N HIS A 8 -4.773 48.699 41.792 1.00 55.10 N ATOM 118 CA HIS A 8 -4.404 47.427 41.155 1.00 3.35 C ATOM 119 C HIS A 8 -5.630 46.797 40.490 1.00 23.21 C ATOM 120 O HIS A 8 -6.618 46.477 41.162 1.00 61.13 O ATOM 121 CB HIS A 8 -3.771 46.447 42.181 1.00 13.22 C ATOM 122 CG HIS A 8 -2.526 46.987 42.826 1.00 4.13 C ATOM 123 ND1 HIS A 8 -2.521 47.565 44.072 1.00 65.31 N ATOM 124 CD2 HIS A 8 -1.249 47.050 42.380 1.00 55.53 C ATOM 125 CE1 HIS A 8 -1.305 47.959 44.368 1.00 20.21 C ATOM 126 NE2 HIS A 8 -0.513 47.658 43.362 1.00 61.52 N ATOM 0 H HIS A 8 -4.696 48.676 42.809 1.00 55.10 H new ATOM 0 HA HIS A 8 -3.656 47.632 40.390 1.00 3.35 H new ATOM 0 HB2 HIS A 8 -4.504 46.219 42.955 1.00 13.22 H new ATOM 0 HB3 HIS A 8 -3.535 45.509 41.679 1.00 13.22 H new ATOM 0 HD2 HIS A 8 -0.881 46.689 41.431 1.00 55.53 H new ATOM 0 HE1 HIS A 8 -1.005 48.448 45.283 1.00 20.21 H new ATOM 0 HE2 HIS A 8 0.488 47.847 43.320 1.00 61.52 H new ATOM 135 N SER A 9 -5.554 46.648 39.173 1.00 50.22 N ATOM 136 CA SER A 9 -6.657 46.147 38.348 1.00 61.44 C ATOM 137 C SER A 9 -6.157 45.035 37.410 1.00 15.05 C ATOM 138 O SER A 9 -5.006 45.066 36.935 1.00 75.34 O ATOM 139 CB SER A 9 -7.277 47.333 37.576 1.00 15.00 C ATOM 140 OG SER A 9 -6.276 48.199 37.073 1.00 60.54 O ATOM 0 H SER A 9 -4.716 46.873 38.637 1.00 50.22 H new ATOM 0 HA SER A 9 -7.432 45.704 38.974 1.00 61.44 H new ATOM 0 HB2 SER A 9 -7.883 46.956 36.752 1.00 15.00 H new ATOM 0 HB3 SER A 9 -7.945 47.889 38.234 1.00 15.00 H new ATOM 0 HG SER A 9 -6.697 48.939 36.588 1.00 60.54 H new ATOM 146 N HIS A 10 -7.041 44.059 37.165 1.00 43.44 N ATOM 147 CA HIS A 10 -6.741 42.841 36.404 1.00 44.32 C ATOM 148 C HIS A 10 -8.040 42.362 35.724 1.00 31.10 C ATOM 149 O HIS A 10 -9.030 42.052 36.403 1.00 42.21 O ATOM 150 CB HIS A 10 -6.144 41.745 37.345 1.00 54.13 C ATOM 151 CG HIS A 10 -7.082 41.280 38.442 1.00 52.11 C ATOM 152 ND1 HIS A 10 -7.817 40.114 38.352 1.00 0.23 N ATOM 153 CD2 HIS A 10 -7.435 41.846 39.622 1.00 23.03 C ATOM 154 CE1 HIS A 10 -8.576 39.992 39.419 1.00 2.41 C ATOM 155 NE2 HIS A 10 -8.362 41.025 40.203 1.00 13.54 N ATOM 0 H HIS A 10 -8.005 44.096 37.498 1.00 43.44 H new ATOM 0 HA HIS A 10 -5.993 43.045 35.638 1.00 44.32 H new ATOM 0 HB2 HIS A 10 -5.855 40.884 36.742 1.00 54.13 H new ATOM 0 HB3 HIS A 10 -5.234 42.133 37.803 1.00 54.13 H new ATOM 0 HD2 HIS A 10 -7.055 42.772 40.028 1.00 23.03 H new ATOM 0 HE1 HIS A 10 -9.260 39.180 39.618 1.00 2.41 H new ATOM 0 HE2 HIS A 10 -8.815 41.188 41.102 1.00 13.54 H new ATOM 164 N MET A 11 -8.054 42.353 34.381 1.00 44.11 N ATOM 165 CA MET A 11 -9.257 42.004 33.597 1.00 74.25 C ATOM 166 C MET A 11 -8.885 41.232 32.310 1.00 61.34 C ATOM 167 O MET A 11 -8.752 41.816 31.225 1.00 43.40 O ATOM 168 CB MET A 11 -10.114 43.282 33.318 1.00 3.23 C ATOM 169 CG MET A 11 -9.343 44.486 32.756 1.00 40.42 C ATOM 170 SD MET A 11 -10.414 45.906 32.429 1.00 5.15 S ATOM 171 CE MET A 11 -9.222 47.128 31.878 1.00 43.13 C ATOM 0 H MET A 11 -7.241 42.585 33.810 1.00 44.11 H new ATOM 0 HA MET A 11 -9.877 41.326 34.184 1.00 74.25 H new ATOM 0 HB2 MET A 11 -10.906 43.021 32.617 1.00 3.23 H new ATOM 0 HB3 MET A 11 -10.597 43.584 34.247 1.00 3.23 H new ATOM 0 HG2 MET A 11 -8.566 44.777 33.463 1.00 40.42 H new ATOM 0 HG3 MET A 11 -8.842 44.193 31.833 1.00 40.42 H new ATOM 0 HE1 MET A 11 -9.738 48.058 31.640 1.00 43.13 H new ATOM 0 HE2 MET A 11 -8.494 47.309 32.669 1.00 43.13 H new ATOM 0 HE3 MET A 11 -8.708 46.761 30.990 1.00 43.13 H new ATOM 181 N PRO A 12 -8.662 39.882 32.429 1.00 21.44 N ATOM 182 CA PRO A 12 -8.397 39.010 31.267 1.00 62.31 C ATOM 183 C PRO A 12 -9.702 38.606 30.544 1.00 31.31 C ATOM 184 O PRO A 12 -10.713 38.284 31.189 1.00 52.22 O ATOM 185 CB PRO A 12 -7.697 37.786 31.912 1.00 74.23 C ATOM 186 CG PRO A 12 -8.300 37.676 33.284 1.00 51.54 C ATOM 187 CD PRO A 12 -8.639 39.101 33.711 1.00 42.43 C ATOM 0 HA PRO A 12 -7.797 39.493 30.496 1.00 62.31 H new ATOM 0 HB2 PRO A 12 -7.869 36.880 31.331 1.00 74.23 H new ATOM 0 HB3 PRO A 12 -6.618 37.930 31.965 1.00 74.23 H new ATOM 0 HG2 PRO A 12 -9.193 37.051 33.269 1.00 51.54 H new ATOM 0 HG3 PRO A 12 -7.600 37.216 33.982 1.00 51.54 H new ATOM 0 HD2 PRO A 12 -9.602 39.144 34.220 1.00 42.43 H new ATOM 0 HD3 PRO A 12 -7.895 39.496 34.403 1.00 42.43 H new ATOM 195 N ASN A 13 -9.682 38.651 29.205 1.00 53.24 N ATOM 196 CA ASN A 13 -10.784 38.132 28.382 1.00 72.22 C ATOM 197 C ASN A 13 -10.606 36.612 28.251 1.00 20.15 C ATOM 198 O ASN A 13 -9.788 36.141 27.444 1.00 74.05 O ATOM 199 CB ASN A 13 -10.830 38.828 26.986 1.00 34.41 C ATOM 200 CG ASN A 13 -11.331 40.287 27.004 1.00 12.14 C ATOM 201 OD1 ASN A 13 -11.981 40.739 26.057 1.00 54.34 O ATOM 202 ND2 ASN A 13 -11.015 41.049 28.049 1.00 74.40 N ATOM 0 H ASN A 13 -8.910 39.044 28.666 1.00 53.24 H new ATOM 0 HA ASN A 13 -11.738 38.350 28.861 1.00 72.22 H new ATOM 0 HB2 ASN A 13 -9.830 38.808 26.553 1.00 34.41 H new ATOM 0 HB3 ASN A 13 -11.474 38.246 26.327 1.00 34.41 H new ATOM 0 HD21 ASN A 13 -11.311 42.025 28.077 1.00 74.40 H new ATOM 0 HD22 ASN A 13 -10.477 40.657 28.822 1.00 74.40 H new ATOM 209 N GLY A 14 -11.334 35.871 29.108 1.00 53.11 N ATOM 210 CA GLY A 14 -11.293 34.414 29.136 1.00 25.34 C ATOM 211 C GLY A 14 -11.868 33.807 27.867 1.00 70.10 C ATOM 212 O GLY A 14 -13.090 33.689 27.732 1.00 3.43 O ATOM 0 H GLY A 14 -11.966 36.276 29.798 1.00 53.11 H new ATOM 0 HA2 GLY A 14 -10.263 34.082 29.263 1.00 25.34 H new ATOM 0 HA3 GLY A 14 -11.853 34.051 29.998 1.00 25.34 H new ATOM 216 N LYS A 15 -10.984 33.459 26.919 1.00 60.15 N ATOM 217 CA LYS A 15 -11.363 32.925 25.604 1.00 4.54 C ATOM 218 C LYS A 15 -10.583 31.633 25.322 1.00 43.20 C ATOM 219 O LYS A 15 -9.359 31.593 25.488 1.00 55.22 O ATOM 220 CB LYS A 15 -11.107 33.990 24.496 1.00 52.25 C ATOM 221 CG LYS A 15 -11.979 35.261 24.637 1.00 54.01 C ATOM 222 CD LYS A 15 -11.843 36.248 23.453 1.00 63.20 C ATOM 223 CE LYS A 15 -12.737 37.495 23.618 1.00 2.15 C ATOM 224 NZ LYS A 15 -14.184 37.146 23.745 1.00 63.43 N ATOM 0 H LYS A 15 -9.975 33.542 27.047 1.00 60.15 H new ATOM 0 HA LYS A 15 -12.427 32.690 25.604 1.00 4.54 H new ATOM 0 HB2 LYS A 15 -10.056 34.278 24.518 1.00 52.25 H new ATOM 0 HB3 LYS A 15 -11.294 33.539 23.521 1.00 52.25 H new ATOM 0 HG2 LYS A 15 -13.024 34.965 24.732 1.00 54.01 H new ATOM 0 HG3 LYS A 15 -11.708 35.775 25.559 1.00 54.01 H new ATOM 0 HD2 LYS A 15 -10.803 36.560 23.362 1.00 63.20 H new ATOM 0 HD3 LYS A 15 -12.105 35.737 22.526 1.00 63.20 H new ATOM 0 HE2 LYS A 15 -12.421 38.051 24.501 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -12.599 38.154 22.761 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -14.756 38.014 23.700 1.00 63.43 H new ATOM 0 HZ2 LYS A 15 -14.457 36.511 22.968 1.00 63.43 H new ATOM 0 HZ3 LYS A 15 -14.348 36.670 24.655 1.00 63.43 H new ATOM 238 N LEU A 16 -11.324 30.583 24.943 1.00 14.01 N ATOM 239 CA LEU A 16 -10.786 29.265 24.565 1.00 14.30 C ATOM 240 C LEU A 16 -11.601 28.716 23.381 1.00 30.12 C ATOM 241 O LEU A 16 -12.783 29.068 23.228 1.00 11.12 O ATOM 242 CB LEU A 16 -10.847 28.260 25.762 1.00 72.22 C ATOM 243 CG LEU A 16 -12.279 27.779 26.248 1.00 42.31 C ATOM 244 CD1 LEU A 16 -12.172 26.522 27.149 1.00 65.12 C ATOM 245 CD2 LEU A 16 -13.053 28.906 26.983 1.00 53.04 C ATOM 0 H LEU A 16 -12.342 30.626 24.889 1.00 14.01 H new ATOM 0 HA LEU A 16 -9.740 29.382 24.282 1.00 14.30 H new ATOM 0 HB2 LEU A 16 -10.271 27.376 25.488 1.00 72.22 H new ATOM 0 HB3 LEU A 16 -10.341 28.719 26.611 1.00 72.22 H new ATOM 0 HG LEU A 16 -12.844 27.518 25.353 1.00 42.31 H new ATOM 0 HD11 LEU A 16 -13.169 26.216 27.466 1.00 65.12 H new ATOM 0 HD12 LEU A 16 -11.705 25.712 26.589 1.00 65.12 H new ATOM 0 HD13 LEU A 16 -11.567 26.753 28.026 1.00 65.12 H new ATOM 0 HD21 LEU A 16 -14.027 28.533 27.298 1.00 53.04 H new ATOM 0 HD22 LEU A 16 -12.487 29.225 27.858 1.00 53.04 H new ATOM 0 HD23 LEU A 16 -13.189 29.753 26.310 1.00 53.04 H new ATOM 257 N LYS A 17 -10.989 27.854 22.544 1.00 61.42 N ATOM 258 CA LYS A 17 -11.675 27.214 21.396 1.00 44.00 C ATOM 259 C LYS A 17 -11.620 25.688 21.548 1.00 11.21 C ATOM 260 O LYS A 17 -10.640 25.150 22.086 1.00 51.31 O ATOM 261 CB LYS A 17 -11.037 27.633 20.043 1.00 3.31 C ATOM 262 CG LYS A 17 -10.991 29.157 19.799 1.00 33.33 C ATOM 263 CD LYS A 17 -10.644 29.534 18.339 1.00 62.04 C ATOM 264 CE LYS A 17 -9.309 28.940 17.856 1.00 62.43 C ATOM 265 NZ LYS A 17 -9.058 29.241 16.416 1.00 1.35 N ATOM 0 H LYS A 17 -10.011 27.581 22.641 1.00 61.42 H new ATOM 0 HA LYS A 17 -12.712 27.548 21.393 1.00 44.00 H new ATOM 0 HB2 LYS A 17 -10.021 27.240 19.998 1.00 3.31 H new ATOM 0 HB3 LYS A 17 -11.596 27.165 19.232 1.00 3.31 H new ATOM 0 HG2 LYS A 17 -11.958 29.589 20.058 1.00 33.33 H new ATOM 0 HG3 LYS A 17 -10.254 29.603 20.467 1.00 33.33 H new ATOM 0 HD2 LYS A 17 -11.444 29.191 17.683 1.00 62.04 H new ATOM 0 HD3 LYS A 17 -10.603 30.620 18.252 1.00 62.04 H new ATOM 0 HE2 LYS A 17 -8.494 29.340 18.459 1.00 62.43 H new ATOM 0 HE3 LYS A 17 -9.316 27.860 18.006 1.00 62.43 H new ATOM 0 HZ1 LYS A 17 -8.150 28.825 16.127 1.00 1.35 H new ATOM 0 HZ2 LYS A 17 -9.823 28.837 15.839 1.00 1.35 H new ATOM 0 HZ3 LYS A 17 -9.026 30.271 16.277 1.00 1.35 H new ATOM 279 N CYS A 18 -12.682 25.012 21.082 1.00 31.34 N ATOM 280 CA CYS A 18 -12.791 23.546 21.054 1.00 42.24 C ATOM 281 C CYS A 18 -12.789 23.072 19.590 1.00 13.33 C ATOM 282 O CYS A 18 -13.735 23.359 18.846 1.00 33.21 O ATOM 283 CB CYS A 18 -14.095 23.135 21.774 1.00 20.52 C ATOM 284 SG CYS A 18 -14.233 23.803 23.448 1.00 2.22 S ATOM 0 H CYS A 18 -13.507 25.480 20.706 1.00 31.34 H new ATOM 0 HA CYS A 18 -11.948 23.082 21.566 1.00 42.24 H new ATOM 0 HB2 CYS A 18 -14.948 23.472 21.185 1.00 20.52 H new ATOM 0 HB3 CYS A 18 -14.149 22.047 21.819 1.00 20.52 H new ATOM 0 HG CYS A 18 -15.354 23.414 23.980 1.00 2.22 H new ATOM 290 N ASP A 19 -11.705 22.390 19.180 1.00 20.34 N ATOM 291 CA ASP A 19 -11.530 21.874 17.809 1.00 20.30 C ATOM 292 C ASP A 19 -12.599 20.803 17.496 1.00 33.33 C ATOM 293 O ASP A 19 -12.896 19.954 18.341 1.00 41.21 O ATOM 294 CB ASP A 19 -10.106 21.284 17.651 1.00 1.32 C ATOM 295 CG ASP A 19 -9.792 20.836 16.209 1.00 3.55 C ATOM 296 OD1 ASP A 19 -9.455 21.700 15.372 1.00 12.31 O ATOM 297 OD2 ASP A 19 -9.886 19.626 15.899 1.00 41.40 O ATOM 0 H ASP A 19 -10.919 22.179 19.795 1.00 20.34 H new ATOM 0 HA ASP A 19 -11.653 22.694 17.101 1.00 20.30 H new ATOM 0 HB2 ASP A 19 -9.374 22.030 17.961 1.00 1.32 H new ATOM 0 HB3 ASP A 19 -9.996 20.432 18.322 1.00 1.32 H new ATOM 302 N VAL A 20 -13.162 20.856 16.280 1.00 52.40 N ATOM 303 CA VAL A 20 -14.246 19.958 15.827 1.00 43.53 C ATOM 304 C VAL A 20 -13.712 18.906 14.825 1.00 74.33 C ATOM 305 O VAL A 20 -12.771 19.178 14.066 1.00 53.52 O ATOM 306 CB VAL A 20 -15.427 20.792 15.188 1.00 75.44 C ATOM 307 CG1 VAL A 20 -16.108 21.696 16.250 1.00 33.33 C ATOM 308 CG2 VAL A 20 -14.949 21.631 13.973 1.00 40.32 C ATOM 0 H VAL A 20 -12.877 21.531 15.571 1.00 52.40 H new ATOM 0 HA VAL A 20 -14.632 19.427 16.697 1.00 43.53 H new ATOM 0 HB VAL A 20 -16.165 20.079 14.822 1.00 75.44 H new ATOM 0 HG11 VAL A 20 -16.917 22.259 15.784 1.00 33.33 H new ATOM 0 HG12 VAL A 20 -16.512 21.076 17.051 1.00 33.33 H new ATOM 0 HG13 VAL A 20 -15.374 22.389 16.662 1.00 33.33 H new ATOM 0 HG21 VAL A 20 -15.790 22.189 13.563 1.00 40.32 H new ATOM 0 HG22 VAL A 20 -14.174 22.327 14.294 1.00 40.32 H new ATOM 0 HG23 VAL A 20 -14.547 20.967 13.208 1.00 40.32 H new ATOM 318 N CYS A 21 -14.318 17.710 14.849 1.00 73.11 N ATOM 319 CA CYS A 21 -13.963 16.594 13.953 1.00 53.45 C ATOM 320 C CYS A 21 -15.184 15.674 13.743 1.00 1.35 C ATOM 321 O CYS A 21 -16.245 15.880 14.348 1.00 60.12 O ATOM 322 CB CYS A 21 -12.773 15.796 14.547 1.00 52.03 C ATOM 323 SG CYS A 21 -13.141 15.003 16.123 1.00 34.32 S ATOM 0 H CYS A 21 -15.075 17.486 15.495 1.00 73.11 H new ATOM 0 HA CYS A 21 -13.663 16.995 12.985 1.00 53.45 H new ATOM 0 HB2 CYS A 21 -12.466 15.034 13.831 1.00 52.03 H new ATOM 0 HB3 CYS A 21 -11.926 16.470 14.679 1.00 52.03 H new ATOM 0 HG CYS A 21 -12.092 14.359 16.540 1.00 34.32 H new ATOM 329 N GLY A 22 -15.020 14.668 12.873 1.00 65.25 N ATOM 330 CA GLY A 22 -16.080 13.702 12.545 1.00 52.35 C ATOM 331 C GLY A 22 -16.049 13.308 11.070 1.00 51.32 C ATOM 332 O GLY A 22 -17.086 12.983 10.483 1.00 24.53 O ATOM 0 H GLY A 22 -14.146 14.500 12.375 1.00 65.25 H new ATOM 0 HA2 GLY A 22 -15.964 12.811 13.162 1.00 52.35 H new ATOM 0 HA3 GLY A 22 -17.052 14.132 12.786 1.00 52.35 H new ATOM 336 N MET A 23 -14.840 13.348 10.485 1.00 24.43 N ATOM 337 CA MET A 23 -14.610 13.063 9.061 1.00 44.13 C ATOM 338 C MET A 23 -14.687 11.549 8.798 1.00 0.40 C ATOM 339 O MET A 23 -14.201 10.750 9.612 1.00 54.53 O ATOM 340 CB MET A 23 -13.222 13.603 8.620 1.00 73.33 C ATOM 341 CG MET A 23 -13.054 15.126 8.734 1.00 71.41 C ATOM 342 SD MET A 23 -13.102 15.722 10.442 1.00 24.52 S ATOM 343 CE MET A 23 -12.787 17.473 10.216 1.00 12.34 C ATOM 0 H MET A 23 -13.987 13.582 10.994 1.00 24.43 H new ATOM 0 HA MET A 23 -15.386 13.563 8.481 1.00 44.13 H new ATOM 0 HB2 MET A 23 -12.453 13.121 9.223 1.00 73.33 H new ATOM 0 HB3 MET A 23 -13.046 13.309 7.585 1.00 73.33 H new ATOM 0 HG2 MET A 23 -12.106 15.415 8.281 1.00 71.41 H new ATOM 0 HG3 MET A 23 -13.842 15.616 8.163 1.00 71.41 H new ATOM 0 HE1 MET A 23 -12.507 17.918 11.170 1.00 12.34 H new ATOM 0 HE2 MET A 23 -11.976 17.607 9.501 1.00 12.34 H new ATOM 0 HE3 MET A 23 -13.687 17.959 9.839 1.00 12.34 H new ATOM 353 N VAL A 24 -15.309 11.177 7.664 1.00 52.42 N ATOM 354 CA VAL A 24 -15.388 9.783 7.179 1.00 52.24 C ATOM 355 C VAL A 24 -15.391 9.784 5.637 1.00 32.24 C ATOM 356 O VAL A 24 -15.965 10.691 5.008 1.00 3.41 O ATOM 357 CB VAL A 24 -16.661 9.034 7.744 1.00 2.55 C ATOM 358 CG1 VAL A 24 -17.992 9.709 7.324 1.00 14.34 C ATOM 359 CG2 VAL A 24 -16.653 7.524 7.380 1.00 64.24 C ATOM 0 H VAL A 24 -15.777 11.843 7.050 1.00 52.42 H new ATOM 0 HA VAL A 24 -14.516 9.239 7.543 1.00 52.24 H new ATOM 0 HB VAL A 24 -16.600 9.113 8.829 1.00 2.55 H new ATOM 0 HG11 VAL A 24 -18.830 9.151 7.741 1.00 14.34 H new ATOM 0 HG12 VAL A 24 -18.015 10.732 7.699 1.00 14.34 H new ATOM 0 HG13 VAL A 24 -18.068 9.719 6.237 1.00 14.34 H new ATOM 0 HG21 VAL A 24 -17.545 7.047 7.787 1.00 64.24 H new ATOM 0 HG22 VAL A 24 -16.644 7.411 6.296 1.00 64.24 H new ATOM 0 HG23 VAL A 24 -15.765 7.053 7.801 1.00 64.24 H new ATOM 369 N CYS A 25 -14.725 8.788 5.039 1.00 43.25 N ATOM 370 CA CYS A 25 -14.640 8.605 3.586 1.00 40.31 C ATOM 371 C CYS A 25 -14.394 7.116 3.302 1.00 5.13 C ATOM 372 O CYS A 25 -13.375 6.555 3.732 1.00 15.52 O ATOM 373 CB CYS A 25 -13.504 9.478 2.994 1.00 34.04 C ATOM 374 SG CYS A 25 -11.871 9.158 3.707 1.00 41.03 S ATOM 0 H CYS A 25 -14.220 8.073 5.563 1.00 43.25 H new ATOM 0 HA CYS A 25 -15.571 8.919 3.114 1.00 40.31 H new ATOM 0 HB2 CYS A 25 -13.457 9.311 1.918 1.00 34.04 H new ATOM 0 HB3 CYS A 25 -13.753 10.529 3.143 1.00 34.04 H new ATOM 0 HG CYS A 25 -11.773 7.900 4.020 1.00 41.03 H new ATOM 380 N ILE A 26 -15.354 6.467 2.627 1.00 65.23 N ATOM 381 CA ILE A 26 -15.311 5.023 2.330 1.00 62.44 C ATOM 382 C ILE A 26 -15.072 4.773 0.827 1.00 35.24 C ATOM 383 O ILE A 26 -15.146 5.703 -0.001 1.00 72.52 O ATOM 384 CB ILE A 26 -16.658 4.320 2.765 1.00 42.31 C ATOM 385 CG1 ILE A 26 -17.881 4.941 2.002 1.00 44.14 C ATOM 386 CG2 ILE A 26 -16.868 4.395 4.299 1.00 34.22 C ATOM 387 CD1 ILE A 26 -19.211 4.224 2.201 1.00 3.23 C ATOM 0 H ILE A 26 -16.189 6.930 2.268 1.00 65.23 H new ATOM 0 HA ILE A 26 -14.483 4.599 2.898 1.00 62.44 H new ATOM 0 HB ILE A 26 -16.584 3.267 2.495 1.00 42.31 H new ATOM 0 HG12 ILE A 26 -17.996 5.978 2.318 1.00 44.14 H new ATOM 0 HG13 ILE A 26 -17.652 4.957 0.936 1.00 44.14 H new ATOM 0 HG21 ILE A 26 -17.804 3.902 4.563 1.00 34.22 H new ATOM 0 HG22 ILE A 26 -16.040 3.897 4.804 1.00 34.22 H new ATOM 0 HG23 ILE A 26 -16.908 5.439 4.610 1.00 34.22 H new ATOM 0 HD11 ILE A 26 -19.988 4.734 1.631 1.00 3.23 H new ATOM 0 HD12 ILE A 26 -19.124 3.194 1.855 1.00 3.23 H new ATOM 0 HD13 ILE A 26 -19.473 4.231 3.259 1.00 3.23 H new ATOM 399 N GLY A 27 -14.792 3.511 0.497 1.00 24.24 N ATOM 400 CA GLY A 27 -14.710 3.044 -0.886 1.00 33.01 C ATOM 401 C GLY A 27 -15.699 1.904 -1.132 1.00 74.23 C ATOM 402 O GLY A 27 -15.924 1.096 -0.215 1.00 20.25 O ATOM 0 H GLY A 27 -14.615 2.781 1.187 1.00 24.24 H new ATOM 0 HA2 GLY A 27 -14.922 3.869 -1.567 1.00 33.01 H new ATOM 0 HA3 GLY A 27 -13.696 2.705 -1.101 1.00 33.01 H new ATOM 406 N PRO A 28 -16.331 1.805 -2.344 1.00 71.31 N ATOM 407 CA PRO A 28 -17.299 0.734 -2.654 1.00 44.31 C ATOM 408 C PRO A 28 -16.617 -0.625 -2.922 1.00 24.21 C ATOM 409 O PRO A 28 -15.451 -0.691 -3.337 1.00 21.41 O ATOM 410 CB PRO A 28 -18.025 1.271 -3.918 1.00 14.35 C ATOM 411 CG PRO A 28 -17.006 2.122 -4.608 1.00 52.54 C ATOM 412 CD PRO A 28 -16.165 2.740 -3.496 1.00 15.12 C ATOM 0 HA PRO A 28 -17.973 0.530 -1.822 1.00 44.31 H new ATOM 0 HB2 PRO A 28 -18.360 0.455 -4.559 1.00 14.35 H new ATOM 0 HB3 PRO A 28 -18.909 1.850 -3.651 1.00 14.35 H new ATOM 0 HG2 PRO A 28 -16.389 1.526 -5.281 1.00 52.54 H new ATOM 0 HG3 PRO A 28 -17.484 2.893 -5.212 1.00 52.54 H new ATOM 0 HD2 PRO A 28 -15.119 2.827 -3.790 1.00 15.12 H new ATOM 0 HD3 PRO A 28 -16.511 3.743 -3.247 1.00 15.12 H new ATOM 420 N ASN A 29 -17.378 -1.707 -2.702 1.00 30.20 N ATOM 421 CA ASN A 29 -16.935 -3.102 -2.948 1.00 1.43 C ATOM 422 C ASN A 29 -17.133 -3.503 -4.424 1.00 53.44 C ATOM 423 O ASN A 29 -17.518 -4.646 -4.729 1.00 33.24 O ATOM 424 CB ASN A 29 -17.698 -4.081 -2.009 1.00 5.24 C ATOM 425 CG ASN A 29 -17.325 -3.904 -0.541 1.00 34.53 C ATOM 426 OD1 ASN A 29 -17.916 -3.085 0.156 1.00 45.04 O ATOM 427 ND2 ASN A 29 -16.339 -4.654 -0.057 1.00 24.30 N ATOM 0 H ASN A 29 -18.331 -1.645 -2.344 1.00 30.20 H new ATOM 0 HA ASN A 29 -15.869 -3.161 -2.729 1.00 1.43 H new ATOM 0 HB2 ASN A 29 -18.771 -3.929 -2.127 1.00 5.24 H new ATOM 0 HB3 ASN A 29 -17.486 -5.107 -2.312 1.00 5.24 H new ATOM 0 HD21 ASN A 29 -16.056 -4.557 0.918 1.00 24.30 H new ATOM 0 HD22 ASN A 29 -15.866 -5.327 -0.661 1.00 24.30 H new ATOM 434 N VAL A 30 -16.842 -2.568 -5.350 1.00 64.40 N ATOM 435 CA VAL A 30 -16.799 -2.871 -6.795 1.00 42.04 C ATOM 436 C VAL A 30 -15.650 -3.866 -7.099 1.00 60.52 C ATOM 437 O VAL A 30 -15.716 -4.634 -8.058 1.00 61.32 O ATOM 438 CB VAL A 30 -16.669 -1.562 -7.670 1.00 73.22 C ATOM 439 CG1 VAL A 30 -17.889 -0.632 -7.467 1.00 14.53 C ATOM 440 CG2 VAL A 30 -15.355 -0.806 -7.384 1.00 10.11 C ATOM 0 H VAL A 30 -16.633 -1.596 -5.123 1.00 64.40 H new ATOM 0 HA VAL A 30 -17.746 -3.338 -7.067 1.00 42.04 H new ATOM 0 HB VAL A 30 -16.646 -1.877 -8.713 1.00 73.22 H new ATOM 0 HG11 VAL A 30 -17.772 0.261 -8.081 1.00 14.53 H new ATOM 0 HG12 VAL A 30 -18.799 -1.157 -7.758 1.00 14.53 H new ATOM 0 HG13 VAL A 30 -17.956 -0.344 -6.418 1.00 14.53 H new ATOM 0 HG21 VAL A 30 -15.306 0.087 -8.007 1.00 10.11 H new ATOM 0 HG22 VAL A 30 -15.322 -0.518 -6.333 1.00 10.11 H new ATOM 0 HG23 VAL A 30 -14.507 -1.452 -7.610 1.00 10.11 H new ATOM 450 N LEU A 31 -14.610 -3.850 -6.236 1.00 51.21 N ATOM 451 CA LEU A 31 -13.466 -4.781 -6.311 1.00 21.15 C ATOM 452 C LEU A 31 -13.905 -6.227 -5.953 1.00 11.42 C ATOM 453 O LEU A 31 -13.373 -7.199 -6.510 1.00 63.35 O ATOM 454 CB LEU A 31 -12.299 -4.321 -5.376 1.00 34.21 C ATOM 455 CG LEU A 31 -11.637 -2.922 -5.680 1.00 53.54 C ATOM 456 CD1 LEU A 31 -12.520 -1.742 -5.226 1.00 65.20 C ATOM 457 CD2 LEU A 31 -10.235 -2.816 -5.049 1.00 15.23 C ATOM 0 H LEU A 31 -14.542 -3.187 -5.464 1.00 51.21 H new ATOM 0 HA LEU A 31 -13.102 -4.773 -7.338 1.00 21.15 H new ATOM 0 HB2 LEU A 31 -12.674 -4.301 -4.353 1.00 34.21 H new ATOM 0 HB3 LEU A 31 -11.517 -5.080 -5.414 1.00 34.21 H new ATOM 0 HG LEU A 31 -11.537 -2.858 -6.764 1.00 53.54 H new ATOM 0 HD11 LEU A 31 -12.019 -0.802 -5.458 1.00 65.20 H new ATOM 0 HD12 LEU A 31 -13.476 -1.782 -5.747 1.00 65.20 H new ATOM 0 HD13 LEU A 31 -12.690 -1.807 -4.151 1.00 65.20 H new ATOM 0 HD21 LEU A 31 -9.806 -1.840 -5.277 1.00 15.23 H new ATOM 0 HD22 LEU A 31 -10.312 -2.935 -3.968 1.00 15.23 H new ATOM 0 HD23 LEU A 31 -9.593 -3.598 -5.455 1.00 15.23 H new ATOM 469 N MET A 32 -14.906 -6.347 -5.051 1.00 63.42 N ATOM 470 CA MET A 32 -15.406 -7.645 -4.535 1.00 24.05 C ATOM 471 C MET A 32 -16.089 -8.474 -5.639 1.00 53.12 C ATOM 472 O MET A 32 -15.868 -9.683 -5.742 1.00 4.55 O ATOM 473 CB MET A 32 -16.400 -7.397 -3.369 1.00 32.30 C ATOM 474 CG MET A 32 -16.971 -8.659 -2.706 1.00 33.41 C ATOM 475 SD MET A 32 -15.693 -9.691 -1.953 1.00 14.35 S ATOM 476 CE MET A 32 -16.675 -11.009 -1.244 1.00 53.21 C ATOM 0 H MET A 32 -15.393 -5.542 -4.658 1.00 63.42 H new ATOM 0 HA MET A 32 -14.549 -8.215 -4.175 1.00 24.05 H new ATOM 0 HB2 MET A 32 -15.897 -6.803 -2.606 1.00 32.30 H new ATOM 0 HB3 MET A 32 -17.230 -6.798 -3.744 1.00 32.30 H new ATOM 0 HG2 MET A 32 -17.694 -8.368 -1.943 1.00 33.41 H new ATOM 0 HG3 MET A 32 -17.511 -9.243 -3.451 1.00 33.41 H new ATOM 0 HE1 MET A 32 -16.020 -11.723 -0.745 1.00 53.21 H new ATOM 0 HE2 MET A 32 -17.375 -10.592 -0.520 1.00 53.21 H new ATOM 0 HE3 MET A 32 -17.229 -11.516 -2.034 1.00 53.21 H new ATOM 486 N VAL A 33 -16.917 -7.803 -6.456 1.00 64.01 N ATOM 487 CA VAL A 33 -17.683 -8.459 -7.541 1.00 31.12 C ATOM 488 C VAL A 33 -16.756 -8.916 -8.694 1.00 23.41 C ATOM 489 O VAL A 33 -17.051 -9.906 -9.376 1.00 71.14 O ATOM 490 CB VAL A 33 -18.843 -7.540 -8.070 1.00 63.52 C ATOM 491 CG1 VAL A 33 -19.802 -7.171 -6.915 1.00 72.44 C ATOM 492 CG2 VAL A 33 -18.308 -6.273 -8.766 1.00 3.03 C ATOM 0 H VAL A 33 -17.077 -6.798 -6.388 1.00 64.01 H new ATOM 0 HA VAL A 33 -18.143 -9.351 -7.116 1.00 31.12 H new ATOM 0 HB VAL A 33 -19.395 -8.105 -8.821 1.00 63.52 H new ATOM 0 HG11 VAL A 33 -20.601 -6.534 -7.295 1.00 72.44 H new ATOM 0 HG12 VAL A 33 -20.232 -8.080 -6.494 1.00 72.44 H new ATOM 0 HG13 VAL A 33 -19.251 -6.638 -6.140 1.00 72.44 H new ATOM 0 HG21 VAL A 33 -19.145 -5.669 -9.115 1.00 3.03 H new ATOM 0 HG22 VAL A 33 -17.712 -5.694 -8.060 1.00 3.03 H new ATOM 0 HG23 VAL A 33 -17.688 -6.559 -9.616 1.00 3.03 H new ATOM 502 N HIS A 34 -15.632 -8.182 -8.885 1.00 21.52 N ATOM 503 CA HIS A 34 -14.589 -8.508 -9.890 1.00 65.54 C ATOM 504 C HIS A 34 -13.974 -9.909 -9.646 1.00 24.44 C ATOM 505 O HIS A 34 -13.472 -10.542 -10.583 1.00 3.12 O ATOM 506 CB HIS A 34 -13.458 -7.440 -9.893 1.00 63.15 C ATOM 507 CG HIS A 34 -13.891 -6.045 -10.279 1.00 44.43 C ATOM 508 ND1 HIS A 34 -13.179 -4.919 -9.921 1.00 74.53 N ATOM 509 CD2 HIS A 34 -14.948 -5.595 -11.004 1.00 54.21 C ATOM 510 CE1 HIS A 34 -13.773 -3.852 -10.400 1.00 71.11 C ATOM 511 NE2 HIS A 34 -14.847 -4.231 -11.057 1.00 62.44 N ATOM 0 H HIS A 34 -15.422 -7.343 -8.344 1.00 21.52 H new ATOM 0 HA HIS A 34 -15.081 -8.510 -10.862 1.00 65.54 H new ATOM 0 HB2 HIS A 34 -13.013 -7.403 -8.899 1.00 63.15 H new ATOM 0 HB3 HIS A 34 -12.676 -7.764 -10.580 1.00 63.15 H new ATOM 0 HD2 HIS A 34 -15.722 -6.199 -11.454 1.00 54.21 H new ATOM 0 HE1 HIS A 34 -13.436 -2.833 -10.276 1.00 71.11 H new ATOM 0 HE2 HIS A 34 -15.501 -3.608 -11.531 1.00 62.44 H new ATOM 520 N LYS A 35 -14.005 -10.361 -8.377 1.00 4.54 N ATOM 521 CA LYS A 35 -13.526 -11.695 -7.959 1.00 35.41 C ATOM 522 C LYS A 35 -14.213 -12.819 -8.763 1.00 31.53 C ATOM 523 O LYS A 35 -13.541 -13.643 -9.397 1.00 50.24 O ATOM 524 CB LYS A 35 -13.796 -11.890 -6.446 1.00 72.31 C ATOM 525 CG LYS A 35 -13.279 -13.209 -5.830 1.00 11.42 C ATOM 526 CD LYS A 35 -13.646 -13.383 -4.332 1.00 61.21 C ATOM 527 CE LYS A 35 -13.000 -12.345 -3.390 1.00 21.33 C ATOM 528 NZ LYS A 35 -13.614 -10.988 -3.494 1.00 11.03 N ATOM 0 H LYS A 35 -14.368 -9.804 -7.603 1.00 4.54 H new ATOM 0 HA LYS A 35 -12.455 -11.750 -8.155 1.00 35.41 H new ATOM 0 HB2 LYS A 35 -13.343 -11.058 -5.906 1.00 72.31 H new ATOM 0 HB3 LYS A 35 -14.871 -11.831 -6.279 1.00 72.31 H new ATOM 0 HG2 LYS A 35 -13.686 -14.048 -6.395 1.00 11.42 H new ATOM 0 HG3 LYS A 35 -12.195 -13.249 -5.937 1.00 11.42 H new ATOM 0 HD2 LYS A 35 -14.729 -13.325 -4.227 1.00 61.21 H new ATOM 0 HD3 LYS A 35 -13.348 -14.381 -4.011 1.00 61.21 H new ATOM 0 HE2 LYS A 35 -13.085 -12.696 -2.362 1.00 21.33 H new ATOM 0 HE3 LYS A 35 -11.936 -12.273 -3.616 1.00 21.33 H new ATOM 0 HZ1 LYS A 35 -12.890 -10.301 -3.785 1.00 11.03 H new ATOM 0 HZ2 LYS A 35 -14.378 -11.006 -4.199 1.00 11.03 H new ATOM 0 HZ3 LYS A 35 -14.002 -10.711 -2.570 1.00 11.03 H new ATOM 542 N ARG A 36 -15.557 -12.793 -8.768 1.00 5.41 N ATOM 543 CA ARG A 36 -16.391 -13.834 -9.411 1.00 35.11 C ATOM 544 C ARG A 36 -16.286 -13.781 -10.944 1.00 2.34 C ATOM 545 O ARG A 36 -16.561 -14.776 -11.617 1.00 22.14 O ATOM 546 CB ARG A 36 -17.867 -13.679 -8.995 1.00 44.51 C ATOM 547 CG ARG A 36 -18.119 -13.690 -7.476 1.00 11.21 C ATOM 548 CD ARG A 36 -19.596 -13.459 -7.125 1.00 15.30 C ATOM 549 NE ARG A 36 -20.130 -12.260 -7.805 1.00 2.50 N ATOM 550 CZ ARG A 36 -20.720 -11.216 -7.206 1.00 74.45 C ATOM 551 NH1 ARG A 36 -20.887 -11.176 -5.883 1.00 1.02 N ATOM 552 NH2 ARG A 36 -21.131 -10.200 -7.953 1.00 11.32 N ATOM 0 H ARG A 36 -16.100 -12.051 -8.327 1.00 5.41 H new ATOM 0 HA ARG A 36 -16.015 -14.800 -9.073 1.00 35.11 H new ATOM 0 HB2 ARG A 36 -18.248 -12.744 -9.405 1.00 44.51 H new ATOM 0 HB3 ARG A 36 -18.444 -14.484 -9.450 1.00 44.51 H new ATOM 0 HG2 ARG A 36 -17.796 -14.646 -7.064 1.00 11.21 H new ATOM 0 HG3 ARG A 36 -17.511 -12.918 -7.004 1.00 11.21 H new ATOM 0 HD2 ARG A 36 -20.181 -14.333 -7.412 1.00 15.30 H new ATOM 0 HD3 ARG A 36 -19.702 -13.345 -6.046 1.00 15.30 H new ATOM 0 HE ARG A 36 -20.042 -12.224 -8.821 1.00 2.50 H new ATOM 0 HH11 ARG A 36 -20.563 -11.951 -5.304 1.00 1.02 H new ATOM 0 HH12 ARG A 36 -21.339 -10.371 -5.450 1.00 1.02 H new ATOM 0 HH21 ARG A 36 -20.996 -10.223 -8.964 1.00 11.32 H new ATOM 0 HH22 ARG A 36 -21.582 -9.396 -7.517 1.00 11.32 H new ATOM 566 N SER A 37 -15.887 -12.613 -11.480 1.00 21.33 N ATOM 567 CA SER A 37 -15.696 -12.407 -12.925 1.00 0.43 C ATOM 568 C SER A 37 -14.638 -13.386 -13.491 1.00 65.14 C ATOM 569 O SER A 37 -14.772 -13.868 -14.615 1.00 51.01 O ATOM 570 CB SER A 37 -15.302 -10.937 -13.194 1.00 34.24 C ATOM 571 OG SER A 37 -15.251 -10.641 -14.581 1.00 41.42 O ATOM 0 H SER A 37 -15.688 -11.784 -10.920 1.00 21.33 H new ATOM 0 HA SER A 37 -16.635 -12.615 -13.438 1.00 0.43 H new ATOM 0 HB2 SER A 37 -16.020 -10.276 -12.709 1.00 34.24 H new ATOM 0 HB3 SER A 37 -14.329 -10.735 -12.745 1.00 34.24 H new ATOM 0 HG SER A 37 -15.000 -9.702 -14.706 1.00 41.42 H new ATOM 577 N HIS A 38 -13.648 -13.744 -12.646 1.00 63.01 N ATOM 578 CA HIS A 38 -12.489 -14.581 -13.039 1.00 32.45 C ATOM 579 C HIS A 38 -12.855 -16.051 -13.339 1.00 21.13 C ATOM 580 O HIS A 38 -11.986 -16.810 -13.795 1.00 4.40 O ATOM 581 CB HIS A 38 -11.399 -14.525 -11.939 1.00 42.41 C ATOM 582 CG HIS A 38 -10.875 -13.145 -11.672 1.00 40.41 C ATOM 583 ND1 HIS A 38 -10.930 -12.537 -10.437 1.00 41.33 N ATOM 584 CD2 HIS A 38 -10.271 -12.260 -12.495 1.00 21.53 C ATOM 585 CE1 HIS A 38 -10.386 -11.343 -10.521 1.00 4.42 C ATOM 586 NE2 HIS A 38 -9.980 -11.153 -11.752 1.00 24.41 N ATOM 0 H HIS A 38 -13.628 -13.460 -11.666 1.00 63.01 H new ATOM 0 HA HIS A 38 -12.112 -14.161 -13.972 1.00 32.45 H new ATOM 0 HB2 HIS A 38 -11.808 -14.933 -11.015 1.00 42.41 H new ATOM 0 HB3 HIS A 38 -10.569 -15.168 -12.231 1.00 42.41 H new ATOM 0 HD1 HIS A 38 -11.329 -12.947 -9.593 1.00 41.33 H new ATOM 0 HD2 HIS A 38 -10.058 -12.402 -13.544 1.00 21.53 H new ATOM 0 HE1 HIS A 38 -10.290 -10.636 -9.710 1.00 4.42 H new ATOM 595 N THR A 39 -14.118 -16.453 -13.079 1.00 53.53 N ATOM 596 CA THR A 39 -14.594 -17.822 -13.371 1.00 31.14 C ATOM 597 C THR A 39 -14.563 -18.111 -14.887 1.00 14.10 C ATOM 598 O THR A 39 -14.140 -19.192 -15.320 1.00 71.12 O ATOM 599 CB THR A 39 -16.043 -18.048 -12.824 1.00 33.42 C ATOM 600 OG1 THR A 39 -16.930 -17.057 -13.375 1.00 12.51 O ATOM 601 CG2 THR A 39 -16.096 -17.985 -11.285 1.00 34.13 C ATOM 0 H THR A 39 -14.827 -15.847 -12.667 1.00 53.53 H new ATOM 0 HA THR A 39 -13.917 -18.511 -12.866 1.00 31.14 H new ATOM 0 HB THR A 39 -16.357 -19.046 -13.128 1.00 33.42 H new ATOM 0 HG1 THR A 39 -16.877 -16.237 -12.841 1.00 12.51 H new ATOM 0 HG21 THR A 39 -17.120 -18.147 -10.949 1.00 34.13 H new ATOM 0 HG22 THR A 39 -15.451 -18.757 -10.867 1.00 34.13 H new ATOM 0 HG23 THR A 39 -15.755 -17.006 -10.949 1.00 34.13 H new ATOM 609 N GLY A 40 -15.011 -17.125 -15.680 1.00 54.21 N ATOM 610 CA GLY A 40 -15.026 -17.223 -17.146 1.00 30.23 C ATOM 611 C GLY A 40 -14.209 -16.119 -17.790 1.00 4.23 C ATOM 612 O GLY A 40 -13.420 -16.376 -18.708 1.00 74.11 O ATOM 0 H GLY A 40 -15.372 -16.240 -15.323 1.00 54.21 H new ATOM 0 HA2 GLY A 40 -14.631 -18.193 -17.450 1.00 30.23 H new ATOM 0 HA3 GLY A 40 -16.054 -17.171 -17.504 1.00 30.23 H new ATOM 616 N GLU A 41 -14.408 -14.875 -17.312 1.00 1.21 N ATOM 617 CA GLU A 41 -13.652 -13.704 -17.785 1.00 45.11 C ATOM 618 C GLU A 41 -12.221 -13.739 -17.202 1.00 73.43 C ATOM 619 O GLU A 41 -11.973 -13.269 -16.085 1.00 1.00 O ATOM 620 CB GLU A 41 -14.378 -12.382 -17.395 1.00 32.04 C ATOM 621 CG GLU A 41 -15.857 -12.298 -17.828 1.00 62.44 C ATOM 622 CD GLU A 41 -16.059 -12.421 -19.344 1.00 63.12 C ATOM 623 OE1 GLU A 41 -15.788 -11.445 -20.069 1.00 22.25 O ATOM 624 OE2 GLU A 41 -16.468 -13.498 -19.828 1.00 72.41 O ATOM 0 H GLU A 41 -15.095 -14.657 -16.590 1.00 1.21 H new ATOM 0 HA GLU A 41 -13.590 -13.739 -18.873 1.00 45.11 H new ATOM 0 HB2 GLU A 41 -14.324 -12.261 -16.313 1.00 32.04 H new ATOM 0 HB3 GLU A 41 -13.838 -11.545 -17.836 1.00 32.04 H new ATOM 0 HG2 GLU A 41 -16.419 -13.088 -17.329 1.00 62.44 H new ATOM 0 HG3 GLU A 41 -16.273 -11.349 -17.490 1.00 62.44 H new ATOM 631 N ARG A 42 -11.313 -14.380 -17.936 1.00 55.31 N ATOM 632 CA ARG A 42 -9.894 -14.508 -17.562 1.00 52.31 C ATOM 633 C ARG A 42 -9.010 -13.678 -18.521 1.00 54.34 C ATOM 634 O ARG A 42 -9.178 -13.769 -19.747 1.00 53.25 O ATOM 635 CB ARG A 42 -9.510 -16.019 -17.570 1.00 45.02 C ATOM 636 CG ARG A 42 -9.769 -16.751 -18.910 1.00 55.22 C ATOM 637 CD ARG A 42 -9.640 -18.275 -18.803 1.00 61.23 C ATOM 638 NE ARG A 42 -8.317 -18.699 -18.318 1.00 15.24 N ATOM 639 CZ ARG A 42 -7.971 -19.964 -18.020 1.00 1.23 C ATOM 640 NH1 ARG A 42 -8.846 -20.968 -18.159 1.00 54.12 N ATOM 641 NH2 ARG A 42 -6.739 -20.218 -17.590 1.00 22.22 N ATOM 0 H ARG A 42 -11.539 -14.834 -18.821 1.00 55.31 H new ATOM 0 HA ARG A 42 -9.728 -14.114 -16.559 1.00 52.31 H new ATOM 0 HB2 ARG A 42 -8.453 -16.111 -17.321 1.00 45.02 H new ATOM 0 HB3 ARG A 42 -10.069 -16.525 -16.783 1.00 45.02 H new ATOM 0 HG2 ARG A 42 -10.769 -16.502 -19.265 1.00 55.22 H new ATOM 0 HG3 ARG A 42 -9.065 -16.385 -19.658 1.00 55.22 H new ATOM 0 HD2 ARG A 42 -10.408 -18.654 -18.129 1.00 61.23 H new ATOM 0 HD3 ARG A 42 -9.824 -18.721 -19.780 1.00 61.23 H new ATOM 0 HE ARG A 42 -7.607 -17.977 -18.198 1.00 15.24 H new ATOM 0 HH11 ARG A 42 -9.790 -20.779 -18.495 1.00 54.12 H new ATOM 0 HH12 ARG A 42 -8.568 -21.922 -17.929 1.00 54.12 H new ATOM 0 HH21 ARG A 42 -6.067 -19.457 -17.489 1.00 22.22 H new ATOM 0 HH22 ARG A 42 -6.466 -21.174 -17.361 1.00 22.22 H new ATOM 655 N PRO A 43 -8.085 -12.807 -17.995 1.00 75.21 N ATOM 656 CA PRO A 43 -7.120 -12.074 -18.846 1.00 15.42 C ATOM 657 C PRO A 43 -6.167 -13.042 -19.592 1.00 14.21 C ATOM 658 O PRO A 43 -5.594 -13.950 -18.976 1.00 32.22 O ATOM 659 CB PRO A 43 -6.351 -11.164 -17.842 1.00 53.32 C ATOM 660 CG PRO A 43 -6.543 -11.826 -16.506 1.00 0.15 C ATOM 661 CD PRO A 43 -7.927 -12.439 -16.556 1.00 13.25 C ATOM 0 HA PRO A 43 -7.608 -11.502 -19.635 1.00 15.42 H new ATOM 0 HB2 PRO A 43 -5.295 -11.093 -18.101 1.00 53.32 H new ATOM 0 HB3 PRO A 43 -6.749 -10.149 -17.842 1.00 53.32 H new ATOM 0 HG2 PRO A 43 -5.782 -12.587 -16.332 1.00 0.15 H new ATOM 0 HG3 PRO A 43 -6.463 -11.103 -15.694 1.00 0.15 H new ATOM 0 HD2 PRO A 43 -8.005 -13.311 -15.906 1.00 13.25 H new ATOM 0 HD3 PRO A 43 -8.692 -11.732 -16.235 1.00 13.25 H new ATOM 669 N PHE A 44 -6.052 -12.856 -20.923 1.00 43.11 N ATOM 670 CA PHE A 44 -5.120 -13.615 -21.779 1.00 62.11 C ATOM 671 C PHE A 44 -3.666 -13.375 -21.327 1.00 54.45 C ATOM 672 O PHE A 44 -3.332 -12.288 -20.854 1.00 12.32 O ATOM 673 CB PHE A 44 -5.279 -13.193 -23.266 1.00 23.24 C ATOM 674 CG PHE A 44 -6.686 -13.348 -23.832 1.00 31.00 C ATOM 675 CD1 PHE A 44 -7.176 -14.606 -24.173 1.00 33.30 C ATOM 676 CD2 PHE A 44 -7.526 -12.243 -24.014 1.00 62.24 C ATOM 677 CE1 PHE A 44 -8.448 -14.754 -24.688 1.00 13.04 C ATOM 678 CE2 PHE A 44 -8.795 -12.395 -24.531 1.00 20.04 C ATOM 679 CZ PHE A 44 -9.260 -13.650 -24.862 1.00 1.42 C ATOM 0 H PHE A 44 -6.607 -12.171 -21.436 1.00 43.11 H new ATOM 0 HA PHE A 44 -5.356 -14.675 -21.685 1.00 62.11 H new ATOM 0 HB2 PHE A 44 -4.976 -12.151 -23.367 1.00 23.24 H new ATOM 0 HB3 PHE A 44 -4.593 -13.785 -23.872 1.00 23.24 H new ATOM 0 HD1 PHE A 44 -6.553 -15.477 -24.033 1.00 33.30 H new ATOM 0 HD2 PHE A 44 -7.175 -11.258 -23.746 1.00 62.24 H new ATOM 0 HE1 PHE A 44 -8.810 -15.736 -24.956 1.00 13.04 H new ATOM 0 HE2 PHE A 44 -9.425 -11.530 -24.677 1.00 20.04 H new ATOM 0 HZ PHE A 44 -10.258 -13.770 -25.257 1.00 1.42 H new ATOM 689 N HIS A 45 -2.814 -14.387 -21.461 1.00 50.35 N ATOM 690 CA HIS A 45 -1.412 -14.311 -21.021 1.00 44.11 C ATOM 691 C HIS A 45 -0.471 -14.649 -22.181 1.00 74.24 C ATOM 692 O HIS A 45 -0.548 -15.741 -22.752 1.00 15.41 O ATOM 693 CB HIS A 45 -1.170 -15.269 -19.826 1.00 1.41 C ATOM 694 CG HIS A 45 0.272 -15.379 -19.391 1.00 64.33 C ATOM 695 ND1 HIS A 45 0.992 -16.551 -19.467 1.00 31.51 N ATOM 696 CD2 HIS A 45 1.124 -14.449 -18.895 1.00 14.54 C ATOM 697 CE1 HIS A 45 2.214 -16.341 -19.033 1.00 5.14 C ATOM 698 NE2 HIS A 45 2.319 -15.076 -18.685 1.00 11.14 N ATOM 0 H HIS A 45 -3.069 -15.283 -21.876 1.00 50.35 H new ATOM 0 HA HIS A 45 -1.203 -13.292 -20.694 1.00 44.11 H new ATOM 0 HB2 HIS A 45 -1.767 -14.930 -18.979 1.00 1.41 H new ATOM 0 HB3 HIS A 45 -1.532 -16.262 -20.094 1.00 1.41 H new ATOM 0 HD2 HIS A 45 0.901 -13.410 -18.702 1.00 14.54 H new ATOM 0 HE1 HIS A 45 2.999 -17.080 -18.972 1.00 5.14 H new ATOM 0 HE2 HIS A 45 3.161 -14.633 -18.316 1.00 11.14 H new ATOM 707 N CYS A 46 0.395 -13.682 -22.528 1.00 33.33 N ATOM 708 CA CYS A 46 1.496 -13.887 -23.464 1.00 15.42 C ATOM 709 C CYS A 46 2.598 -14.692 -22.754 1.00 60.20 C ATOM 710 O CYS A 46 3.265 -14.181 -21.842 1.00 25.31 O ATOM 711 CB CYS A 46 2.023 -12.525 -23.966 1.00 22.52 C ATOM 712 SG CYS A 46 3.215 -12.620 -25.350 1.00 55.02 S ATOM 0 H CYS A 46 0.344 -12.732 -22.160 1.00 33.33 H new ATOM 0 HA CYS A 46 1.156 -14.446 -24.336 1.00 15.42 H new ATOM 0 HB2 CYS A 46 1.174 -11.917 -24.278 1.00 22.52 H new ATOM 0 HB3 CYS A 46 2.497 -12.006 -23.133 1.00 22.52 H new ATOM 0 HG CYS A 46 4.091 -11.667 -25.234 1.00 55.02 H new ATOM 717 N ASN A 47 2.729 -15.971 -23.155 1.00 43.53 N ATOM 718 CA ASN A 47 3.585 -16.958 -22.467 1.00 52.44 C ATOM 719 C ASN A 47 5.080 -16.700 -22.756 1.00 13.30 C ATOM 720 O ASN A 47 5.440 -16.372 -23.897 1.00 13.32 O ATOM 721 CB ASN A 47 3.175 -18.401 -22.884 1.00 73.12 C ATOM 722 CG ASN A 47 3.952 -19.491 -22.141 1.00 44.10 C ATOM 723 OD1 ASN A 47 4.348 -19.328 -20.985 1.00 2.32 O ATOM 724 ND2 ASN A 47 4.155 -20.619 -22.787 1.00 70.25 N ATOM 0 H ASN A 47 2.243 -16.350 -23.968 1.00 43.53 H new ATOM 0 HA ASN A 47 3.439 -16.851 -21.392 1.00 52.44 H new ATOM 0 HB2 ASN A 47 2.109 -18.535 -22.701 1.00 73.12 H new ATOM 0 HB3 ASN A 47 3.331 -18.520 -23.956 1.00 73.12 H new ATOM 0 HD21 ASN A 47 4.651 -21.385 -22.332 1.00 70.25 H new ATOM 0 HD22 ASN A 47 3.817 -20.727 -23.743 1.00 70.25 H new ATOM 731 N GLN A 48 5.925 -16.857 -21.698 1.00 42.41 N ATOM 732 CA GLN A 48 7.392 -16.647 -21.757 1.00 45.10 C ATOM 733 C GLN A 48 7.732 -15.223 -22.251 1.00 42.23 C ATOM 734 O GLN A 48 8.774 -14.985 -22.870 1.00 12.44 O ATOM 735 CB GLN A 48 8.061 -17.750 -22.627 1.00 24.23 C ATOM 736 CG GLN A 48 7.947 -19.182 -22.054 1.00 23.11 C ATOM 737 CD GLN A 48 8.642 -20.242 -22.920 1.00 2.41 C ATOM 738 OE1 GLN A 48 8.714 -20.124 -24.146 1.00 74.22 O ATOM 739 NE2 GLN A 48 9.178 -21.272 -22.291 1.00 23.12 N ATOM 0 H GLN A 48 5.598 -17.136 -20.773 1.00 42.41 H new ATOM 0 HA GLN A 48 7.799 -16.732 -20.750 1.00 45.10 H new ATOM 0 HB2 GLN A 48 7.611 -17.734 -23.620 1.00 24.23 H new ATOM 0 HB3 GLN A 48 9.116 -17.506 -22.751 1.00 24.23 H new ATOM 0 HG2 GLN A 48 8.379 -19.201 -21.053 1.00 23.11 H new ATOM 0 HG3 GLN A 48 6.893 -19.441 -21.951 1.00 23.11 H new ATOM 0 HE21 GLN A 48 9.104 -21.345 -21.276 1.00 23.12 H new ATOM 0 HE22 GLN A 48 9.666 -21.995 -22.820 1.00 23.12 H new ATOM 748 N CYS A 49 6.852 -14.280 -21.901 1.00 12.23 N ATOM 749 CA CYS A 49 6.909 -12.883 -22.356 1.00 42.24 C ATOM 750 C CYS A 49 6.619 -11.920 -21.194 1.00 74.00 C ATOM 751 O CYS A 49 7.198 -10.828 -21.141 1.00 25.43 O ATOM 752 CB CYS A 49 5.890 -12.691 -23.500 1.00 20.42 C ATOM 753 SG CYS A 49 5.875 -11.049 -24.284 1.00 32.05 S ATOM 0 H CYS A 49 6.064 -14.468 -21.281 1.00 12.23 H new ATOM 0 HA CYS A 49 7.911 -12.658 -22.722 1.00 42.24 H new ATOM 0 HB2 CYS A 49 6.091 -13.437 -24.269 1.00 20.42 H new ATOM 0 HB3 CYS A 49 4.893 -12.895 -23.110 1.00 20.42 H new ATOM 0 HG CYS A 49 4.709 -10.499 -24.116 1.00 32.05 H new ATOM 758 N GLY A 50 5.710 -12.339 -20.287 1.00 54.11 N ATOM 759 CA GLY A 50 5.417 -11.602 -19.051 1.00 23.33 C ATOM 760 C GLY A 50 4.482 -10.428 -19.268 1.00 44.32 C ATOM 761 O GLY A 50 4.750 -9.307 -18.808 1.00 64.34 O ATOM 0 H GLY A 50 5.164 -13.194 -20.395 1.00 54.11 H new ATOM 0 HA2 GLY A 50 4.973 -12.283 -18.325 1.00 23.33 H new ATOM 0 HA3 GLY A 50 6.351 -11.241 -18.620 1.00 23.33 H new ATOM 765 N ALA A 51 3.365 -10.685 -19.967 1.00 13.11 N ATOM 766 CA ALA A 51 2.345 -9.664 -20.268 1.00 63.42 C ATOM 767 C ALA A 51 0.943 -10.281 -20.163 1.00 34.02 C ATOM 768 O ALA A 51 0.745 -11.440 -20.566 1.00 4.43 O ATOM 769 CB ALA A 51 2.594 -9.065 -21.660 1.00 22.14 C ATOM 0 H ALA A 51 3.142 -11.608 -20.341 1.00 13.11 H new ATOM 0 HA ALA A 51 2.413 -8.855 -19.540 1.00 63.42 H new ATOM 0 HB1 ALA A 51 1.835 -8.312 -21.873 1.00 22.14 H new ATOM 0 HB2 ALA A 51 3.581 -8.603 -21.686 1.00 22.14 H new ATOM 0 HB3 ALA A 51 2.543 -9.854 -22.410 1.00 22.14 H new ATOM 775 N SER A 52 -0.022 -9.509 -19.625 1.00 33.24 N ATOM 776 CA SER A 52 -1.422 -9.953 -19.443 1.00 64.30 C ATOM 777 C SER A 52 -2.387 -8.902 -20.030 1.00 71.44 C ATOM 778 O SER A 52 -2.278 -7.711 -19.719 1.00 14.11 O ATOM 779 CB SER A 52 -1.705 -10.202 -17.941 1.00 12.12 C ATOM 780 OG SER A 52 -1.422 -9.047 -17.166 1.00 72.55 O ATOM 0 H SER A 52 0.146 -8.556 -19.303 1.00 33.24 H new ATOM 0 HA SER A 52 -1.579 -10.891 -19.976 1.00 64.30 H new ATOM 0 HB2 SER A 52 -2.749 -10.486 -17.807 1.00 12.12 H new ATOM 0 HB3 SER A 52 -1.100 -11.037 -17.588 1.00 12.12 H new ATOM 0 HG SER A 52 -1.468 -8.251 -17.736 1.00 72.55 H new ATOM 786 N PHE A 53 -3.315 -9.361 -20.883 1.00 12.35 N ATOM 787 CA PHE A 53 -4.281 -8.516 -21.599 1.00 41.24 C ATOM 788 C PHE A 53 -5.664 -9.174 -21.538 1.00 72.31 C ATOM 789 O PHE A 53 -5.829 -10.300 -22.010 1.00 41.11 O ATOM 790 CB PHE A 53 -3.854 -8.357 -23.084 1.00 70.45 C ATOM 791 CG PHE A 53 -2.465 -7.756 -23.260 1.00 25.44 C ATOM 792 CD1 PHE A 53 -2.257 -6.387 -23.107 1.00 14.43 C ATOM 793 CD2 PHE A 53 -1.363 -8.560 -23.548 1.00 75.42 C ATOM 794 CE1 PHE A 53 -1.000 -5.843 -23.246 1.00 23.03 C ATOM 795 CE2 PHE A 53 -0.108 -8.011 -23.682 1.00 11.23 C ATOM 796 CZ PHE A 53 0.077 -6.652 -23.535 1.00 31.42 C ATOM 0 H PHE A 53 -3.417 -10.353 -21.099 1.00 12.35 H new ATOM 0 HA PHE A 53 -4.314 -7.532 -21.131 1.00 41.24 H new ATOM 0 HB2 PHE A 53 -3.882 -9.333 -23.568 1.00 70.45 H new ATOM 0 HB3 PHE A 53 -4.581 -7.727 -23.597 1.00 70.45 H new ATOM 0 HD1 PHE A 53 -3.093 -5.744 -22.876 1.00 14.43 H new ATOM 0 HD2 PHE A 53 -1.496 -9.625 -23.667 1.00 75.42 H new ATOM 0 HE1 PHE A 53 -0.858 -4.779 -23.128 1.00 23.03 H new ATOM 0 HE2 PHE A 53 0.736 -8.647 -23.903 1.00 11.23 H new ATOM 0 HZ PHE A 53 1.062 -6.224 -23.646 1.00 31.42 H new ATOM 806 N THR A 54 -6.648 -8.468 -20.961 1.00 14.50 N ATOM 807 CA THR A 54 -8.034 -8.965 -20.877 1.00 22.43 C ATOM 808 C THR A 54 -8.723 -8.960 -22.259 1.00 10.12 C ATOM 809 O THR A 54 -9.712 -9.669 -22.466 1.00 42.03 O ATOM 810 CB THR A 54 -8.883 -8.160 -19.832 1.00 55.02 C ATOM 811 OG1 THR A 54 -10.200 -8.734 -19.685 1.00 73.45 O ATOM 812 CG2 THR A 54 -9.008 -6.669 -20.194 1.00 61.42 C ATOM 0 H THR A 54 -6.511 -7.547 -20.544 1.00 14.50 H new ATOM 0 HA THR A 54 -7.976 -9.997 -20.531 1.00 22.43 H new ATOM 0 HB THR A 54 -8.348 -8.229 -18.885 1.00 55.02 H new ATOM 0 HG1 THR A 54 -10.711 -8.217 -19.028 1.00 73.45 H new ATOM 0 HG21 THR A 54 -9.605 -6.160 -19.438 1.00 61.42 H new ATOM 0 HG22 THR A 54 -8.016 -6.220 -20.236 1.00 61.42 H new ATOM 0 HG23 THR A 54 -9.492 -6.570 -21.166 1.00 61.42 H new ATOM 820 N GLN A 55 -8.190 -8.162 -23.201 1.00 61.30 N ATOM 821 CA GLN A 55 -8.713 -8.045 -24.568 1.00 40.35 C ATOM 822 C GLN A 55 -7.796 -8.791 -25.540 1.00 64.34 C ATOM 823 O GLN A 55 -6.562 -8.671 -25.455 1.00 64.54 O ATOM 824 CB GLN A 55 -8.822 -6.551 -24.980 1.00 45.02 C ATOM 825 CG GLN A 55 -9.648 -5.676 -24.015 1.00 1.41 C ATOM 826 CD GLN A 55 -11.072 -6.188 -23.780 1.00 20.11 C ATOM 827 OE1 GLN A 55 -11.329 -6.970 -22.860 1.00 51.54 O ATOM 828 NE2 GLN A 55 -12.007 -5.737 -24.595 1.00 1.01 N ATOM 0 H GLN A 55 -7.374 -7.574 -23.029 1.00 61.30 H new ATOM 0 HA GLN A 55 -9.708 -8.488 -24.603 1.00 40.35 H new ATOM 0 HB2 GLN A 55 -7.817 -6.135 -25.057 1.00 45.02 H new ATOM 0 HB3 GLN A 55 -9.268 -6.493 -25.973 1.00 45.02 H new ATOM 0 HG2 GLN A 55 -9.130 -5.619 -23.058 1.00 1.41 H new ATOM 0 HG3 GLN A 55 -9.698 -4.662 -24.411 1.00 1.41 H new ATOM 0 HE21 GLN A 55 -11.761 -5.091 -25.346 1.00 1.01 H new ATOM 0 HE22 GLN A 55 -12.975 -6.034 -24.474 1.00 1.01 H new ATOM 837 N LYS A 56 -8.417 -9.561 -26.456 1.00 0.11 N ATOM 838 CA LYS A 56 -7.711 -10.239 -27.558 1.00 41.14 C ATOM 839 C LYS A 56 -7.047 -9.204 -28.463 1.00 35.33 C ATOM 840 O LYS A 56 -5.939 -9.425 -28.905 1.00 60.03 O ATOM 841 CB LYS A 56 -8.673 -11.151 -28.378 1.00 63.23 C ATOM 842 CG LYS A 56 -9.889 -10.422 -28.977 1.00 34.44 C ATOM 843 CD LYS A 56 -10.848 -11.360 -29.748 1.00 22.33 C ATOM 844 CE LYS A 56 -12.188 -10.679 -30.055 1.00 65.12 C ATOM 845 NZ LYS A 56 -12.872 -10.241 -28.801 1.00 52.54 N ATOM 0 H LYS A 56 -9.423 -9.729 -26.451 1.00 0.11 H new ATOM 0 HA LYS A 56 -6.943 -10.881 -27.127 1.00 41.14 H new ATOM 0 HB2 LYS A 56 -8.110 -11.617 -29.187 1.00 63.23 H new ATOM 0 HB3 LYS A 56 -9.029 -11.955 -27.733 1.00 63.23 H new ATOM 0 HG2 LYS A 56 -10.440 -9.930 -28.175 1.00 34.44 H new ATOM 0 HG3 LYS A 56 -9.539 -9.639 -29.650 1.00 34.44 H new ATOM 0 HD2 LYS A 56 -10.378 -11.674 -30.680 1.00 22.33 H new ATOM 0 HD3 LYS A 56 -11.025 -12.261 -29.161 1.00 22.33 H new ATOM 0 HE2 LYS A 56 -12.021 -9.817 -30.701 1.00 65.12 H new ATOM 0 HE3 LYS A 56 -12.832 -11.368 -30.602 1.00 65.12 H new ATOM 0 HZ1 LYS A 56 -13.893 -10.151 -28.976 1.00 52.54 H new ATOM 0 HZ2 LYS A 56 -12.709 -10.945 -28.053 1.00 52.54 H new ATOM 0 HZ3 LYS A 56 -12.490 -9.322 -28.500 1.00 52.54 H new ATOM 859 N GLY A 57 -7.723 -8.051 -28.683 1.00 1.40 N ATOM 860 CA GLY A 57 -7.182 -6.972 -29.521 1.00 12.54 C ATOM 861 C GLY A 57 -5.808 -6.482 -29.057 1.00 24.24 C ATOM 862 O GLY A 57 -4.921 -6.226 -29.876 1.00 25.23 O ATOM 0 H GLY A 57 -8.642 -7.851 -28.289 1.00 1.40 H new ATOM 0 HA2 GLY A 57 -7.107 -7.322 -30.550 1.00 12.54 H new ATOM 0 HA3 GLY A 57 -7.879 -6.134 -29.519 1.00 12.54 H new ATOM 866 N ASN A 58 -5.633 -6.387 -27.730 1.00 33.52 N ATOM 867 CA ASN A 58 -4.365 -5.941 -27.116 1.00 40.42 C ATOM 868 C ASN A 58 -3.282 -7.026 -27.255 1.00 54.22 C ATOM 869 O ASN A 58 -2.128 -6.721 -27.575 1.00 53.14 O ATOM 870 CB ASN A 58 -4.566 -5.588 -25.618 1.00 42.42 C ATOM 871 CG ASN A 58 -5.529 -4.427 -25.376 1.00 22.33 C ATOM 872 OD1 ASN A 58 -6.500 -4.231 -26.106 1.00 20.13 O ATOM 873 ND2 ASN A 58 -5.272 -3.650 -24.344 1.00 12.04 N ATOM 0 H ASN A 58 -6.360 -6.615 -27.052 1.00 33.52 H new ATOM 0 HA ASN A 58 -4.038 -5.045 -27.644 1.00 40.42 H new ATOM 0 HB2 ASN A 58 -4.937 -6.469 -25.094 1.00 42.42 H new ATOM 0 HB3 ASN A 58 -3.599 -5.341 -25.181 1.00 42.42 H new ATOM 0 HD21 ASN A 58 -5.885 -2.863 -24.133 1.00 12.04 H new ATOM 0 HD22 ASN A 58 -4.460 -3.836 -23.755 1.00 12.04 H new ATOM 880 N LEU A 59 -3.685 -8.295 -27.047 1.00 21.11 N ATOM 881 CA LEU A 59 -2.773 -9.452 -27.117 1.00 22.21 C ATOM 882 C LEU A 59 -2.263 -9.670 -28.558 1.00 30.34 C ATOM 883 O LEU A 59 -1.085 -9.945 -28.761 1.00 64.33 O ATOM 884 CB LEU A 59 -3.484 -10.741 -26.627 1.00 31.24 C ATOM 885 CG LEU A 59 -2.591 -12.029 -26.597 1.00 4.22 C ATOM 886 CD1 LEU A 59 -1.515 -11.947 -25.493 1.00 35.15 C ATOM 887 CD2 LEU A 59 -3.443 -13.309 -26.475 1.00 3.24 C ATOM 0 H LEU A 59 -4.649 -8.546 -26.826 1.00 21.11 H new ATOM 0 HA LEU A 59 -1.924 -9.239 -26.468 1.00 22.21 H new ATOM 0 HB2 LEU A 59 -3.871 -10.564 -25.623 1.00 31.24 H new ATOM 0 HB3 LEU A 59 -4.343 -10.929 -27.271 1.00 31.24 H new ATOM 0 HG LEU A 59 -2.068 -12.084 -27.551 1.00 4.22 H new ATOM 0 HD11 LEU A 59 -0.915 -12.857 -25.502 1.00 35.15 H new ATOM 0 HD12 LEU A 59 -0.872 -11.086 -25.675 1.00 35.15 H new ATOM 0 HD13 LEU A 59 -1.998 -11.840 -24.522 1.00 35.15 H new ATOM 0 HD21 LEU A 59 -2.789 -14.181 -26.457 1.00 3.24 H new ATOM 0 HD22 LEU A 59 -4.024 -13.273 -25.554 1.00 3.24 H new ATOM 0 HD23 LEU A 59 -4.118 -13.379 -27.328 1.00 3.24 H new ATOM 899 N LEU A 60 -3.176 -9.512 -29.535 1.00 1.25 N ATOM 900 CA LEU A 60 -2.904 -9.773 -30.961 1.00 30.22 C ATOM 901 C LEU A 60 -1.929 -8.727 -31.525 1.00 73.45 C ATOM 902 O LEU A 60 -1.091 -9.046 -32.379 1.00 20.44 O ATOM 903 CB LEU A 60 -4.229 -9.794 -31.771 1.00 32.32 C ATOM 904 CG LEU A 60 -5.221 -10.955 -31.452 1.00 31.25 C ATOM 905 CD1 LEU A 60 -6.546 -10.797 -32.230 1.00 60.51 C ATOM 906 CD2 LEU A 60 -4.576 -12.328 -31.701 1.00 50.15 C ATOM 0 H LEU A 60 -4.130 -9.197 -29.356 1.00 1.25 H new ATOM 0 HA LEU A 60 -2.436 -10.753 -31.052 1.00 30.22 H new ATOM 0 HB2 LEU A 60 -4.745 -8.849 -31.605 1.00 32.32 H new ATOM 0 HB3 LEU A 60 -3.980 -9.839 -32.831 1.00 32.32 H new ATOM 0 HG LEU A 60 -5.462 -10.898 -30.391 1.00 31.25 H new ATOM 0 HD11 LEU A 60 -7.213 -11.623 -31.984 1.00 60.51 H new ATOM 0 HD12 LEU A 60 -7.019 -9.854 -31.955 1.00 60.51 H new ATOM 0 HD13 LEU A 60 -6.342 -10.802 -33.301 1.00 60.51 H new ATOM 0 HD21 LEU A 60 -5.294 -13.115 -31.469 1.00 50.15 H new ATOM 0 HD22 LEU A 60 -4.278 -12.406 -32.747 1.00 50.15 H new ATOM 0 HD23 LEU A 60 -3.698 -12.439 -31.064 1.00 50.15 H new ATOM 918 N ARG A 61 -2.040 -7.485 -31.025 1.00 41.45 N ATOM 919 CA ARG A 61 -1.088 -6.407 -31.334 1.00 41.44 C ATOM 920 C ARG A 61 0.290 -6.747 -30.728 1.00 0.41 C ATOM 921 O ARG A 61 1.307 -6.714 -31.420 1.00 14.33 O ATOM 922 CB ARG A 61 -1.598 -5.049 -30.784 1.00 25.02 C ATOM 923 CG ARG A 61 -0.651 -3.849 -31.038 1.00 12.41 C ATOM 924 CD ARG A 61 -1.198 -2.517 -30.490 1.00 35.24 C ATOM 925 NE ARG A 61 -0.302 -1.393 -30.804 1.00 32.12 N ATOM 926 CZ ARG A 61 -0.347 -0.178 -30.237 1.00 44.55 C ATOM 927 NH1 ARG A 61 -1.248 0.121 -29.295 1.00 52.54 N ATOM 928 NH2 ARG A 61 0.512 0.749 -30.628 1.00 12.43 N ATOM 0 H ARG A 61 -2.791 -7.201 -30.396 1.00 41.45 H new ATOM 0 HA ARG A 61 -0.994 -6.319 -32.416 1.00 41.44 H new ATOM 0 HB2 ARG A 61 -2.567 -4.831 -31.234 1.00 25.02 H new ATOM 0 HB3 ARG A 61 -1.760 -5.145 -29.710 1.00 25.02 H new ATOM 0 HG2 ARG A 61 0.316 -4.054 -30.578 1.00 12.41 H new ATOM 0 HG3 ARG A 61 -0.480 -3.750 -32.110 1.00 12.41 H new ATOM 0 HD2 ARG A 61 -2.184 -2.326 -30.914 1.00 35.24 H new ATOM 0 HD3 ARG A 61 -1.324 -2.592 -29.410 1.00 35.24 H new ATOM 0 HE ARG A 61 0.414 -1.551 -31.513 1.00 32.12 H new ATOM 0 HH11 ARG A 61 -1.922 -0.582 -28.992 1.00 52.54 H new ATOM 0 HH12 ARG A 61 -1.261 1.052 -28.879 1.00 52.54 H new ATOM 0 HH21 ARG A 61 1.198 0.536 -31.352 1.00 12.43 H new ATOM 0 HH22 ARG A 61 0.489 1.677 -30.205 1.00 12.43 H new ATOM 942 N HIS A 62 0.266 -7.126 -29.437 1.00 22.11 N ATOM 943 CA HIS A 62 1.464 -7.398 -28.623 1.00 53.52 C ATOM 944 C HIS A 62 2.352 -8.509 -29.219 1.00 2.21 C ATOM 945 O HIS A 62 3.572 -8.330 -29.358 1.00 23.44 O ATOM 946 CB HIS A 62 1.021 -7.767 -27.185 1.00 15.23 C ATOM 947 CG HIS A 62 2.118 -8.278 -26.309 1.00 54.01 C ATOM 948 ND1 HIS A 62 3.084 -7.485 -25.742 1.00 1.23 N ATOM 949 CD2 HIS A 62 2.395 -9.547 -25.923 1.00 3.31 C ATOM 950 CE1 HIS A 62 3.900 -8.272 -25.049 1.00 64.31 C ATOM 951 NE2 HIS A 62 3.527 -9.556 -25.127 1.00 22.12 N ATOM 0 H HIS A 62 -0.604 -7.254 -28.921 1.00 22.11 H new ATOM 0 HA HIS A 62 2.074 -6.495 -28.611 1.00 53.52 H new ATOM 0 HB2 HIS A 62 0.580 -6.887 -26.717 1.00 15.23 H new ATOM 0 HB3 HIS A 62 0.238 -8.523 -27.243 1.00 15.23 H new ATOM 0 HD1 HIS A 62 3.162 -6.472 -25.836 1.00 1.23 H new ATOM 0 HD2 HIS A 62 1.819 -10.419 -26.195 1.00 3.31 H new ATOM 0 HE1 HIS A 62 4.756 -7.920 -24.493 1.00 64.31 H new ATOM 959 N ILE A 63 1.734 -9.659 -29.540 1.00 31.35 N ATOM 960 CA ILE A 63 2.456 -10.844 -30.033 1.00 74.40 C ATOM 961 C ILE A 63 3.105 -10.559 -31.396 1.00 33.22 C ATOM 962 O ILE A 63 4.137 -11.136 -31.720 1.00 42.21 O ATOM 963 CB ILE A 63 1.535 -12.123 -30.108 1.00 43.04 C ATOM 964 CG1 ILE A 63 0.337 -11.899 -31.085 1.00 34.01 C ATOM 965 CG2 ILE A 63 1.036 -12.518 -28.696 1.00 31.44 C ATOM 966 CD1 ILE A 63 -0.632 -13.070 -31.225 1.00 10.22 C ATOM 0 H ILE A 63 0.726 -9.793 -29.465 1.00 31.35 H new ATOM 0 HA ILE A 63 3.242 -11.061 -29.309 1.00 74.40 H new ATOM 0 HB ILE A 63 2.131 -12.947 -30.501 1.00 43.04 H new ATOM 0 HG12 ILE A 63 -0.223 -11.026 -30.749 1.00 34.01 H new ATOM 0 HG13 ILE A 63 0.736 -11.662 -32.071 1.00 34.01 H new ATOM 0 HG21 ILE A 63 0.402 -13.402 -28.768 1.00 31.44 H new ATOM 0 HG22 ILE A 63 1.891 -12.735 -28.056 1.00 31.44 H new ATOM 0 HG23 ILE A 63 0.463 -11.695 -28.269 1.00 31.44 H new ATOM 0 HD11 ILE A 63 -1.423 -12.806 -31.926 1.00 10.22 H new ATOM 0 HD12 ILE A 63 -0.096 -13.944 -31.595 1.00 10.22 H new ATOM 0 HD13 ILE A 63 -1.070 -13.298 -30.253 1.00 10.22 H new ATOM 978 N LYS A 64 2.492 -9.646 -32.169 1.00 62.13 N ATOM 979 CA LYS A 64 3.031 -9.189 -33.457 1.00 43.40 C ATOM 980 C LYS A 64 4.314 -8.362 -33.209 1.00 4.33 C ATOM 981 O LYS A 64 5.319 -8.543 -33.912 1.00 33.51 O ATOM 982 CB LYS A 64 1.933 -8.368 -34.212 1.00 33.12 C ATOM 983 CG LYS A 64 2.161 -8.090 -35.731 1.00 62.30 C ATOM 984 CD LYS A 64 3.299 -7.099 -36.069 1.00 5.25 C ATOM 985 CE LYS A 64 3.062 -5.678 -35.534 1.00 42.21 C ATOM 986 NZ LYS A 64 1.967 -4.984 -36.263 1.00 11.23 N ATOM 0 H LYS A 64 1.608 -9.205 -31.916 1.00 62.13 H new ATOM 0 HA LYS A 64 3.302 -10.037 -34.086 1.00 43.40 H new ATOM 0 HB2 LYS A 64 0.985 -8.895 -34.105 1.00 33.12 H new ATOM 0 HB3 LYS A 64 1.823 -7.408 -33.707 1.00 33.12 H new ATOM 0 HG2 LYS A 64 2.370 -9.038 -36.227 1.00 62.30 H new ATOM 0 HG3 LYS A 64 1.233 -7.707 -36.154 1.00 62.30 H new ATOM 0 HD2 LYS A 64 4.234 -7.480 -35.659 1.00 5.25 H new ATOM 0 HD3 LYS A 64 3.420 -7.054 -37.151 1.00 5.25 H new ATOM 0 HE2 LYS A 64 2.818 -5.726 -34.473 1.00 42.21 H new ATOM 0 HE3 LYS A 64 3.981 -5.099 -35.623 1.00 42.21 H new ATOM 0 HZ1 LYS A 64 1.840 -4.029 -35.871 1.00 11.23 H new ATOM 0 HZ2 LYS A 64 2.211 -4.915 -37.272 1.00 11.23 H new ATOM 0 HZ3 LYS A 64 1.084 -5.522 -36.157 1.00 11.23 H new ATOM 1000 N LEU A 65 4.266 -7.476 -32.183 1.00 63.32 N ATOM 1001 CA LEU A 65 5.369 -6.544 -31.856 1.00 61.02 C ATOM 1002 C LEU A 65 6.679 -7.288 -31.528 1.00 70.23 C ATOM 1003 O LEU A 65 7.737 -6.938 -32.052 1.00 24.51 O ATOM 1004 CB LEU A 65 4.972 -5.620 -30.671 1.00 64.32 C ATOM 1005 CG LEU A 65 3.741 -4.693 -30.895 1.00 41.41 C ATOM 1006 CD1 LEU A 65 3.397 -3.912 -29.609 1.00 55.21 C ATOM 1007 CD2 LEU A 65 3.957 -3.739 -32.085 1.00 54.12 C ATOM 0 H LEU A 65 3.462 -7.389 -31.561 1.00 63.32 H new ATOM 0 HA LEU A 65 5.546 -5.936 -32.743 1.00 61.02 H new ATOM 0 HB2 LEU A 65 4.773 -6.247 -29.801 1.00 64.32 H new ATOM 0 HB3 LEU A 65 5.830 -4.994 -30.424 1.00 64.32 H new ATOM 0 HG LEU A 65 2.891 -5.330 -31.141 1.00 41.41 H new ATOM 0 HD11 LEU A 65 2.534 -3.272 -29.792 1.00 55.21 H new ATOM 0 HD12 LEU A 65 3.165 -4.614 -28.808 1.00 55.21 H new ATOM 0 HD13 LEU A 65 4.249 -3.298 -29.318 1.00 55.21 H new ATOM 0 HD21 LEU A 65 3.077 -3.108 -32.210 1.00 54.12 H new ATOM 0 HD22 LEU A 65 4.829 -3.112 -31.896 1.00 54.12 H new ATOM 0 HD23 LEU A 65 4.119 -4.320 -32.993 1.00 54.12 H new ATOM 1019 N HIS A 66 6.606 -8.310 -30.645 1.00 13.43 N ATOM 1020 CA HIS A 66 7.785 -9.148 -30.299 1.00 43.51 C ATOM 1021 C HIS A 66 7.896 -10.379 -31.224 1.00 73.21 C ATOM 1022 O HIS A 66 8.787 -11.225 -31.025 1.00 34.43 O ATOM 1023 CB HIS A 66 7.769 -9.561 -28.802 1.00 51.01 C ATOM 1024 CG HIS A 66 6.634 -10.471 -28.390 1.00 13.44 C ATOM 1025 ND1 HIS A 66 6.606 -11.829 -28.627 1.00 10.04 N ATOM 1026 CD2 HIS A 66 5.498 -10.198 -27.689 1.00 43.51 C ATOM 1027 CE1 HIS A 66 5.492 -12.326 -28.076 1.00 62.51 C ATOM 1028 NE2 HIS A 66 4.777 -11.369 -27.483 1.00 62.23 N ATOM 0 H HIS A 66 5.749 -8.576 -30.159 1.00 13.43 H new ATOM 0 HA HIS A 66 8.675 -8.540 -30.460 1.00 43.51 H new ATOM 0 HB2 HIS A 66 8.712 -10.057 -28.570 1.00 51.01 H new ATOM 0 HB3 HIS A 66 7.726 -8.657 -28.194 1.00 51.01 H new ATOM 0 HD2 HIS A 66 5.202 -9.218 -27.345 1.00 43.51 H new ATOM 0 HE1 HIS A 66 5.209 -13.368 -28.108 1.00 62.51 H new ATOM 0 HE2 HIS A 66 3.893 -11.473 -26.986 1.00 62.23 H new ATOM 1036 N SER A 67 6.981 -10.460 -32.215 1.00 61.10 N ATOM 1037 CA SER A 67 6.993 -11.474 -33.280 1.00 43.11 C ATOM 1038 C SER A 67 6.864 -12.906 -32.712 1.00 1.22 C ATOM 1039 O SER A 67 7.865 -13.595 -32.481 1.00 24.12 O ATOM 1040 CB SER A 67 8.250 -11.305 -34.177 1.00 0.14 C ATOM 1041 OG SER A 67 8.408 -9.953 -34.610 1.00 22.03 O ATOM 0 H SER A 67 6.201 -9.808 -32.294 1.00 61.10 H new ATOM 0 HA SER A 67 6.116 -11.318 -33.908 1.00 43.11 H new ATOM 0 HB2 SER A 67 9.137 -11.617 -33.625 1.00 0.14 H new ATOM 0 HB3 SER A 67 8.169 -11.959 -35.045 1.00 0.14 H new ATOM 0 HG SER A 67 9.336 -9.804 -34.887 1.00 22.03 H new ATOM 1047 N GLY A 68 5.607 -13.318 -32.463 1.00 0.31 N ATOM 1048 CA GLY A 68 5.303 -14.613 -31.865 1.00 2.22 C ATOM 1049 C GLY A 68 5.501 -15.756 -32.859 1.00 4.34 C ATOM 1050 O GLY A 68 6.582 -16.352 -32.922 1.00 21.11 O ATOM 0 H GLY A 68 4.781 -12.757 -32.674 1.00 0.31 H new ATOM 0 HA2 GLY A 68 5.942 -14.772 -30.996 1.00 2.22 H new ATOM 0 HA3 GLY A 68 4.273 -14.616 -31.508 1.00 2.22 H new ATOM 1054 N GLU A 69 4.455 -16.038 -33.652 1.00 51.43 N ATOM 1055 CA GLU A 69 4.469 -17.067 -34.701 1.00 73.51 C ATOM 1056 C GLU A 69 3.860 -16.473 -35.987 1.00 51.23 C ATOM 1057 O GLU A 69 2.693 -16.711 -36.339 1.00 31.13 O ATOM 1058 CB GLU A 69 3.722 -18.352 -34.215 1.00 1.20 C ATOM 1059 CG GLU A 69 2.301 -18.115 -33.643 1.00 61.54 C ATOM 1060 CD GLU A 69 1.530 -19.415 -33.384 1.00 72.53 C ATOM 1061 OE1 GLU A 69 1.182 -20.113 -34.362 1.00 43.14 O ATOM 1062 OE2 GLU A 69 1.269 -19.756 -32.207 1.00 12.31 O ATOM 0 H GLU A 69 3.563 -15.549 -33.580 1.00 51.43 H new ATOM 0 HA GLU A 69 5.492 -17.373 -34.922 1.00 73.51 H new ATOM 0 HB2 GLU A 69 3.648 -19.047 -35.051 1.00 1.20 H new ATOM 0 HB3 GLU A 69 4.328 -18.837 -33.450 1.00 1.20 H new ATOM 0 HG2 GLU A 69 2.380 -17.555 -32.711 1.00 61.54 H new ATOM 0 HG3 GLU A 69 1.734 -17.497 -34.339 1.00 61.54 H new ATOM 1069 N LYS A 70 4.662 -15.636 -36.666 1.00 73.22 N ATOM 1070 CA LYS A 70 4.218 -14.874 -37.846 1.00 42.24 C ATOM 1071 C LYS A 70 5.350 -14.816 -38.899 1.00 30.22 C ATOM 1072 O LYS A 70 6.525 -15.008 -38.550 1.00 44.35 O ATOM 1073 CB LYS A 70 3.807 -13.445 -37.395 1.00 71.31 C ATOM 1074 CG LYS A 70 4.936 -12.666 -36.675 1.00 1.21 C ATOM 1075 CD LYS A 70 4.601 -11.184 -36.396 1.00 10.10 C ATOM 1076 CE LYS A 70 4.587 -10.320 -37.670 1.00 61.14 C ATOM 1077 NZ LYS A 70 3.390 -10.537 -38.526 1.00 34.20 N ATOM 0 H LYS A 70 5.636 -15.468 -36.413 1.00 73.22 H new ATOM 0 HA LYS A 70 3.360 -15.365 -38.305 1.00 42.24 H new ATOM 0 HB2 LYS A 70 3.487 -12.877 -38.268 1.00 71.31 H new ATOM 0 HB3 LYS A 70 2.947 -13.518 -36.729 1.00 71.31 H new ATOM 0 HG2 LYS A 70 5.159 -13.161 -35.730 1.00 1.21 H new ATOM 0 HG3 LYS A 70 5.840 -12.715 -37.281 1.00 1.21 H new ATOM 0 HD2 LYS A 70 3.627 -11.123 -35.911 1.00 10.10 H new ATOM 0 HD3 LYS A 70 5.331 -10.778 -35.696 1.00 10.10 H new ATOM 0 HE2 LYS A 70 4.634 -9.269 -37.386 1.00 61.14 H new ATOM 0 HE3 LYS A 70 5.483 -10.533 -38.253 1.00 61.14 H new ATOM 0 HZ1 LYS A 70 3.023 -9.619 -38.848 1.00 34.20 H new ATOM 0 HZ2 LYS A 70 3.653 -11.113 -39.351 1.00 34.20 H new ATOM 0 HZ3 LYS A 70 2.656 -11.030 -37.978 1.00 34.20 H new ATOM 1091 N PRO A 71 5.015 -14.575 -40.206 1.00 62.42 N ATOM 1092 CA PRO A 71 6.024 -14.284 -41.262 1.00 4.24 C ATOM 1093 C PRO A 71 6.846 -13.003 -40.958 1.00 52.41 C ATOM 1094 O PRO A 71 6.435 -11.886 -41.287 1.00 33.12 O ATOM 1095 CB PRO A 71 5.164 -14.131 -42.553 1.00 55.44 C ATOM 1096 CG PRO A 71 3.778 -13.835 -42.056 1.00 20.24 C ATOM 1097 CD PRO A 71 3.639 -14.626 -40.781 1.00 54.11 C ATOM 0 HA PRO A 71 6.777 -15.068 -41.345 1.00 4.24 H new ATOM 0 HB2 PRO A 71 5.538 -13.326 -43.185 1.00 55.44 H new ATOM 0 HB3 PRO A 71 5.184 -15.041 -43.152 1.00 55.44 H new ATOM 0 HG2 PRO A 71 3.644 -12.769 -41.875 1.00 20.24 H new ATOM 0 HG3 PRO A 71 3.026 -14.131 -42.787 1.00 20.24 H new ATOM 0 HD2 PRO A 71 2.904 -14.183 -40.109 1.00 54.11 H new ATOM 0 HD3 PRO A 71 3.319 -15.650 -40.974 1.00 54.11 H new ATOM 1105 N PHE A 72 7.986 -13.189 -40.280 1.00 72.34 N ATOM 1106 CA PHE A 72 8.902 -12.102 -39.935 1.00 15.30 C ATOM 1107 C PHE A 72 9.697 -11.716 -41.198 1.00 34.23 C ATOM 1108 O PHE A 72 10.403 -12.569 -41.761 1.00 72.31 O ATOM 1109 CB PHE A 72 9.851 -12.550 -38.798 1.00 12.01 C ATOM 1110 CG PHE A 72 10.797 -11.462 -38.285 1.00 43.42 C ATOM 1111 CD1 PHE A 72 10.371 -10.559 -37.313 1.00 42.25 C ATOM 1112 CD2 PHE A 72 12.104 -11.335 -38.773 1.00 34.52 C ATOM 1113 CE1 PHE A 72 11.213 -9.572 -36.842 1.00 4.41 C ATOM 1114 CE2 PHE A 72 12.945 -10.344 -38.303 1.00 70.04 C ATOM 1115 CZ PHE A 72 12.498 -9.463 -37.338 1.00 40.31 C ATOM 0 H PHE A 72 8.297 -14.104 -39.955 1.00 72.34 H new ATOM 0 HA PHE A 72 8.345 -11.235 -39.580 1.00 15.30 H new ATOM 0 HB2 PHE A 72 9.250 -12.912 -37.964 1.00 12.01 H new ATOM 0 HB3 PHE A 72 10.446 -13.392 -39.151 1.00 12.01 H new ATOM 0 HD1 PHE A 72 9.367 -10.633 -36.922 1.00 42.25 H new ATOM 0 HD2 PHE A 72 12.460 -12.021 -39.527 1.00 34.52 H new ATOM 0 HE1 PHE A 72 10.867 -8.884 -36.085 1.00 4.41 H new ATOM 0 HE2 PHE A 72 13.950 -10.259 -38.690 1.00 70.04 H new ATOM 0 HZ PHE A 72 13.154 -8.688 -36.970 1.00 40.31 H new ATOM 1125 N LYS A 73 9.529 -10.453 -41.631 1.00 2.15 N ATOM 1126 CA LYS A 73 10.195 -9.862 -42.816 1.00 2.04 C ATOM 1127 C LYS A 73 9.532 -10.419 -44.111 1.00 33.53 C ATOM 1128 O LYS A 73 8.693 -9.720 -44.719 1.00 12.55 O ATOM 1129 CB LYS A 73 11.763 -10.060 -42.770 1.00 35.04 C ATOM 1130 CG LYS A 73 12.617 -9.267 -43.817 1.00 61.23 C ATOM 1131 CD LYS A 73 12.627 -9.874 -45.245 1.00 71.55 C ATOM 1132 CE LYS A 73 13.212 -11.300 -45.282 1.00 44.22 C ATOM 1133 NZ LYS A 73 13.150 -11.899 -46.648 1.00 13.32 N ATOM 1134 OXT LYS A 73 9.806 -11.578 -44.488 1.00 37.64 O ATOM 0 H LYS A 73 8.911 -9.795 -41.157 1.00 2.15 H new ATOM 0 HA LYS A 73 10.052 -8.781 -42.813 1.00 2.04 H new ATOM 0 HB2 LYS A 73 12.109 -9.784 -41.774 1.00 35.04 H new ATOM 0 HB3 LYS A 73 11.973 -11.122 -42.898 1.00 35.04 H new ATOM 0 HG2 LYS A 73 12.239 -8.246 -43.874 1.00 61.23 H new ATOM 0 HG3 LYS A 73 13.644 -9.207 -43.456 1.00 61.23 H new ATOM 0 HD2 LYS A 73 11.609 -9.893 -45.634 1.00 71.55 H new ATOM 0 HD3 LYS A 73 13.208 -9.230 -45.905 1.00 71.55 H new ATOM 0 HE2 LYS A 73 14.248 -11.275 -44.945 1.00 44.22 H new ATOM 0 HE3 LYS A 73 12.665 -11.934 -44.584 1.00 44.22 H new ATOM 0 HZ1 LYS A 73 13.554 -12.857 -46.626 1.00 13.32 H new ATOM 0 HZ2 LYS A 73 12.159 -11.948 -46.961 1.00 13.32 H new ATOM 0 HZ3 LYS A 73 13.694 -11.310 -47.310 1.00 13.32 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.495 -11.202 -25.530 1.00 75.12 ZN