USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 765 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 58 THR OG1 : rot -73:sc= -0.0925 USER MOD Set 1.2: A 61 GLN : amide:sc= 1.79 K(o=1.7,f=-4.5!) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0.32 K(o=0.67,f=-0.0036) USER MOD Set 2.2: A 9 SER OG : rot 81:sc= 0.353 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.277 (180deg=-0.764!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 4 HIS : no HD1:sc= -0.578 X(o=-0.58,f=-0.39) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.054) USER MOD Single : A 10 HIS : no HD1:sc= -0.661 K(o=-0.66,f=-1.8) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= -0.0079 (180deg=-0.0896) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -128:sc=-0.00788 USER MOD Single : A 31 MET CE :methyl -163:sc= -0.0715 (180deg=-0.486) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -91:sc= 0.359 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.26 K(o=1.3,f=-0.023) USER MOD Single : A 49 ASN : amide:sc= -0.0664 K(o=-0.066,f=-0.59) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.3!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0697) USER MOD Single : A 79 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.4) USER MOD Single : A 80 ASN : amide:sc= 0.125 X(o=0.13,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 43:sc= 0.375 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.698 -45.561 28.444 1.00 12.34 N ATOM 2 CA MET A 1 33.697 -44.819 29.739 1.00 5.21 C ATOM 3 C MET A 1 32.350 -44.132 30.008 1.00 1.35 C ATOM 4 O MET A 1 31.964 -43.937 31.160 1.00 44.41 O ATOM 5 CB MET A 1 34.825 -43.776 29.761 1.00 53.41 C ATOM 6 CG MET A 1 34.712 -42.721 28.670 1.00 63.14 C ATOM 7 SD MET A 1 34.646 -43.449 27.024 1.00 23.23 S ATOM 8 CE MET A 1 34.456 -41.986 26.008 1.00 63.41 C ATOM 0 H1 MET A 1 34.482 -46.245 28.436 1.00 12.34 H new ATOM 0 H2 MET A 1 32.796 -46.067 28.333 1.00 12.34 H new ATOM 0 H3 MET A 1 33.817 -44.889 27.659 1.00 12.34 H new ATOM 0 HA MET A 1 33.863 -45.552 30.529 1.00 5.21 H new ATOM 0 HB2 MET A 1 34.830 -43.281 30.732 1.00 53.41 H new ATOM 0 HB3 MET A 1 35.782 -44.288 29.660 1.00 53.41 H new ATOM 0 HG2 MET A 1 33.816 -42.123 28.837 1.00 63.14 H new ATOM 0 HG3 MET A 1 35.564 -42.044 28.732 1.00 63.14 H new ATOM 0 HE1 MET A 1 34.400 -42.276 24.959 1.00 63.41 H new ATOM 0 HE2 MET A 1 33.541 -41.464 26.289 1.00 63.41 H new ATOM 0 HE3 MET A 1 35.311 -41.326 26.157 1.00 63.41 H new ATOM 20 N GLY A 2 31.634 -43.765 28.946 1.00 33.11 N ATOM 21 CA GLY A 2 30.350 -43.085 29.100 1.00 60.42 C ATOM 22 C GLY A 2 30.361 -41.657 28.557 1.00 15.40 C ATOM 23 O GLY A 2 31.048 -40.782 29.091 1.00 22.15 O ATOM 0 H GLY A 2 31.918 -43.925 27.979 1.00 33.11 H new ATOM 0 HA2 GLY A 2 29.578 -43.657 28.585 1.00 60.42 H new ATOM 0 HA3 GLY A 2 30.081 -43.064 30.156 1.00 60.42 H new ATOM 27 N HIS A 3 29.597 -41.419 27.495 1.00 44.34 N ATOM 28 CA HIS A 3 29.530 -40.098 26.860 1.00 61.02 C ATOM 29 C HIS A 3 28.459 -39.209 27.521 1.00 51.13 C ATOM 30 O HIS A 3 27.310 -39.157 27.075 1.00 71.21 O ATOM 31 CB HIS A 3 29.244 -40.258 25.359 1.00 10.25 C ATOM 32 CG HIS A 3 29.218 -38.966 24.598 1.00 32.52 C ATOM 33 ND1 HIS A 3 28.050 -38.363 24.178 1.00 25.44 N ATOM 34 CD2 HIS A 3 30.223 -38.167 24.169 1.00 41.41 C ATOM 35 CE1 HIS A 3 28.337 -37.255 23.527 1.00 3.13 C ATOM 36 NE2 HIS A 3 29.644 -37.115 23.507 1.00 32.33 N ATOM 0 H HIS A 3 29.011 -42.126 27.051 1.00 44.34 H new ATOM 0 HA HIS A 3 30.493 -39.605 26.993 1.00 61.02 H new ATOM 0 HB2 HIS A 3 30.002 -40.908 24.923 1.00 10.25 H new ATOM 0 HB3 HIS A 3 28.284 -40.760 25.235 1.00 10.25 H new ATOM 0 HD2 HIS A 3 31.280 -38.328 24.320 1.00 41.41 H new ATOM 0 HE1 HIS A 3 27.621 -36.577 23.085 1.00 3.13 H new ATOM 0 HE2 HIS A 3 30.148 -36.345 23.068 1.00 32.33 H new ATOM 45 N HIS A 4 28.846 -38.522 28.594 1.00 0.44 N ATOM 46 CA HIS A 4 27.926 -37.646 29.334 1.00 5.52 C ATOM 47 C HIS A 4 27.532 -36.394 28.527 1.00 63.24 C ATOM 48 O HIS A 4 28.269 -35.410 28.471 1.00 23.51 O ATOM 49 CB HIS A 4 28.535 -37.248 30.693 1.00 71.11 C ATOM 50 CG HIS A 4 29.971 -36.817 30.633 1.00 24.11 C ATOM 51 ND1 HIS A 4 31.020 -37.648 30.970 1.00 21.21 N ATOM 52 CD2 HIS A 4 30.533 -35.636 30.285 1.00 32.24 C ATOM 53 CE1 HIS A 4 32.157 -36.999 30.831 1.00 53.23 C ATOM 54 NE2 HIS A 4 31.890 -35.780 30.417 1.00 14.04 N ATOM 0 H HIS A 4 29.792 -38.552 28.975 1.00 0.44 H new ATOM 0 HA HIS A 4 27.012 -38.213 29.508 1.00 5.52 H new ATOM 0 HB2 HIS A 4 27.944 -36.437 31.118 1.00 71.11 H new ATOM 0 HB3 HIS A 4 28.452 -38.094 31.375 1.00 71.11 H new ATOM 0 HD2 HIS A 4 30.011 -34.747 29.964 1.00 32.24 H new ATOM 0 HE1 HIS A 4 33.141 -37.400 31.024 1.00 53.23 H new ATOM 0 HE2 HIS A 4 32.583 -35.056 30.225 1.00 14.04 H new ATOM 63 N HIS A 5 26.363 -36.452 27.896 1.00 54.01 N ATOM 64 CA HIS A 5 25.820 -35.309 27.156 1.00 24.04 C ATOM 65 C HIS A 5 24.624 -34.687 27.899 1.00 23.30 C ATOM 66 O HIS A 5 23.525 -35.243 27.907 1.00 70.22 O ATOM 67 CB HIS A 5 25.405 -35.744 25.742 1.00 52.23 C ATOM 68 CG HIS A 5 24.598 -34.719 25.000 1.00 14.11 C ATOM 69 ND1 HIS A 5 23.228 -34.791 24.877 1.00 21.50 N ATOM 70 CD2 HIS A 5 24.971 -33.595 24.341 1.00 43.15 C ATOM 71 CE1 HIS A 5 22.792 -33.762 24.180 1.00 54.23 C ATOM 72 NE2 HIS A 5 23.828 -33.022 23.844 1.00 15.11 N ATOM 0 H HIS A 5 25.769 -37.281 27.880 1.00 54.01 H new ATOM 0 HA HIS A 5 26.599 -34.551 27.079 1.00 24.04 H new ATOM 0 HB2 HIS A 5 26.301 -35.972 25.166 1.00 52.23 H new ATOM 0 HB3 HIS A 5 24.827 -36.666 25.811 1.00 52.23 H new ATOM 0 HD2 HIS A 5 25.978 -33.221 24.228 1.00 43.15 H new ATOM 0 HE1 HIS A 5 21.762 -33.560 23.927 1.00 54.23 H new ATOM 0 HE2 HIS A 5 23.787 -32.160 23.301 1.00 15.11 H new ATOM 81 N HIS A 6 24.849 -33.537 28.531 1.00 73.13 N ATOM 82 CA HIS A 6 23.788 -32.814 29.243 1.00 73.44 C ATOM 83 C HIS A 6 23.211 -31.674 28.391 1.00 34.02 C ATOM 84 O HIS A 6 23.896 -31.117 27.533 1.00 52.23 O ATOM 85 CB HIS A 6 24.314 -32.259 30.572 1.00 13.22 C ATOM 86 CG HIS A 6 24.495 -33.303 31.628 1.00 50.34 C ATOM 87 ND1 HIS A 6 23.506 -33.634 32.528 1.00 63.05 N ATOM 88 CD2 HIS A 6 25.551 -34.095 31.933 1.00 31.14 C ATOM 89 CE1 HIS A 6 23.943 -34.573 33.337 1.00 63.40 C ATOM 90 NE2 HIS A 6 25.178 -34.873 33.001 1.00 31.33 N ATOM 0 H HIS A 6 25.761 -33.081 28.567 1.00 73.13 H new ATOM 0 HA HIS A 6 22.986 -33.525 29.444 1.00 73.44 H new ATOM 0 HB2 HIS A 6 25.268 -31.763 30.396 1.00 13.22 H new ATOM 0 HB3 HIS A 6 23.623 -31.500 30.938 1.00 13.22 H new ATOM 0 HD2 HIS A 6 26.507 -34.111 31.430 1.00 31.14 H new ATOM 0 HE1 HIS A 6 23.382 -35.023 34.143 1.00 63.40 H new ATOM 0 HE2 HIS A 6 25.764 -35.571 33.459 1.00 31.33 H new ATOM 99 N HIS A 7 21.947 -31.338 28.641 1.00 4.15 N ATOM 100 CA HIS A 7 21.258 -30.269 27.902 1.00 21.01 C ATOM 101 C HIS A 7 21.905 -28.890 28.126 1.00 23.32 C ATOM 102 O HIS A 7 22.620 -28.672 29.106 1.00 12.22 O ATOM 103 CB HIS A 7 19.778 -30.222 28.305 1.00 73.24 C ATOM 104 CG HIS A 7 19.550 -29.977 29.768 1.00 71.41 C ATOM 105 ND1 HIS A 7 19.238 -30.978 30.664 1.00 54.00 N ATOM 106 CD2 HIS A 7 19.584 -28.832 30.493 1.00 54.23 C ATOM 107 CE1 HIS A 7 19.092 -30.462 31.868 1.00 33.01 C ATOM 108 NE2 HIS A 7 19.297 -29.162 31.791 1.00 51.12 N ATOM 0 H HIS A 7 21.372 -31.790 29.352 1.00 4.15 H new ATOM 0 HA HIS A 7 21.346 -30.502 26.841 1.00 21.01 H new ATOM 0 HB2 HIS A 7 19.282 -29.437 27.734 1.00 73.24 H new ATOM 0 HB3 HIS A 7 19.307 -31.165 28.027 1.00 73.24 H new ATOM 0 HD2 HIS A 7 19.798 -27.843 30.117 1.00 54.23 H new ATOM 0 HE1 HIS A 7 18.846 -31.011 32.765 1.00 33.01 H new ATOM 0 HE2 HIS A 7 19.250 -28.508 32.572 1.00 51.12 H new ATOM 117 N HIS A 8 21.640 -27.962 27.210 1.00 0.12 N ATOM 118 CA HIS A 8 22.183 -26.601 27.292 1.00 74.21 C ATOM 119 C HIS A 8 21.094 -25.572 27.645 1.00 11.35 C ATOM 120 O HIS A 8 21.250 -24.776 28.577 1.00 53.15 O ATOM 121 CB HIS A 8 22.856 -26.234 25.959 1.00 21.11 C ATOM 122 CG HIS A 8 23.319 -24.809 25.878 1.00 34.13 C ATOM 123 ND1 HIS A 8 22.942 -23.958 24.864 1.00 22.42 N ATOM 124 CD2 HIS A 8 24.129 -24.085 26.686 1.00 14.41 C ATOM 125 CE1 HIS A 8 23.494 -22.781 25.048 1.00 21.12 C ATOM 126 NE2 HIS A 8 24.220 -22.826 26.146 1.00 22.44 N ATOM 0 H HIS A 8 21.049 -28.126 26.395 1.00 0.12 H new ATOM 0 HA HIS A 8 22.922 -26.578 28.093 1.00 74.21 H new ATOM 0 HB2 HIS A 8 23.711 -26.892 25.803 1.00 21.11 H new ATOM 0 HB3 HIS A 8 22.155 -26.424 25.146 1.00 21.11 H new ATOM 0 HD2 HIS A 8 24.613 -24.433 27.587 1.00 14.41 H new ATOM 0 HE1 HIS A 8 23.373 -21.920 24.407 1.00 21.12 H new ATOM 0 HE2 HIS A 8 24.761 -22.052 26.532 1.00 22.44 H new ATOM 135 N SER A 9 19.990 -25.595 26.906 1.00 41.21 N ATOM 136 CA SER A 9 18.920 -24.604 27.078 1.00 33.12 C ATOM 137 C SER A 9 17.528 -25.246 27.052 1.00 71.14 C ATOM 138 O SER A 9 17.352 -26.372 26.587 1.00 3.34 O ATOM 139 CB SER A 9 19.005 -23.528 25.988 1.00 72.15 C ATOM 140 OG SER A 9 20.229 -22.809 26.061 1.00 64.44 O ATOM 0 H SER A 9 19.807 -26.288 26.180 1.00 41.21 H new ATOM 0 HA SER A 9 19.064 -24.149 28.058 1.00 33.12 H new ATOM 0 HB2 SER A 9 18.913 -23.994 25.007 1.00 72.15 H new ATOM 0 HB3 SER A 9 18.169 -22.837 26.092 1.00 72.15 H new ATOM 0 HG SER A 9 20.938 -23.325 25.624 1.00 64.44 H new ATOM 146 N HIS A 10 16.547 -24.516 27.581 1.00 31.32 N ATOM 147 CA HIS A 10 15.140 -24.932 27.552 1.00 61.12 C ATOM 148 C HIS A 10 14.218 -23.750 27.894 1.00 2.14 C ATOM 149 O HIS A 10 14.314 -23.173 28.977 1.00 15.43 O ATOM 150 CB HIS A 10 14.888 -26.098 28.526 1.00 52.41 C ATOM 151 CG HIS A 10 15.279 -25.813 29.948 1.00 11.30 C ATOM 152 ND1 HIS A 10 14.473 -25.124 30.831 1.00 14.04 N ATOM 153 CD2 HIS A 10 16.392 -26.142 30.646 1.00 10.34 C ATOM 154 CE1 HIS A 10 15.071 -25.043 32.003 1.00 61.23 C ATOM 155 NE2 HIS A 10 16.234 -25.653 31.919 1.00 0.12 N ATOM 0 H HIS A 10 16.702 -23.620 28.042 1.00 31.32 H new ATOM 0 HA HIS A 10 14.914 -25.273 26.542 1.00 61.12 H new ATOM 0 HB2 HIS A 10 13.830 -26.357 28.498 1.00 52.41 H new ATOM 0 HB3 HIS A 10 15.439 -26.972 28.178 1.00 52.41 H new ATOM 0 HD2 HIS A 10 17.245 -26.688 30.271 1.00 10.34 H new ATOM 0 HE1 HIS A 10 14.674 -24.558 32.883 1.00 61.23 H new ATOM 0 HE2 HIS A 10 16.909 -25.747 32.678 1.00 0.12 H new ATOM 164 N MET A 11 13.330 -23.389 26.967 1.00 51.35 N ATOM 165 CA MET A 11 12.395 -22.275 27.180 1.00 23.34 C ATOM 166 C MET A 11 11.371 -22.161 26.037 1.00 14.14 C ATOM 167 O MET A 11 11.601 -22.649 24.930 1.00 75.24 O ATOM 168 CB MET A 11 13.152 -20.945 27.324 1.00 70.21 C ATOM 169 CG MET A 11 14.025 -20.593 26.125 1.00 31.23 C ATOM 170 SD MET A 11 14.864 -19.009 26.328 1.00 12.54 S ATOM 171 CE MET A 11 15.826 -18.938 24.816 1.00 54.43 C ATOM 0 H MET A 11 13.236 -23.849 26.061 1.00 51.35 H new ATOM 0 HA MET A 11 11.856 -22.486 28.104 1.00 23.34 H new ATOM 0 HB2 MET A 11 12.430 -20.144 27.482 1.00 70.21 H new ATOM 0 HB3 MET A 11 13.778 -20.990 28.215 1.00 70.21 H new ATOM 0 HG2 MET A 11 14.767 -21.378 25.976 1.00 31.23 H new ATOM 0 HG3 MET A 11 13.409 -20.562 25.227 1.00 31.23 H new ATOM 0 HE1 MET A 11 16.402 -18.013 24.794 1.00 54.43 H new ATOM 0 HE2 MET A 11 16.506 -19.789 24.777 1.00 54.43 H new ATOM 0 HE3 MET A 11 15.156 -18.969 23.957 1.00 54.43 H new ATOM 181 N ALA A 12 10.245 -21.504 26.316 1.00 31.53 N ATOM 182 CA ALA A 12 9.199 -21.276 25.310 1.00 71.34 C ATOM 183 C ALA A 12 9.154 -19.804 24.868 1.00 30.33 C ATOM 184 O ALA A 12 9.287 -18.891 25.687 1.00 55.25 O ATOM 185 CB ALA A 12 7.843 -21.711 25.857 1.00 11.32 C ATOM 0 H ALA A 12 10.030 -21.117 27.235 1.00 31.53 H new ATOM 0 HA ALA A 12 9.438 -21.876 24.432 1.00 71.34 H new ATOM 0 HB1 ALA A 12 7.074 -21.538 25.104 1.00 11.32 H new ATOM 0 HB2 ALA A 12 7.874 -22.772 26.106 1.00 11.32 H new ATOM 0 HB3 ALA A 12 7.610 -21.135 26.752 1.00 11.32 H new ATOM 191 N LYS A 13 8.978 -19.580 23.568 1.00 44.32 N ATOM 192 CA LYS A 13 8.886 -18.223 23.014 1.00 12.14 C ATOM 193 C LYS A 13 7.423 -17.773 22.862 1.00 51.01 C ATOM 194 O LYS A 13 6.531 -18.601 22.667 1.00 42.11 O ATOM 195 CB LYS A 13 9.598 -18.162 21.654 1.00 74.15 C ATOM 196 CG LYS A 13 11.088 -18.496 21.721 1.00 64.11 C ATOM 197 CD LYS A 13 11.861 -17.556 22.650 1.00 71.12 C ATOM 198 CE LYS A 13 11.762 -16.100 22.202 1.00 61.03 C ATOM 199 NZ LYS A 13 12.330 -15.889 20.844 1.00 23.22 N ATOM 0 H LYS A 13 8.895 -20.321 22.872 1.00 44.32 H new ATOM 0 HA LYS A 13 9.375 -17.543 23.712 1.00 12.14 H new ATOM 0 HB2 LYS A 13 9.111 -18.855 20.968 1.00 74.15 H new ATOM 0 HB3 LYS A 13 9.478 -17.162 21.236 1.00 74.15 H new ATOM 0 HG2 LYS A 13 11.211 -19.523 22.065 1.00 64.11 H new ATOM 0 HG3 LYS A 13 11.514 -18.442 20.719 1.00 64.11 H new ATOM 0 HD2 LYS A 13 11.474 -17.650 23.665 1.00 71.12 H new ATOM 0 HD3 LYS A 13 12.909 -17.856 22.679 1.00 71.12 H new ATOM 0 HE2 LYS A 13 10.717 -15.790 22.209 1.00 61.03 H new ATOM 0 HE3 LYS A 13 12.287 -15.466 22.916 1.00 61.03 H new ATOM 0 HZ1 LYS A 13 12.365 -14.870 20.637 1.00 23.22 H new ATOM 0 HZ2 LYS A 13 13.291 -16.284 20.805 1.00 23.22 H new ATOM 0 HZ3 LYS A 13 11.731 -16.365 20.139 1.00 23.22 H new ATOM 213 N PRO A 14 7.156 -16.449 22.947 1.00 35.40 N ATOM 214 CA PRO A 14 5.793 -15.904 22.814 1.00 70.10 C ATOM 215 C PRO A 14 5.211 -16.075 21.396 1.00 74.02 C ATOM 216 O PRO A 14 5.896 -15.853 20.390 1.00 72.34 O ATOM 217 CB PRO A 14 5.967 -14.415 23.160 1.00 73.20 C ATOM 218 CG PRO A 14 7.398 -14.119 22.869 1.00 61.13 C ATOM 219 CD PRO A 14 8.154 -15.382 23.184 1.00 63.10 C ATOM 0 HA PRO A 14 5.087 -16.425 23.460 1.00 70.10 H new ATOM 0 HB2 PRO A 14 5.305 -13.790 22.561 1.00 73.20 H new ATOM 0 HB3 PRO A 14 5.728 -14.222 24.206 1.00 73.20 H new ATOM 0 HG2 PRO A 14 7.533 -13.833 21.826 1.00 61.13 H new ATOM 0 HG3 PRO A 14 7.756 -13.288 23.476 1.00 61.13 H new ATOM 0 HD2 PRO A 14 9.027 -15.498 22.541 1.00 63.10 H new ATOM 0 HD3 PRO A 14 8.513 -15.389 24.213 1.00 63.10 H new ATOM 227 N THR A 15 3.943 -16.474 21.326 1.00 32.43 N ATOM 228 CA THR A 15 3.254 -16.686 20.045 1.00 12.31 C ATOM 229 C THR A 15 2.666 -15.376 19.503 1.00 43.13 C ATOM 230 O THR A 15 1.689 -14.855 20.041 1.00 71.41 O ATOM 231 CB THR A 15 2.117 -17.731 20.190 1.00 12.53 C ATOM 232 OG1 THR A 15 2.634 -18.952 20.747 1.00 63.43 O ATOM 233 CG2 THR A 15 1.468 -18.027 18.843 1.00 11.42 C ATOM 0 H THR A 15 3.364 -16.659 22.145 1.00 32.43 H new ATOM 0 HA THR A 15 3.998 -17.059 19.341 1.00 12.31 H new ATOM 0 HB THR A 15 1.363 -17.313 20.857 1.00 12.53 H new ATOM 0 HG1 THR A 15 1.908 -19.604 20.836 1.00 63.43 H new ATOM 0 HG21 THR A 15 0.675 -18.763 18.975 1.00 11.42 H new ATOM 0 HG22 THR A 15 1.047 -17.109 18.432 1.00 11.42 H new ATOM 0 HG23 THR A 15 2.218 -18.421 18.157 1.00 11.42 H new ATOM 241 N ALA A 16 3.262 -14.846 18.436 1.00 65.43 N ATOM 242 CA ALA A 16 2.829 -13.568 17.858 1.00 62.45 C ATOM 243 C ALA A 16 1.659 -13.754 16.877 1.00 73.12 C ATOM 244 O ALA A 16 1.808 -14.395 15.838 1.00 12.22 O ATOM 245 CB ALA A 16 4.005 -12.880 17.164 1.00 71.32 C ATOM 0 H ALA A 16 4.048 -15.280 17.951 1.00 65.43 H new ATOM 0 HA ALA A 16 2.475 -12.936 18.672 1.00 62.45 H new ATOM 0 HB1 ALA A 16 3.673 -11.933 16.739 1.00 71.32 H new ATOM 0 HB2 ALA A 16 4.797 -12.694 17.889 1.00 71.32 H new ATOM 0 HB3 ALA A 16 4.384 -13.522 16.369 1.00 71.32 H new ATOM 251 N ARG A 17 0.495 -13.196 17.214 1.00 12.34 N ATOM 252 CA ARG A 17 -0.696 -13.296 16.355 1.00 13.31 C ATOM 253 C ARG A 17 -1.071 -11.932 15.753 1.00 54.32 C ATOM 254 O ARG A 17 -0.505 -10.902 16.126 1.00 31.20 O ATOM 255 CB ARG A 17 -1.879 -13.859 17.157 1.00 74.04 C ATOM 256 CG ARG A 17 -1.577 -15.177 17.865 1.00 63.41 C ATOM 257 CD ARG A 17 -2.814 -15.741 18.554 1.00 54.22 C ATOM 258 NE ARG A 17 -3.502 -14.735 19.362 1.00 24.52 N ATOM 259 CZ ARG A 17 -3.925 -14.925 20.578 1.00 14.44 C ATOM 260 NH1 ARG A 17 -3.719 -16.052 21.188 1.00 74.25 N ATOM 261 NH2 ARG A 17 -4.552 -13.975 21.188 1.00 35.34 N ATOM 0 H ARG A 17 0.347 -12.669 18.075 1.00 12.34 H new ATOM 0 HA ARG A 17 -0.460 -13.973 15.534 1.00 13.31 H new ATOM 0 HB2 ARG A 17 -2.186 -13.122 17.899 1.00 74.04 H new ATOM 0 HB3 ARG A 17 -2.724 -14.005 16.484 1.00 74.04 H new ATOM 0 HG2 ARG A 17 -1.201 -15.901 17.142 1.00 63.41 H new ATOM 0 HG3 ARG A 17 -0.788 -15.023 18.601 1.00 63.41 H new ATOM 0 HD2 ARG A 17 -3.500 -16.132 17.803 1.00 54.22 H new ATOM 0 HD3 ARG A 17 -2.524 -16.579 19.189 1.00 54.22 H new ATOM 0 HE ARG A 17 -3.662 -13.819 18.943 1.00 24.52 H new ATOM 0 HH11 ARG A 17 -3.219 -16.804 20.714 1.00 74.25 H new ATOM 0 HH12 ARG A 17 -4.057 -16.185 22.141 1.00 74.25 H new ATOM 0 HH21 ARG A 17 -4.712 -13.085 20.717 1.00 35.34 H new ATOM 0 HH22 ARG A 17 -4.887 -14.115 22.141 1.00 35.34 H new ATOM 275 N GLY A 18 -2.026 -11.932 14.823 1.00 51.13 N ATOM 276 CA GLY A 18 -2.462 -10.691 14.187 1.00 3.42 C ATOM 277 C GLY A 18 -3.814 -10.815 13.488 1.00 40.50 C ATOM 278 O GLY A 18 -4.152 -11.872 12.944 1.00 1.34 O ATOM 0 H GLY A 18 -2.508 -12.769 14.496 1.00 51.13 H new ATOM 0 HA2 GLY A 18 -2.521 -9.906 14.940 1.00 3.42 H new ATOM 0 HA3 GLY A 18 -1.712 -10.380 13.460 1.00 3.42 H new ATOM 282 N GLU A 19 -4.591 -9.733 13.491 1.00 41.22 N ATOM 283 CA GLU A 19 -5.915 -9.731 12.856 1.00 44.02 C ATOM 284 C GLU A 19 -6.199 -8.412 12.129 1.00 42.05 C ATOM 285 O GLU A 19 -5.846 -7.331 12.607 1.00 72.10 O ATOM 286 CB GLU A 19 -7.009 -9.992 13.903 1.00 24.42 C ATOM 287 CG GLU A 19 -8.430 -9.965 13.337 1.00 62.40 C ATOM 288 CD GLU A 19 -9.480 -10.305 14.379 1.00 41.45 C ATOM 289 OE1 GLU A 19 -9.925 -9.392 15.102 1.00 51.41 O ATOM 290 OE2 GLU A 19 -9.851 -11.492 14.489 1.00 53.41 O ATOM 0 H GLU A 19 -4.331 -8.847 13.924 1.00 41.22 H new ATOM 0 HA GLU A 19 -5.920 -10.530 12.115 1.00 44.02 H new ATOM 0 HB2 GLU A 19 -6.831 -10.963 14.365 1.00 24.42 H new ATOM 0 HB3 GLU A 19 -6.929 -9.244 14.692 1.00 24.42 H new ATOM 0 HG2 GLU A 19 -8.636 -8.976 12.929 1.00 62.40 H new ATOM 0 HG3 GLU A 19 -8.501 -10.672 12.510 1.00 62.40 H new ATOM 297 N ALA A 20 -6.846 -8.515 10.970 1.00 15.11 N ATOM 298 CA ALA A 20 -7.224 -7.345 10.174 1.00 31.14 C ATOM 299 C ALA A 20 -8.608 -7.541 9.530 1.00 35.32 C ATOM 300 O ALA A 20 -9.046 -8.676 9.312 1.00 21.54 O ATOM 301 CB ALA A 20 -6.165 -7.083 9.112 1.00 44.24 C ATOM 0 H ALA A 20 -7.123 -9.405 10.556 1.00 15.11 H new ATOM 0 HA ALA A 20 -7.286 -6.478 10.832 1.00 31.14 H new ATOM 0 HB1 ALA A 20 -6.449 -6.212 8.522 1.00 44.24 H new ATOM 0 HB2 ALA A 20 -5.205 -6.897 9.594 1.00 44.24 H new ATOM 0 HB3 ALA A 20 -6.081 -7.952 8.459 1.00 44.24 H new ATOM 307 N GLY A 21 -9.296 -6.438 9.225 1.00 24.15 N ATOM 308 CA GLY A 21 -10.657 -6.523 8.683 1.00 42.01 C ATOM 309 C GLY A 21 -10.858 -5.757 7.375 1.00 71.35 C ATOM 310 O GLY A 21 -11.333 -4.619 7.382 1.00 1.54 O ATOM 0 H GLY A 21 -8.941 -5.489 9.341 1.00 24.15 H new ATOM 0 HA2 GLY A 21 -10.906 -7.571 8.519 1.00 42.01 H new ATOM 0 HA3 GLY A 21 -11.357 -6.141 9.426 1.00 42.01 H new ATOM 314 N SER A 22 -10.510 -6.394 6.251 1.00 44.21 N ATOM 315 CA SER A 22 -10.716 -5.813 4.911 1.00 30.42 C ATOM 316 C SER A 22 -10.177 -6.731 3.808 1.00 34.24 C ATOM 317 O SER A 22 -9.242 -7.507 4.028 1.00 13.41 O ATOM 318 CB SER A 22 -10.042 -4.438 4.776 1.00 30.31 C ATOM 319 OG SER A 22 -10.204 -3.918 3.463 1.00 12.44 O ATOM 0 H SER A 22 -10.081 -7.319 6.239 1.00 44.21 H new ATOM 0 HA SER A 22 -11.794 -5.699 4.794 1.00 30.42 H new ATOM 0 HB2 SER A 22 -10.471 -3.746 5.501 1.00 30.31 H new ATOM 0 HB3 SER A 22 -8.981 -4.525 5.008 1.00 30.31 H new ATOM 0 HG SER A 22 -9.330 -3.660 3.103 1.00 12.44 H new ATOM 325 N ARG A 23 -10.758 -6.627 2.612 1.00 72.35 N ATOM 326 CA ARG A 23 -10.305 -7.411 1.456 1.00 54.11 C ATOM 327 C ARG A 23 -8.824 -7.127 1.154 1.00 52.03 C ATOM 328 O ARG A 23 -8.050 -8.036 0.844 1.00 53.42 O ATOM 329 CB ARG A 23 -11.154 -7.080 0.216 1.00 35.02 C ATOM 330 CG ARG A 23 -10.771 -7.880 -1.030 1.00 11.11 C ATOM 331 CD ARG A 23 -11.260 -9.324 -0.963 1.00 41.31 C ATOM 332 NE ARG A 23 -12.700 -9.421 -1.205 1.00 14.43 N ATOM 333 CZ ARG A 23 -13.430 -10.471 -0.942 1.00 4.42 C ATOM 334 NH1 ARG A 23 -12.909 -11.519 -0.387 1.00 73.13 N ATOM 335 NH2 ARG A 23 -14.691 -10.467 -1.235 1.00 15.11 N ATOM 0 H ARG A 23 -11.544 -6.008 2.416 1.00 72.35 H new ATOM 0 HA ARG A 23 -10.421 -8.467 1.699 1.00 54.11 H new ATOM 0 HB2 ARG A 23 -12.203 -7.265 0.446 1.00 35.02 H new ATOM 0 HB3 ARG A 23 -11.059 -6.017 -0.004 1.00 35.02 H new ATOM 0 HG2 ARG A 23 -11.191 -7.397 -1.913 1.00 11.11 H new ATOM 0 HG3 ARG A 23 -9.687 -7.871 -1.146 1.00 11.11 H new ATOM 0 HD2 ARG A 23 -10.726 -9.923 -1.701 1.00 41.31 H new ATOM 0 HD3 ARG A 23 -11.027 -9.742 0.016 1.00 41.31 H new ATOM 0 HE ARG A 23 -13.167 -8.609 -1.609 1.00 14.43 H new ATOM 0 HH11 ARG A 23 -11.917 -11.531 -0.150 1.00 73.13 H new ATOM 0 HH12 ARG A 23 -13.491 -12.333 -0.187 1.00 73.13 H new ATOM 0 HH21 ARG A 23 -15.111 -9.645 -1.670 1.00 15.11 H new ATOM 0 HH22 ARG A 23 -15.265 -11.285 -1.031 1.00 15.11 H new ATOM 349 N ASP A 24 -8.443 -5.855 1.259 1.00 2.22 N ATOM 350 CA ASP A 24 -7.064 -5.423 0.990 1.00 21.22 C ATOM 351 C ASP A 24 -6.084 -6.037 2.003 1.00 31.55 C ATOM 352 O ASP A 24 -4.991 -6.485 1.644 1.00 54.24 O ATOM 353 CB ASP A 24 -6.992 -3.893 1.037 1.00 70.42 C ATOM 354 CG ASP A 24 -8.160 -3.259 0.303 1.00 30.23 C ATOM 355 OD1 ASP A 24 -8.178 -3.301 -0.943 1.00 12.24 O ATOM 356 OD2 ASP A 24 -9.083 -2.755 0.974 1.00 11.32 O ATOM 0 H ASP A 24 -9.071 -5.098 1.530 1.00 2.22 H new ATOM 0 HA ASP A 24 -6.775 -5.770 -0.002 1.00 21.22 H new ATOM 0 HB2 ASP A 24 -6.989 -3.559 2.075 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -6.055 -3.558 0.591 1.00 70.42 H new ATOM 361 N GLU A 25 -6.499 -6.064 3.268 1.00 33.44 N ATOM 362 CA GLU A 25 -5.709 -6.668 4.348 1.00 11.30 C ATOM 363 C GLU A 25 -5.372 -8.136 4.035 1.00 33.42 C ATOM 364 O GLU A 25 -4.254 -8.598 4.279 1.00 40.13 O ATOM 365 CB GLU A 25 -6.491 -6.580 5.668 1.00 5.13 C ATOM 366 CG GLU A 25 -6.846 -5.152 6.094 1.00 12.35 C ATOM 367 CD GLU A 25 -5.699 -4.401 6.760 1.00 72.31 C ATOM 368 OE1 GLU A 25 -4.604 -4.317 6.172 1.00 53.14 O ATOM 369 OE2 GLU A 25 -5.902 -3.866 7.873 1.00 23.33 O ATOM 0 H GLU A 25 -7.388 -5.670 3.576 1.00 33.44 H new ATOM 0 HA GLU A 25 -4.772 -6.118 4.439 1.00 11.30 H new ATOM 0 HB2 GLU A 25 -7.410 -7.158 5.572 1.00 5.13 H new ATOM 0 HB3 GLU A 25 -5.902 -7.047 6.458 1.00 5.13 H new ATOM 0 HG2 GLU A 25 -7.172 -4.593 5.217 1.00 12.35 H new ATOM 0 HG3 GLU A 25 -7.691 -5.188 6.782 1.00 12.35 H new ATOM 376 N ARG A 26 -6.342 -8.860 3.474 1.00 44.31 N ATOM 377 CA ARG A 26 -6.140 -10.260 3.078 1.00 45.34 C ATOM 378 C ARG A 26 -4.998 -10.389 2.056 1.00 55.24 C ATOM 379 O ARG A 26 -4.182 -11.309 2.134 1.00 42.40 O ATOM 380 CB ARG A 26 -7.442 -10.843 2.508 1.00 63.50 C ATOM 381 CG ARG A 26 -8.580 -10.904 3.524 1.00 3.22 C ATOM 382 CD ARG A 26 -8.248 -11.845 4.677 1.00 20.52 C ATOM 383 NE ARG A 26 -9.283 -11.845 5.712 1.00 3.04 N ATOM 384 CZ ARG A 26 -9.453 -12.809 6.579 1.00 72.23 C ATOM 385 NH1 ARG A 26 -8.709 -13.869 6.544 1.00 42.40 N ATOM 386 NH2 ARG A 26 -10.372 -12.710 7.480 1.00 34.42 N ATOM 0 H ARG A 26 -7.278 -8.502 3.282 1.00 44.31 H new ATOM 0 HA ARG A 26 -5.859 -10.827 3.965 1.00 45.34 H new ATOM 0 HB2 ARG A 26 -7.758 -10.240 1.657 1.00 63.50 H new ATOM 0 HB3 ARG A 26 -7.247 -11.848 2.133 1.00 63.50 H new ATOM 0 HG2 ARG A 26 -8.776 -9.905 3.913 1.00 3.22 H new ATOM 0 HG3 ARG A 26 -9.492 -11.239 3.031 1.00 3.22 H new ATOM 0 HD2 ARG A 26 -8.123 -12.857 4.292 1.00 20.52 H new ATOM 0 HD3 ARG A 26 -7.296 -11.552 5.119 1.00 20.52 H new ATOM 0 HE ARG A 26 -9.911 -11.043 5.760 1.00 3.04 H new ATOM 0 HH11 ARG A 26 -7.981 -13.958 5.835 1.00 42.40 H new ATOM 0 HH12 ARG A 26 -8.851 -14.614 7.226 1.00 42.40 H new ATOM 0 HH21 ARG A 26 -10.965 -11.881 7.515 1.00 34.42 H new ATOM 0 HH22 ARG A 26 -10.506 -13.461 8.157 1.00 34.42 H new ATOM 400 N ARG A 27 -4.941 -9.453 1.108 1.00 32.30 N ATOM 401 CA ARG A 27 -3.843 -9.396 0.133 1.00 30.14 C ATOM 402 C ARG A 27 -2.501 -9.132 0.837 1.00 35.05 C ATOM 403 O ARG A 27 -1.491 -9.781 0.547 1.00 62.25 O ATOM 404 CB ARG A 27 -4.111 -8.290 -0.902 1.00 24.31 C ATOM 405 CG ARG A 27 -5.327 -8.537 -1.796 1.00 14.21 C ATOM 406 CD ARG A 27 -5.018 -9.497 -2.947 1.00 61.23 C ATOM 407 NE ARG A 27 -4.686 -10.851 -2.495 1.00 53.33 N ATOM 408 CZ ARG A 27 -4.123 -11.757 -3.253 1.00 54.41 C ATOM 409 NH1 ARG A 27 -3.858 -11.504 -4.493 1.00 33.31 N ATOM 410 NH2 ARG A 27 -3.855 -12.930 -2.777 1.00 41.35 N ATOM 0 H ARG A 27 -5.642 -8.721 0.992 1.00 32.30 H new ATOM 0 HA ARG A 27 -3.788 -10.359 -0.374 1.00 30.14 H new ATOM 0 HB2 ARG A 27 -4.248 -7.345 -0.377 1.00 24.31 H new ATOM 0 HB3 ARG A 27 -3.229 -8.179 -1.533 1.00 24.31 H new ATOM 0 HG2 ARG A 27 -6.140 -8.944 -1.195 1.00 14.21 H new ATOM 0 HG3 ARG A 27 -5.675 -7.587 -2.202 1.00 14.21 H new ATOM 0 HD2 ARG A 27 -5.879 -9.544 -3.614 1.00 61.23 H new ATOM 0 HD3 ARG A 27 -4.186 -9.101 -3.529 1.00 61.23 H new ATOM 0 HE ARG A 27 -4.907 -11.102 -1.531 1.00 53.33 H new ATOM 0 HH11 ARG A 27 -4.088 -10.592 -4.888 1.00 33.31 H new ATOM 0 HH12 ARG A 27 -3.419 -12.216 -5.076 1.00 33.31 H new ATOM 0 HH21 ARG A 27 -4.083 -13.151 -1.808 1.00 41.35 H new ATOM 0 HH22 ARG A 27 -3.416 -13.633 -3.371 1.00 41.35 H new ATOM 424 N ALA A 28 -2.510 -8.182 1.771 1.00 24.02 N ATOM 425 CA ALA A 28 -1.307 -7.802 2.522 1.00 0.50 C ATOM 426 C ALA A 28 -0.710 -8.989 3.297 1.00 41.45 C ATOM 427 O ALA A 28 0.450 -9.357 3.092 1.00 42.41 O ATOM 428 CB ALA A 28 -1.626 -6.656 3.476 1.00 62.35 C ATOM 0 H ALA A 28 -3.344 -7.655 2.030 1.00 24.02 H new ATOM 0 HA ALA A 28 -0.559 -7.476 1.800 1.00 0.50 H new ATOM 0 HB1 ALA A 28 -0.727 -6.382 4.028 1.00 62.35 H new ATOM 0 HB2 ALA A 28 -1.979 -5.796 2.907 1.00 62.35 H new ATOM 0 HB3 ALA A 28 -2.400 -6.970 4.176 1.00 62.35 H new ATOM 434 N LEU A 29 -1.507 -9.590 4.180 1.00 22.05 N ATOM 435 CA LEU A 29 -1.040 -10.720 4.997 1.00 4.31 C ATOM 436 C LEU A 29 -0.713 -11.953 4.134 1.00 63.13 C ATOM 437 O LEU A 29 0.140 -12.767 4.496 1.00 15.21 O ATOM 438 CB LEU A 29 -2.071 -11.057 6.096 1.00 20.14 C ATOM 439 CG LEU A 29 -3.500 -11.401 5.621 1.00 54.24 C ATOM 440 CD1 LEU A 29 -3.615 -12.870 5.220 1.00 54.10 C ATOM 441 CD2 LEU A 29 -4.528 -11.053 6.699 1.00 40.53 C ATOM 0 H LEU A 29 -2.475 -9.318 4.351 1.00 22.05 H new ATOM 0 HA LEU A 29 -0.112 -10.419 5.482 1.00 4.31 H new ATOM 0 HB2 LEU A 29 -1.691 -11.901 6.672 1.00 20.14 H new ATOM 0 HB3 LEU A 29 -2.133 -10.208 6.777 1.00 20.14 H new ATOM 0 HG LEU A 29 -3.710 -10.798 4.738 1.00 54.24 H new ATOM 0 HD11 LEU A 29 -4.633 -13.079 4.891 1.00 54.10 H new ATOM 0 HD12 LEU A 29 -2.920 -13.081 4.407 1.00 54.10 H new ATOM 0 HD13 LEU A 29 -3.374 -13.501 6.076 1.00 54.10 H new ATOM 0 HD21 LEU A 29 -5.527 -11.303 6.343 1.00 40.53 H new ATOM 0 HD22 LEU A 29 -4.312 -11.621 7.604 1.00 40.53 H new ATOM 0 HD23 LEU A 29 -4.478 -9.987 6.919 1.00 40.53 H new ATOM 453 N ALA A 30 -1.386 -12.083 2.989 1.00 64.53 N ATOM 454 CA ALA A 30 -1.099 -13.167 2.042 1.00 71.31 C ATOM 455 C ALA A 30 0.316 -13.036 1.457 1.00 54.35 C ATOM 456 O ALA A 30 1.003 -14.034 1.230 1.00 11.31 O ATOM 457 CB ALA A 30 -2.133 -13.180 0.924 1.00 14.20 C ATOM 0 H ALA A 30 -2.132 -11.454 2.694 1.00 64.53 H new ATOM 0 HA ALA A 30 -1.153 -14.110 2.585 1.00 71.31 H new ATOM 0 HB1 ALA A 30 -1.907 -13.989 0.229 1.00 14.20 H new ATOM 0 HB2 ALA A 30 -3.126 -13.332 1.348 1.00 14.20 H new ATOM 0 HB3 ALA A 30 -2.107 -12.228 0.393 1.00 14.20 H new ATOM 463 N MET A 31 0.743 -11.795 1.210 1.00 44.35 N ATOM 464 CA MET A 31 2.094 -11.522 0.698 1.00 72.22 C ATOM 465 C MET A 31 3.046 -11.096 1.830 1.00 72.33 C ATOM 466 O MET A 31 4.150 -10.610 1.577 1.00 11.41 O ATOM 467 CB MET A 31 2.033 -10.438 -0.383 1.00 54.31 C ATOM 468 CG MET A 31 1.199 -10.831 -1.597 1.00 42.05 C ATOM 469 SD MET A 31 1.852 -12.278 -2.467 1.00 54.11 S ATOM 470 CE MET A 31 3.431 -11.652 -3.029 1.00 62.34 C ATOM 0 H MET A 31 0.174 -10.961 1.356 1.00 44.35 H new ATOM 0 HA MET A 31 2.486 -12.441 0.263 1.00 72.22 H new ATOM 0 HB2 MET A 31 1.620 -9.527 0.051 1.00 54.31 H new ATOM 0 HB3 MET A 31 3.047 -10.205 -0.709 1.00 54.31 H new ATOM 0 HG2 MET A 31 0.177 -11.037 -1.278 1.00 42.05 H new ATOM 0 HG3 MET A 31 1.154 -9.989 -2.288 1.00 42.05 H new ATOM 0 HE1 MET A 31 3.817 -12.296 -3.819 1.00 62.34 H new ATOM 0 HE2 MET A 31 3.305 -10.640 -3.414 1.00 62.34 H new ATOM 0 HE3 MET A 31 4.134 -11.638 -2.196 1.00 62.34 H new ATOM 480 N LYS A 32 2.593 -11.273 3.077 1.00 24.12 N ATOM 481 CA LYS A 32 3.415 -11.032 4.273 1.00 72.23 C ATOM 482 C LYS A 32 3.989 -9.603 4.319 1.00 13.31 C ATOM 483 O LYS A 32 5.180 -9.398 4.567 1.00 1.42 O ATOM 484 CB LYS A 32 4.529 -12.083 4.350 1.00 44.21 C ATOM 485 CG LYS A 32 3.990 -13.505 4.480 1.00 64.15 C ATOM 486 CD LYS A 32 5.093 -14.554 4.419 1.00 52.34 C ATOM 487 CE LYS A 32 4.530 -15.966 4.536 1.00 42.43 C ATOM 488 NZ LYS A 32 5.583 -16.995 4.368 1.00 13.30 N ATOM 0 H LYS A 32 1.646 -11.588 3.287 1.00 24.12 H new ATOM 0 HA LYS A 32 2.771 -11.125 5.147 1.00 72.23 H new ATOM 0 HB2 LYS A 32 5.150 -12.014 3.457 1.00 44.21 H new ATOM 0 HB3 LYS A 32 5.172 -11.863 5.202 1.00 44.21 H new ATOM 0 HG2 LYS A 32 3.453 -13.602 5.423 1.00 64.15 H new ATOM 0 HG3 LYS A 32 3.271 -13.692 3.683 1.00 64.15 H new ATOM 0 HD2 LYS A 32 5.638 -14.456 3.480 1.00 52.34 H new ATOM 0 HD3 LYS A 32 5.808 -14.379 5.223 1.00 52.34 H new ATOM 0 HE2 LYS A 32 4.055 -16.088 5.509 1.00 42.43 H new ATOM 0 HE3 LYS A 32 3.756 -16.112 3.783 1.00 42.43 H new ATOM 0 HZ1 LYS A 32 5.160 -17.941 4.454 1.00 13.30 H new ATOM 0 HZ2 LYS A 32 6.020 -16.895 3.429 1.00 13.30 H new ATOM 0 HZ3 LYS A 32 6.309 -16.872 5.102 1.00 13.30 H new ATOM 502 N ILE A 33 3.119 -8.620 4.085 1.00 41.42 N ATOM 503 CA ILE A 33 3.487 -7.204 4.192 1.00 1.30 C ATOM 504 C ILE A 33 3.587 -6.770 5.672 1.00 44.54 C ATOM 505 O ILE A 33 2.608 -6.842 6.416 1.00 41.51 O ATOM 506 CB ILE A 33 2.459 -6.308 3.452 1.00 64.24 C ATOM 507 CG1 ILE A 33 2.378 -6.690 1.960 1.00 4.01 C ATOM 508 CG2 ILE A 33 2.805 -4.827 3.611 1.00 13.23 C ATOM 509 CD1 ILE A 33 3.695 -6.567 1.216 1.00 4.32 C ATOM 0 H ILE A 33 2.147 -8.778 3.818 1.00 41.42 H new ATOM 0 HA ILE A 33 4.463 -7.081 3.723 1.00 1.30 H new ATOM 0 HB ILE A 33 1.481 -6.476 3.904 1.00 64.24 H new ATOM 0 HG12 ILE A 33 2.021 -7.717 1.878 1.00 4.01 H new ATOM 0 HG13 ILE A 33 1.637 -6.055 1.473 1.00 4.01 H new ATOM 0 HG21 ILE A 33 2.068 -4.222 3.082 1.00 13.23 H new ATOM 0 HG22 ILE A 33 2.799 -4.564 4.669 1.00 13.23 H new ATOM 0 HG23 ILE A 33 3.795 -4.638 3.195 1.00 13.23 H new ATOM 0 HD11 ILE A 33 3.552 -6.854 0.174 1.00 4.32 H new ATOM 0 HD12 ILE A 33 4.045 -5.536 1.264 1.00 4.32 H new ATOM 0 HD13 ILE A 33 4.435 -7.223 1.675 1.00 4.32 H new ATOM 521 N PRO A 34 4.773 -6.306 6.122 1.00 45.34 N ATOM 522 CA PRO A 34 5.013 -5.957 7.537 1.00 24.13 C ATOM 523 C PRO A 34 4.529 -4.545 7.940 1.00 1.11 C ATOM 524 O PRO A 34 5.093 -3.929 8.850 1.00 45.54 O ATOM 525 CB PRO A 34 6.537 -6.056 7.635 1.00 22.21 C ATOM 526 CG PRO A 34 7.025 -5.634 6.288 1.00 42.11 C ATOM 527 CD PRO A 34 5.987 -6.106 5.298 1.00 15.13 C ATOM 0 HA PRO A 34 4.459 -6.609 8.212 1.00 24.13 H new ATOM 0 HB2 PRO A 34 6.927 -5.408 8.420 1.00 22.21 H new ATOM 0 HB3 PRO A 34 6.855 -7.071 7.872 1.00 22.21 H new ATOM 0 HG2 PRO A 34 7.146 -4.552 6.239 1.00 42.11 H new ATOM 0 HG3 PRO A 34 7.998 -6.074 6.071 1.00 42.11 H new ATOM 0 HD2 PRO A 34 5.820 -5.369 4.513 1.00 15.13 H new ATOM 0 HD3 PRO A 34 6.294 -7.030 4.808 1.00 15.13 H new ATOM 535 N PHE A 35 3.488 -4.039 7.278 1.00 34.35 N ATOM 536 CA PHE A 35 2.900 -2.736 7.635 1.00 73.25 C ATOM 537 C PHE A 35 1.437 -2.616 7.157 1.00 13.52 C ATOM 538 O PHE A 35 1.079 -3.132 6.097 1.00 60.25 O ATOM 539 CB PHE A 35 3.762 -1.575 7.094 1.00 44.02 C ATOM 540 CG PHE A 35 4.189 -1.713 5.651 1.00 52.23 C ATOM 541 CD1 PHE A 35 3.373 -1.268 4.621 1.00 21.43 C ATOM 542 CD2 PHE A 35 5.416 -2.277 5.327 1.00 22.22 C ATOM 543 CE1 PHE A 35 3.772 -1.388 3.301 1.00 4.24 C ATOM 544 CE2 PHE A 35 5.816 -2.396 4.011 1.00 53.04 C ATOM 545 CZ PHE A 35 4.994 -1.951 2.997 1.00 51.31 C ATOM 0 H PHE A 35 3.032 -4.505 6.494 1.00 34.35 H new ATOM 0 HA PHE A 35 2.888 -2.670 8.723 1.00 73.25 H new ATOM 0 HB2 PHE A 35 3.203 -0.646 7.204 1.00 44.02 H new ATOM 0 HB3 PHE A 35 4.654 -1.486 7.714 1.00 44.02 H new ATOM 0 HD1 PHE A 35 2.416 -0.823 4.852 1.00 21.43 H new ATOM 0 HD2 PHE A 35 6.066 -2.627 6.115 1.00 22.22 H new ATOM 0 HE1 PHE A 35 3.126 -1.040 2.508 1.00 4.24 H new ATOM 0 HE2 PHE A 35 6.773 -2.838 3.776 1.00 53.04 H new ATOM 0 HZ PHE A 35 5.306 -2.043 1.967 1.00 51.31 H new ATOM 555 N PRO A 36 0.576 -1.929 7.947 1.00 45.14 N ATOM 556 CA PRO A 36 -0.880 -1.846 7.680 1.00 21.11 C ATOM 557 C PRO A 36 -1.241 -1.065 6.401 1.00 51.43 C ATOM 558 O PRO A 36 -0.573 -0.093 6.033 1.00 73.30 O ATOM 559 CB PRO A 36 -1.422 -1.125 8.926 1.00 63.32 C ATOM 560 CG PRO A 36 -0.265 -0.341 9.442 1.00 11.33 C ATOM 561 CD PRO A 36 0.952 -1.182 9.163 1.00 44.33 C ATOM 0 HA PRO A 36 -1.305 -2.835 7.508 1.00 21.11 H new ATOM 0 HB2 PRO A 36 -2.260 -0.475 8.674 1.00 63.32 H new ATOM 0 HB3 PRO A 36 -1.782 -1.836 9.670 1.00 63.32 H new ATOM 0 HG2 PRO A 36 -0.195 0.627 8.945 1.00 11.33 H new ATOM 0 HG3 PRO A 36 -0.369 -0.145 10.509 1.00 11.33 H new ATOM 0 HD2 PRO A 36 1.837 -0.567 9.000 1.00 44.33 H new ATOM 0 HD3 PRO A 36 1.177 -1.852 9.993 1.00 44.33 H new ATOM 569 N THR A 37 -2.333 -1.479 5.755 1.00 40.24 N ATOM 570 CA THR A 37 -2.775 -0.878 4.488 1.00 61.54 C ATOM 571 C THR A 37 -3.350 0.534 4.676 1.00 35.25 C ATOM 572 O THR A 37 -3.171 1.399 3.815 1.00 30.24 O ATOM 573 CB THR A 37 -3.834 -1.757 3.776 1.00 53.23 C ATOM 574 OG1 THR A 37 -5.009 -1.884 4.594 1.00 2.44 O ATOM 575 CG2 THR A 37 -3.276 -3.144 3.459 1.00 63.34 C ATOM 0 H THR A 37 -2.933 -2.233 6.089 1.00 40.24 H new ATOM 0 HA THR A 37 -1.881 -0.811 3.868 1.00 61.54 H new ATOM 0 HB THR A 37 -4.098 -1.268 2.838 1.00 53.23 H new ATOM 0 HG1 THR A 37 -4.928 -2.679 5.162 1.00 2.44 H new ATOM 0 HG21 THR A 37 -4.041 -3.739 2.960 1.00 63.34 H new ATOM 0 HG22 THR A 37 -2.409 -3.047 2.806 1.00 63.34 H new ATOM 0 HG23 THR A 37 -2.980 -3.637 4.385 1.00 63.34 H new ATOM 583 N ASP A 38 -4.038 0.775 5.796 1.00 31.34 N ATOM 584 CA ASP A 38 -4.607 2.102 6.070 1.00 32.03 C ATOM 585 C ASP A 38 -3.514 3.186 6.048 1.00 73.13 C ATOM 586 O ASP A 38 -3.704 4.265 5.483 1.00 20.24 O ATOM 587 CB ASP A 38 -5.365 2.120 7.410 1.00 4.33 C ATOM 588 CG ASP A 38 -4.477 1.842 8.614 1.00 50.53 C ATOM 589 OD1 ASP A 38 -3.808 2.780 9.099 1.00 72.31 O ATOM 590 OD2 ASP A 38 -4.453 0.688 9.090 1.00 2.24 O ATOM 0 H ASP A 38 -4.214 0.079 6.521 1.00 31.34 H new ATOM 0 HA ASP A 38 -5.322 2.323 5.278 1.00 32.03 H new ATOM 0 HB2 ASP A 38 -5.841 3.093 7.536 1.00 4.33 H new ATOM 0 HB3 ASP A 38 -6.162 1.377 7.377 1.00 4.33 H new ATOM 595 N LYS A 39 -2.365 2.881 6.649 1.00 54.51 N ATOM 596 CA LYS A 39 -1.219 3.790 6.626 1.00 35.43 C ATOM 597 C LYS A 39 -0.761 4.041 5.181 1.00 52.35 C ATOM 598 O LYS A 39 -0.594 5.185 4.766 1.00 51.00 O ATOM 599 CB LYS A 39 -0.068 3.216 7.471 1.00 34.54 C ATOM 600 CG LYS A 39 1.172 4.108 7.522 1.00 55.03 C ATOM 601 CD LYS A 39 2.215 3.588 8.516 1.00 70.34 C ATOM 602 CE LYS A 39 1.695 3.623 9.951 1.00 44.13 C ATOM 603 NZ LYS A 39 2.711 3.156 10.933 1.00 73.43 N ATOM 0 H LYS A 39 -2.202 2.012 7.158 1.00 54.51 H new ATOM 0 HA LYS A 39 -1.521 4.744 7.057 1.00 35.43 H new ATOM 0 HB2 LYS A 39 -0.425 3.050 8.487 1.00 34.54 H new ATOM 0 HB3 LYS A 39 0.214 2.243 7.069 1.00 34.54 H new ATOM 0 HG2 LYS A 39 1.617 4.167 6.529 1.00 55.03 H new ATOM 0 HG3 LYS A 39 0.879 5.120 7.801 1.00 55.03 H new ATOM 0 HD2 LYS A 39 2.490 2.566 8.254 1.00 70.34 H new ATOM 0 HD3 LYS A 39 3.120 4.191 8.442 1.00 70.34 H new ATOM 0 HE2 LYS A 39 1.393 4.640 10.201 1.00 44.13 H new ATOM 0 HE3 LYS A 39 0.805 2.998 10.028 1.00 44.13 H new ATOM 0 HZ1 LYS A 39 2.312 3.198 11.892 1.00 73.43 H new ATOM 0 HZ2 LYS A 39 2.982 2.176 10.713 1.00 73.43 H new ATOM 0 HZ3 LYS A 39 3.551 3.767 10.881 1.00 73.43 H new ATOM 617 N ILE A 40 -0.595 2.957 4.420 1.00 40.43 N ATOM 618 CA ILE A 40 -0.204 3.033 3.003 1.00 64.23 C ATOM 619 C ILE A 40 -1.071 4.040 2.224 1.00 64.43 C ATOM 620 O ILE A 40 -0.562 4.871 1.467 1.00 5.31 O ATOM 621 CB ILE A 40 -0.330 1.639 2.323 1.00 51.41 C ATOM 622 CG1 ILE A 40 0.568 0.607 3.025 1.00 63.34 C ATOM 623 CG2 ILE A 40 0.008 1.721 0.833 1.00 31.34 C ATOM 624 CD1 ILE A 40 0.401 -0.808 2.501 1.00 62.03 C ATOM 0 H ILE A 40 -0.726 2.005 4.762 1.00 40.43 H new ATOM 0 HA ILE A 40 0.833 3.368 2.980 1.00 64.23 H new ATOM 0 HB ILE A 40 -1.366 1.314 2.417 1.00 51.41 H new ATOM 0 HG12 ILE A 40 1.609 0.907 2.909 1.00 63.34 H new ATOM 0 HG13 ILE A 40 0.351 0.617 4.093 1.00 63.34 H new ATOM 0 HG21 ILE A 40 -0.088 0.733 0.383 1.00 31.34 H new ATOM 0 HG22 ILE A 40 -0.678 2.412 0.342 1.00 31.34 H new ATOM 0 HG23 ILE A 40 1.031 2.077 0.711 1.00 31.34 H new ATOM 0 HD11 ILE A 40 1.067 -1.478 3.045 1.00 62.03 H new ATOM 0 HD12 ILE A 40 -0.631 -1.129 2.642 1.00 62.03 H new ATOM 0 HD13 ILE A 40 0.647 -0.834 1.440 1.00 62.03 H new ATOM 636 N VAL A 41 -2.384 3.957 2.427 1.00 42.43 N ATOM 637 CA VAL A 41 -3.340 4.807 1.708 1.00 3.02 C ATOM 638 C VAL A 41 -3.278 6.277 2.164 1.00 23.42 C ATOM 639 O VAL A 41 -3.346 7.194 1.342 1.00 24.31 O ATOM 640 CB VAL A 41 -4.789 4.280 1.880 1.00 74.13 C ATOM 641 CG1 VAL A 41 -5.788 5.146 1.108 1.00 53.24 C ATOM 642 CG2 VAL A 41 -4.884 2.819 1.442 1.00 61.11 C ATOM 0 H VAL A 41 -2.815 3.308 3.086 1.00 42.43 H new ATOM 0 HA VAL A 41 -3.056 4.765 0.656 1.00 3.02 H new ATOM 0 HB VAL A 41 -5.046 4.339 2.938 1.00 74.13 H new ATOM 0 HG11 VAL A 41 -6.795 4.752 1.247 1.00 53.24 H new ATOM 0 HG12 VAL A 41 -5.744 6.170 1.479 1.00 53.24 H new ATOM 0 HG13 VAL A 41 -5.537 5.133 0.047 1.00 53.24 H new ATOM 0 HG21 VAL A 41 -5.908 2.467 1.570 1.00 61.11 H new ATOM 0 HG22 VAL A 41 -4.599 2.734 0.393 1.00 61.11 H new ATOM 0 HG23 VAL A 41 -4.213 2.212 2.050 1.00 61.11 H new ATOM 652 N ASN A 42 -3.142 6.501 3.471 1.00 73.01 N ATOM 653 CA ASN A 42 -3.178 7.866 4.024 1.00 73.20 C ATOM 654 C ASN A 42 -1.790 8.528 4.089 1.00 2.24 C ATOM 655 O ASN A 42 -1.676 9.691 4.488 1.00 14.12 O ATOM 656 CB ASN A 42 -3.825 7.870 5.413 1.00 53.53 C ATOM 657 CG ASN A 42 -5.299 7.507 5.361 1.00 31.03 C ATOM 658 OD1 ASN A 42 -6.154 8.356 5.132 1.00 30.32 O ATOM 659 ND2 ASN A 42 -5.616 6.249 5.577 1.00 25.42 N ATOM 0 H ASN A 42 -3.007 5.766 4.166 1.00 73.01 H new ATOM 0 HA ASN A 42 -3.782 8.458 3.337 1.00 73.20 H new ATOM 0 HB2 ASN A 42 -3.301 7.164 6.058 1.00 53.53 H new ATOM 0 HB3 ASN A 42 -3.711 8.857 5.862 1.00 53.53 H new ATOM 0 HD21 ASN A 42 -6.594 5.959 5.556 1.00 25.42 H new ATOM 0 HD22 ASN A 42 -4.884 5.564 5.765 1.00 25.42 H new ATOM 666 N LEU A 43 -0.739 7.802 3.709 1.00 11.24 N ATOM 667 CA LEU A 43 0.604 8.395 3.607 1.00 5.30 C ATOM 668 C LEU A 43 0.731 9.274 2.349 1.00 30.03 C ATOM 669 O LEU A 43 0.129 8.980 1.312 1.00 21.33 O ATOM 670 CB LEU A 43 1.692 7.304 3.573 1.00 33.01 C ATOM 671 CG LEU A 43 2.052 6.673 4.928 1.00 72.24 C ATOM 672 CD1 LEU A 43 3.128 5.604 4.759 1.00 64.20 C ATOM 673 CD2 LEU A 43 2.506 7.747 5.917 1.00 33.52 C ATOM 0 H LEU A 43 -0.785 6.812 3.468 1.00 11.24 H new ATOM 0 HA LEU A 43 0.747 9.016 4.492 1.00 5.30 H new ATOM 0 HB2 LEU A 43 1.364 6.511 2.901 1.00 33.01 H new ATOM 0 HB3 LEU A 43 2.597 7.733 3.142 1.00 33.01 H new ATOM 0 HG LEU A 43 1.159 6.193 5.329 1.00 72.24 H new ATOM 0 HD11 LEU A 43 3.367 5.171 5.731 1.00 64.20 H new ATOM 0 HD12 LEU A 43 2.763 4.822 4.093 1.00 64.20 H new ATOM 0 HD13 LEU A 43 4.024 6.054 4.332 1.00 64.20 H new ATOM 0 HD21 LEU A 43 2.756 7.281 6.870 1.00 33.52 H new ATOM 0 HD22 LEU A 43 3.383 8.258 5.521 1.00 33.52 H new ATOM 0 HD23 LEU A 43 1.702 8.468 6.066 1.00 33.52 H new ATOM 685 N PRO A 44 1.503 10.376 2.432 1.00 61.14 N ATOM 686 CA PRO A 44 1.844 11.189 1.256 1.00 74.14 C ATOM 687 C PRO A 44 2.576 10.371 0.183 1.00 45.35 C ATOM 688 O PRO A 44 3.137 9.317 0.478 1.00 31.24 O ATOM 689 CB PRO A 44 2.785 12.271 1.812 1.00 11.21 C ATOM 690 CG PRO A 44 2.521 12.311 3.279 1.00 70.40 C ATOM 691 CD PRO A 44 2.076 10.926 3.673 1.00 3.11 C ATOM 0 HA PRO A 44 0.951 11.588 0.774 1.00 74.14 H new ATOM 0 HB2 PRO A 44 3.828 12.028 1.607 1.00 11.21 H new ATOM 0 HB3 PRO A 44 2.587 13.239 1.351 1.00 11.21 H new ATOM 0 HG2 PRO A 44 3.418 12.600 3.827 1.00 70.40 H new ATOM 0 HG3 PRO A 44 1.752 13.047 3.515 1.00 70.40 H new ATOM 0 HD2 PRO A 44 2.911 10.323 4.030 1.00 3.11 H new ATOM 0 HD3 PRO A 44 1.339 10.956 4.475 1.00 3.11 H new ATOM 699 N VAL A 45 2.586 10.863 -1.053 1.00 64.43 N ATOM 700 CA VAL A 45 3.325 10.199 -2.133 1.00 44.51 C ATOM 701 C VAL A 45 4.809 10.022 -1.758 1.00 14.33 C ATOM 702 O VAL A 45 5.405 8.974 -2.006 1.00 53.25 O ATOM 703 CB VAL A 45 3.202 10.985 -3.468 1.00 5.05 C ATOM 704 CG1 VAL A 45 3.705 12.421 -3.321 1.00 60.30 C ATOM 705 CG2 VAL A 45 3.936 10.261 -4.599 1.00 12.44 C ATOM 0 H VAL A 45 2.096 11.712 -1.334 1.00 64.43 H new ATOM 0 HA VAL A 45 2.881 9.214 -2.274 1.00 44.51 H new ATOM 0 HB VAL A 45 2.144 11.032 -3.726 1.00 5.05 H new ATOM 0 HG11 VAL A 45 3.604 12.941 -4.274 1.00 60.30 H new ATOM 0 HG12 VAL A 45 3.117 12.937 -2.562 1.00 60.30 H new ATOM 0 HG13 VAL A 45 4.753 12.411 -3.023 1.00 60.30 H new ATOM 0 HG21 VAL A 45 3.835 10.831 -5.522 1.00 12.44 H new ATOM 0 HG22 VAL A 45 4.992 10.166 -4.345 1.00 12.44 H new ATOM 0 HG23 VAL A 45 3.505 9.269 -4.736 1.00 12.44 H new ATOM 715 N ASP A 46 5.378 11.046 -1.123 1.00 72.13 N ATOM 716 CA ASP A 46 6.780 11.025 -0.701 1.00 33.12 C ATOM 717 C ASP A 46 7.023 9.992 0.411 1.00 32.33 C ATOM 718 O ASP A 46 7.897 9.131 0.292 1.00 52.23 O ATOM 719 CB ASP A 46 7.198 12.417 -0.221 1.00 1.41 C ATOM 720 CG ASP A 46 6.839 13.490 -1.231 1.00 11.25 C ATOM 721 OD1 ASP A 46 7.612 13.701 -2.186 1.00 22.21 O ATOM 722 OD2 ASP A 46 5.768 14.110 -1.085 1.00 24.30 O ATOM 0 H ASP A 46 4.886 11.908 -0.888 1.00 72.13 H new ATOM 0 HA ASP A 46 7.384 10.736 -1.561 1.00 33.12 H new ATOM 0 HB2 ASP A 46 6.712 12.635 0.730 1.00 1.41 H new ATOM 0 HB3 ASP A 46 8.273 12.432 -0.040 1.00 1.41 H new ATOM 727 N ASP A 47 6.251 10.081 1.495 1.00 62.42 N ATOM 728 CA ASP A 47 6.384 9.143 2.621 1.00 11.34 C ATOM 729 C ASP A 47 6.076 7.698 2.197 1.00 72.33 C ATOM 730 O ASP A 47 6.655 6.751 2.728 1.00 33.12 O ATOM 731 CB ASP A 47 5.468 9.573 3.766 1.00 23.51 C ATOM 732 CG ASP A 47 5.855 10.931 4.321 1.00 1.42 C ATOM 733 OD1 ASP A 47 5.950 11.896 3.533 1.00 54.32 O ATOM 734 OD2 ASP A 47 6.094 11.039 5.541 1.00 12.31 O ATOM 0 H ASP A 47 5.528 10.789 1.621 1.00 62.42 H new ATOM 0 HA ASP A 47 7.420 9.168 2.960 1.00 11.34 H new ATOM 0 HB2 ASP A 47 4.437 9.605 3.414 1.00 23.51 H new ATOM 0 HB3 ASP A 47 5.509 8.830 4.563 1.00 23.51 H new ATOM 739 N PHE A 48 5.166 7.541 1.240 1.00 11.43 N ATOM 740 CA PHE A 48 4.868 6.230 0.659 1.00 75.32 C ATOM 741 C PHE A 48 6.112 5.635 -0.026 1.00 52.03 C ATOM 742 O PHE A 48 6.478 4.482 0.214 1.00 2.34 O ATOM 743 CB PHE A 48 3.716 6.352 -0.347 1.00 13.10 C ATOM 744 CG PHE A 48 3.452 5.085 -1.113 1.00 34.10 C ATOM 745 CD1 PHE A 48 2.849 3.999 -0.497 1.00 51.01 C ATOM 746 CD2 PHE A 48 3.820 4.975 -2.448 1.00 51.32 C ATOM 747 CE1 PHE A 48 2.617 2.834 -1.196 1.00 73.33 C ATOM 748 CE2 PHE A 48 3.590 3.810 -3.147 1.00 64.24 C ATOM 749 CZ PHE A 48 2.987 2.739 -2.521 1.00 65.43 C ATOM 0 H PHE A 48 4.619 8.307 0.847 1.00 11.43 H new ATOM 0 HA PHE A 48 4.570 5.558 1.464 1.00 75.32 H new ATOM 0 HB2 PHE A 48 2.809 6.642 0.184 1.00 13.10 H new ATOM 0 HB3 PHE A 48 3.942 7.153 -1.051 1.00 13.10 H new ATOM 0 HD1 PHE A 48 2.558 4.067 0.541 1.00 51.01 H new ATOM 0 HD2 PHE A 48 4.291 5.811 -2.943 1.00 51.32 H new ATOM 0 HE1 PHE A 48 2.145 1.995 -0.706 1.00 73.33 H new ATOM 0 HE2 PHE A 48 3.882 3.736 -4.184 1.00 64.24 H new ATOM 0 HZ PHE A 48 2.805 1.826 -3.069 1.00 65.43 H new ATOM 759 N ASN A 49 6.754 6.431 -0.882 1.00 42.53 N ATOM 760 CA ASN A 49 7.990 6.012 -1.556 1.00 64.41 C ATOM 761 C ASN A 49 9.107 5.727 -0.536 1.00 63.21 C ATOM 762 O ASN A 49 9.859 4.759 -0.674 1.00 10.02 O ATOM 763 CB ASN A 49 8.429 7.089 -2.556 1.00 33.22 C ATOM 764 CG ASN A 49 7.407 7.299 -3.663 1.00 63.11 C ATOM 765 OD1 ASN A 49 6.722 6.370 -4.084 1.00 33.14 O ATOM 766 ND2 ASN A 49 7.282 8.522 -4.135 1.00 44.22 N ATOM 0 H ASN A 49 6.441 7.370 -1.127 1.00 42.53 H new ATOM 0 HA ASN A 49 7.793 5.087 -2.098 1.00 64.41 H new ATOM 0 HB2 ASN A 49 8.588 8.029 -2.028 1.00 33.22 H new ATOM 0 HB3 ASN A 49 9.385 6.805 -2.996 1.00 33.22 H new ATOM 0 HD21 ASN A 49 6.602 8.718 -4.870 1.00 44.22 H new ATOM 0 HD22 ASN A 49 7.865 9.273 -3.766 1.00 44.22 H new ATOM 773 N GLU A 50 9.204 6.572 0.496 1.00 32.32 N ATOM 774 CA GLU A 50 10.123 6.329 1.621 1.00 24.13 C ATOM 775 C GLU A 50 9.857 4.954 2.250 1.00 23.22 C ATOM 776 O GLU A 50 10.777 4.170 2.467 1.00 35.52 O ATOM 777 CB GLU A 50 9.966 7.422 2.696 1.00 54.35 C ATOM 778 CG GLU A 50 10.502 8.793 2.293 1.00 50.45 C ATOM 779 CD GLU A 50 12.020 8.822 2.175 1.00 21.52 C ATOM 780 OE1 GLU A 50 12.701 8.974 3.216 1.00 41.55 O ATOM 781 OE2 GLU A 50 12.539 8.693 1.048 1.00 62.33 O ATOM 0 H GLU A 50 8.659 7.430 0.579 1.00 32.32 H new ATOM 0 HA GLU A 50 11.141 6.353 1.232 1.00 24.13 H new ATOM 0 HB2 GLU A 50 8.909 7.519 2.945 1.00 54.35 H new ATOM 0 HB3 GLU A 50 10.479 7.098 3.602 1.00 54.35 H new ATOM 0 HG2 GLU A 50 10.062 9.084 1.339 1.00 50.45 H new ATOM 0 HG3 GLU A 50 10.185 9.532 3.028 1.00 50.45 H new ATOM 788 N LEU A 51 8.584 4.672 2.516 1.00 34.12 N ATOM 789 CA LEU A 51 8.160 3.400 3.116 1.00 71.12 C ATOM 790 C LEU A 51 8.735 2.192 2.351 1.00 2.33 C ATOM 791 O LEU A 51 9.395 1.328 2.932 1.00 41.13 O ATOM 792 CB LEU A 51 6.622 3.339 3.133 1.00 53.40 C ATOM 793 CG LEU A 51 5.997 2.110 3.816 1.00 3.24 C ATOM 794 CD1 LEU A 51 6.327 2.085 5.306 1.00 74.42 C ATOM 795 CD2 LEU A 51 4.483 2.092 3.595 1.00 53.44 C ATOM 0 H LEU A 51 7.815 5.314 2.324 1.00 34.12 H new ATOM 0 HA LEU A 51 8.545 3.352 4.135 1.00 71.12 H new ATOM 0 HB2 LEU A 51 6.249 4.234 3.631 1.00 53.40 H new ATOM 0 HB3 LEU A 51 6.267 3.376 2.103 1.00 53.40 H new ATOM 0 HG LEU A 51 6.424 1.214 3.365 1.00 3.24 H new ATOM 0 HD11 LEU A 51 5.873 1.206 5.764 1.00 74.42 H new ATOM 0 HD12 LEU A 51 7.408 2.046 5.439 1.00 74.42 H new ATOM 0 HD13 LEU A 51 5.936 2.985 5.781 1.00 74.42 H new ATOM 0 HD21 LEU A 51 4.054 1.217 4.084 1.00 53.44 H new ATOM 0 HD22 LEU A 51 4.043 2.995 4.017 1.00 53.44 H new ATOM 0 HD23 LEU A 51 4.272 2.051 2.526 1.00 53.44 H new ATOM 807 N LEU A 52 8.506 2.154 1.040 1.00 40.31 N ATOM 808 CA LEU A 52 8.999 1.055 0.196 1.00 64.24 C ATOM 809 C LEU A 52 10.533 1.060 0.064 1.00 61.34 C ATOM 810 O LEU A 52 11.139 0.036 -0.251 1.00 20.32 O ATOM 811 CB LEU A 52 8.344 1.121 -1.190 1.00 33.41 C ATOM 812 CG LEU A 52 6.832 0.855 -1.201 1.00 3.33 C ATOM 813 CD1 LEU A 52 6.272 0.962 -2.616 1.00 1.41 C ATOM 814 CD2 LEU A 52 6.530 -0.516 -0.602 1.00 55.52 C ATOM 0 H LEU A 52 7.983 2.869 0.534 1.00 40.31 H new ATOM 0 HA LEU A 52 8.723 0.121 0.685 1.00 64.24 H new ATOM 0 HB2 LEU A 52 8.528 2.107 -1.617 1.00 33.41 H new ATOM 0 HB3 LEU A 52 8.831 0.395 -1.841 1.00 33.41 H new ATOM 0 HG LEU A 52 6.345 1.614 -0.589 1.00 3.33 H new ATOM 0 HD11 LEU A 52 5.199 0.770 -2.598 1.00 1.41 H new ATOM 0 HD12 LEU A 52 6.455 1.964 -3.005 1.00 1.41 H new ATOM 0 HD13 LEU A 52 6.762 0.229 -3.257 1.00 1.41 H new ATOM 0 HD21 LEU A 52 5.454 -0.690 -0.617 1.00 55.52 H new ATOM 0 HD22 LEU A 52 7.031 -1.287 -1.188 1.00 55.52 H new ATOM 0 HD23 LEU A 52 6.889 -0.551 0.426 1.00 55.52 H new ATOM 826 N ALA A 53 11.153 2.212 0.298 1.00 51.32 N ATOM 827 CA ALA A 53 12.616 2.322 0.281 1.00 31.41 C ATOM 828 C ALA A 53 13.229 1.908 1.632 1.00 14.02 C ATOM 829 O ALA A 53 14.415 1.589 1.721 1.00 22.04 O ATOM 830 CB ALA A 53 13.029 3.746 -0.082 1.00 54.44 C ATOM 0 H ALA A 53 10.669 3.086 0.502 1.00 51.32 H new ATOM 0 HA ALA A 53 12.998 1.637 -0.476 1.00 31.41 H new ATOM 0 HB1 ALA A 53 14.117 3.818 -0.092 1.00 54.44 H new ATOM 0 HB2 ALA A 53 12.639 3.998 -1.068 1.00 54.44 H new ATOM 0 HB3 ALA A 53 12.626 4.441 0.655 1.00 54.44 H new ATOM 836 N ARG A 54 12.407 1.918 2.682 1.00 4.22 N ATOM 837 CA ARG A 54 12.860 1.576 4.040 1.00 73.11 C ATOM 838 C ARG A 54 12.623 0.092 4.374 1.00 23.21 C ATOM 839 O ARG A 54 13.347 -0.494 5.180 1.00 51.54 O ATOM 840 CB ARG A 54 12.151 2.476 5.060 1.00 34.33 C ATOM 841 CG ARG A 54 12.491 3.953 4.882 1.00 4.45 C ATOM 842 CD ARG A 54 11.629 4.865 5.748 1.00 34.10 C ATOM 843 NE ARG A 54 11.860 6.274 5.435 1.00 0.21 N ATOM 844 CZ ARG A 54 11.584 7.267 6.235 1.00 11.14 C ATOM 845 NH1 ARG A 54 11.070 7.056 7.401 1.00 60.43 N ATOM 846 NH2 ARG A 54 11.823 8.481 5.866 1.00 20.53 N ATOM 0 H ARG A 54 11.418 2.160 2.622 1.00 4.22 H new ATOM 0 HA ARG A 54 13.936 1.745 4.087 1.00 73.11 H new ATOM 0 HB2 ARG A 54 11.073 2.342 4.968 1.00 34.33 H new ATOM 0 HB3 ARG A 54 12.426 2.163 6.067 1.00 34.33 H new ATOM 0 HG2 ARG A 54 13.541 4.112 5.128 1.00 4.45 H new ATOM 0 HG3 ARG A 54 12.364 4.227 3.835 1.00 4.45 H new ATOM 0 HD2 ARG A 54 10.577 4.625 5.596 1.00 34.10 H new ATOM 0 HD3 ARG A 54 11.849 4.684 6.800 1.00 34.10 H new ATOM 0 HE ARG A 54 12.266 6.497 4.526 1.00 0.21 H new ATOM 0 HH11 ARG A 54 10.875 6.103 7.707 1.00 60.43 H new ATOM 0 HH12 ARG A 54 10.860 7.842 8.016 1.00 60.43 H new ATOM 0 HH21 ARG A 54 12.228 8.665 4.948 1.00 20.53 H new ATOM 0 HH22 ARG A 54 11.607 9.256 6.492 1.00 20.53 H new ATOM 860 N TYR A 55 11.604 -0.507 3.764 1.00 12.21 N ATOM 861 CA TYR A 55 11.307 -1.934 3.965 1.00 64.11 C ATOM 862 C TYR A 55 11.820 -2.793 2.795 1.00 13.22 C ATOM 863 O TYR A 55 11.354 -2.652 1.662 1.00 73.34 O ATOM 864 CB TYR A 55 9.798 -2.146 4.152 1.00 14.44 C ATOM 865 CG TYR A 55 9.279 -1.629 5.481 1.00 72.15 C ATOM 866 CD1 TYR A 55 9.126 -0.267 5.707 1.00 65.34 C ATOM 867 CD2 TYR A 55 8.955 -2.505 6.512 1.00 71.20 C ATOM 868 CE1 TYR A 55 8.666 0.207 6.918 1.00 0.43 C ATOM 869 CE2 TYR A 55 8.495 -2.037 7.729 1.00 25.15 C ATOM 870 CZ TYR A 55 8.351 -0.680 7.927 1.00 34.22 C ATOM 871 OH TYR A 55 7.897 -0.206 9.141 1.00 4.22 O ATOM 0 H TYR A 55 10.966 -0.032 3.125 1.00 12.21 H new ATOM 0 HA TYR A 55 11.829 -2.253 4.867 1.00 64.11 H new ATOM 0 HB2 TYR A 55 9.265 -1.647 3.343 1.00 14.44 H new ATOM 0 HB3 TYR A 55 9.575 -3.210 4.072 1.00 14.44 H new ATOM 0 HD1 TYR A 55 9.371 0.432 4.922 1.00 65.34 H new ATOM 0 HD2 TYR A 55 9.065 -3.569 6.359 1.00 71.20 H new ATOM 0 HE1 TYR A 55 8.553 1.269 7.076 1.00 0.43 H new ATOM 0 HE2 TYR A 55 8.250 -2.730 8.520 1.00 25.15 H new ATOM 0 HH TYR A 55 7.720 -0.960 9.741 1.00 4.22 H new ATOM 881 N PRO A 56 12.788 -3.701 3.051 1.00 73.32 N ATOM 882 CA PRO A 56 13.358 -4.570 2.007 1.00 54.23 C ATOM 883 C PRO A 56 12.379 -5.661 1.532 1.00 23.52 C ATOM 884 O PRO A 56 12.497 -6.834 1.898 1.00 32.41 O ATOM 885 CB PRO A 56 14.585 -5.187 2.696 1.00 20.22 C ATOM 886 CG PRO A 56 14.236 -5.189 4.147 1.00 11.32 C ATOM 887 CD PRO A 56 13.405 -3.951 4.372 1.00 33.43 C ATOM 0 HA PRO A 56 13.597 -4.015 1.100 1.00 54.23 H new ATOM 0 HB2 PRO A 56 14.779 -6.196 2.333 1.00 20.22 H new ATOM 0 HB3 PRO A 56 15.484 -4.601 2.505 1.00 20.22 H new ATOM 0 HG2 PRO A 56 13.679 -6.087 4.414 1.00 11.32 H new ATOM 0 HG3 PRO A 56 15.134 -5.175 4.765 1.00 11.32 H new ATOM 0 HD2 PRO A 56 12.651 -4.109 5.143 1.00 33.43 H new ATOM 0 HD3 PRO A 56 14.018 -3.109 4.694 1.00 33.43 H new ATOM 895 N LEU A 57 11.404 -5.257 0.723 1.00 62.22 N ATOM 896 CA LEU A 57 10.409 -6.181 0.174 1.00 34.10 C ATOM 897 C LEU A 57 10.825 -6.689 -1.219 1.00 1.24 C ATOM 898 O LEU A 57 11.630 -6.065 -1.912 1.00 22.41 O ATOM 899 CB LEU A 57 9.043 -5.483 0.081 1.00 12.54 C ATOM 900 CG LEU A 57 8.477 -4.937 1.402 1.00 5.11 C ATOM 901 CD1 LEU A 57 7.175 -4.181 1.153 1.00 20.13 C ATOM 902 CD2 LEU A 57 8.252 -6.068 2.401 1.00 13.10 C ATOM 0 H LEU A 57 11.279 -4.288 0.430 1.00 62.22 H new ATOM 0 HA LEU A 57 10.340 -7.038 0.844 1.00 34.10 H new ATOM 0 HB2 LEU A 57 9.126 -4.657 -0.625 1.00 12.54 H new ATOM 0 HB3 LEU A 57 8.324 -6.188 -0.336 1.00 12.54 H new ATOM 0 HG LEU A 57 9.205 -4.245 1.825 1.00 5.11 H new ATOM 0 HD11 LEU A 57 6.788 -3.801 2.099 1.00 20.13 H new ATOM 0 HD12 LEU A 57 7.362 -3.347 0.476 1.00 20.13 H new ATOM 0 HD13 LEU A 57 6.443 -4.854 0.706 1.00 20.13 H new ATOM 0 HD21 LEU A 57 7.851 -5.660 3.329 1.00 13.10 H new ATOM 0 HD22 LEU A 57 7.545 -6.786 1.985 1.00 13.10 H new ATOM 0 HD23 LEU A 57 9.199 -6.568 2.604 1.00 13.10 H new ATOM 914 N THR A 58 10.276 -7.829 -1.623 1.00 63.43 N ATOM 915 CA THR A 58 10.522 -8.373 -2.968 1.00 11.15 C ATOM 916 C THR A 58 9.638 -7.672 -4.011 1.00 70.15 C ATOM 917 O THR A 58 8.597 -7.111 -3.668 1.00 61.35 O ATOM 918 CB THR A 58 10.265 -9.898 -3.028 1.00 15.31 C ATOM 919 OG1 THR A 58 8.881 -10.191 -2.771 1.00 33.23 O ATOM 920 CG2 THR A 58 11.134 -10.635 -2.016 1.00 43.21 C ATOM 0 H THR A 58 9.658 -8.399 -1.045 1.00 63.43 H new ATOM 0 HA THR A 58 11.572 -8.189 -3.195 1.00 11.15 H new ATOM 0 HB THR A 58 10.523 -10.237 -4.031 1.00 15.31 H new ATOM 0 HG1 THR A 58 8.690 -10.057 -1.819 1.00 33.23 H new ATOM 0 HG21 THR A 58 10.936 -11.705 -2.077 1.00 43.21 H new ATOM 0 HG22 THR A 58 12.185 -10.448 -2.235 1.00 43.21 H new ATOM 0 HG23 THR A 58 10.903 -10.280 -1.012 1.00 43.21 H new ATOM 928 N GLU A 59 10.051 -7.719 -5.281 1.00 74.32 N ATOM 929 CA GLU A 59 9.358 -7.003 -6.372 1.00 62.32 C ATOM 930 C GLU A 59 7.823 -7.127 -6.294 1.00 2.24 C ATOM 931 O GLU A 59 7.111 -6.119 -6.254 1.00 21.25 O ATOM 932 CB GLU A 59 9.845 -7.521 -7.732 1.00 3.54 C ATOM 933 CG GLU A 59 11.321 -7.250 -8.006 1.00 14.13 C ATOM 934 CD GLU A 59 11.666 -5.767 -8.001 1.00 71.04 C ATOM 935 OE1 GLU A 59 11.247 -5.054 -8.935 1.00 71.22 O ATOM 936 OE2 GLU A 59 12.362 -5.312 -7.067 1.00 3.32 O ATOM 0 H GLU A 59 10.868 -8.248 -5.587 1.00 74.32 H new ATOM 0 HA GLU A 59 9.603 -5.947 -6.258 1.00 62.32 H new ATOM 0 HB2 GLU A 59 9.667 -8.595 -7.785 1.00 3.54 H new ATOM 0 HB3 GLU A 59 9.249 -7.060 -8.520 1.00 3.54 H new ATOM 0 HG2 GLU A 59 11.924 -7.760 -7.254 1.00 14.13 H new ATOM 0 HG3 GLU A 59 11.589 -7.676 -8.973 1.00 14.13 H new ATOM 943 N SER A 60 7.324 -8.363 -6.268 1.00 64.01 N ATOM 944 CA SER A 60 5.873 -8.625 -6.209 1.00 63.13 C ATOM 945 C SER A 60 5.194 -7.921 -5.022 1.00 61.21 C ATOM 946 O SER A 60 4.035 -7.508 -5.115 1.00 43.23 O ATOM 947 CB SER A 60 5.605 -10.134 -6.136 1.00 42.53 C ATOM 948 OG SER A 60 6.048 -10.782 -7.320 1.00 32.23 O ATOM 0 H SER A 60 7.899 -9.205 -6.287 1.00 64.01 H new ATOM 0 HA SER A 60 5.442 -8.217 -7.123 1.00 63.13 H new ATOM 0 HB2 SER A 60 6.116 -10.557 -5.271 1.00 42.53 H new ATOM 0 HB3 SER A 60 4.539 -10.312 -5.995 1.00 42.53 H new ATOM 0 HG SER A 60 5.870 -11.743 -7.253 1.00 32.23 H new ATOM 954 N GLN A 61 5.917 -7.778 -3.913 1.00 1.54 N ATOM 955 CA GLN A 61 5.368 -7.137 -2.715 1.00 35.13 C ATOM 956 C GLN A 61 5.190 -5.620 -2.915 1.00 10.13 C ATOM 957 O GLN A 61 4.139 -5.071 -2.585 1.00 42.23 O ATOM 958 CB GLN A 61 6.255 -7.422 -1.495 1.00 0.31 C ATOM 959 CG GLN A 61 6.382 -8.909 -1.174 1.00 70.13 C ATOM 960 CD GLN A 61 7.240 -9.177 0.052 1.00 43.40 C ATOM 961 OE1 GLN A 61 8.455 -9.314 -0.046 1.00 34.21 O ATOM 962 NE2 GLN A 61 6.617 -9.279 1.208 1.00 20.42 N ATOM 0 H GLN A 61 6.882 -8.096 -3.817 1.00 1.54 H new ATOM 0 HA GLN A 61 4.381 -7.563 -2.535 1.00 35.13 H new ATOM 0 HB2 GLN A 61 7.248 -7.010 -1.673 1.00 0.31 H new ATOM 0 HB3 GLN A 61 5.845 -6.904 -0.628 1.00 0.31 H new ATOM 0 HG2 GLN A 61 5.388 -9.328 -1.015 1.00 70.13 H new ATOM 0 HG3 GLN A 61 6.812 -9.426 -2.032 1.00 70.13 H new ATOM 0 HE21 GLN A 61 5.605 -9.159 1.254 1.00 20.42 H new ATOM 0 HE22 GLN A 61 7.146 -9.478 2.057 1.00 20.42 H new ATOM 971 N LEU A 62 6.203 -4.944 -3.473 1.00 13.31 N ATOM 972 CA LEU A 62 6.083 -3.503 -3.771 1.00 14.40 C ATOM 973 C LEU A 62 4.997 -3.259 -4.828 1.00 51.44 C ATOM 974 O LEU A 62 4.224 -2.300 -4.735 1.00 53.32 O ATOM 975 CB LEU A 62 7.416 -2.897 -4.249 1.00 54.23 C ATOM 976 CG LEU A 62 8.553 -2.863 -3.207 1.00 13.24 C ATOM 977 CD1 LEU A 62 9.265 -4.208 -3.131 1.00 74.21 C ATOM 978 CD2 LEU A 62 9.545 -1.745 -3.518 1.00 5.15 C ATOM 0 H LEU A 62 7.100 -5.358 -3.725 1.00 13.31 H new ATOM 0 HA LEU A 62 5.804 -3.008 -2.841 1.00 14.40 H new ATOM 0 HB2 LEU A 62 7.760 -3.462 -5.115 1.00 54.23 H new ATOM 0 HB3 LEU A 62 7.229 -1.878 -4.587 1.00 54.23 H new ATOM 0 HG LEU A 62 8.107 -2.661 -2.233 1.00 13.24 H new ATOM 0 HD11 LEU A 62 10.062 -4.156 -2.389 1.00 74.21 H new ATOM 0 HD12 LEU A 62 8.552 -4.981 -2.845 1.00 74.21 H new ATOM 0 HD13 LEU A 62 9.691 -4.450 -4.105 1.00 74.21 H new ATOM 0 HD21 LEU A 62 10.337 -1.742 -2.769 1.00 5.15 H new ATOM 0 HD22 LEU A 62 9.979 -1.908 -4.504 1.00 5.15 H new ATOM 0 HD23 LEU A 62 9.028 -0.785 -3.503 1.00 5.15 H new ATOM 990 N ALA A 63 4.942 -4.142 -5.828 1.00 32.43 N ATOM 991 CA ALA A 63 3.904 -4.085 -6.862 1.00 33.52 C ATOM 992 C ALA A 63 2.500 -4.150 -6.241 1.00 20.22 C ATOM 993 O ALA A 63 1.573 -3.474 -6.697 1.00 61.10 O ATOM 994 CB ALA A 63 4.098 -5.219 -7.865 1.00 63.15 C ATOM 0 H ALA A 63 5.606 -4.907 -5.944 1.00 32.43 H new ATOM 0 HA ALA A 63 3.995 -3.133 -7.385 1.00 33.52 H new ATOM 0 HB1 ALA A 63 3.321 -5.167 -8.628 1.00 63.15 H new ATOM 0 HB2 ALA A 63 5.076 -5.125 -8.336 1.00 63.15 H new ATOM 0 HB3 ALA A 63 4.035 -6.177 -7.348 1.00 63.15 H new ATOM 1000 N LEU A 64 2.351 -4.964 -5.198 1.00 62.14 N ATOM 1001 CA LEU A 64 1.085 -5.055 -4.468 1.00 72.42 C ATOM 1002 C LEU A 64 0.824 -3.786 -3.641 1.00 11.34 C ATOM 1003 O LEU A 64 -0.238 -3.185 -3.742 1.00 11.23 O ATOM 1004 CB LEU A 64 1.075 -6.278 -3.544 1.00 52.54 C ATOM 1005 CG LEU A 64 -0.230 -6.475 -2.752 1.00 10.44 C ATOM 1006 CD1 LEU A 64 -1.398 -6.786 -3.688 1.00 42.21 C ATOM 1007 CD2 LEU A 64 -0.073 -7.566 -1.699 1.00 1.43 C ATOM 0 H LEU A 64 3.089 -5.570 -4.839 1.00 62.14 H new ATOM 0 HA LEU A 64 0.292 -5.159 -5.208 1.00 72.42 H new ATOM 0 HB2 LEU A 64 1.259 -7.170 -4.143 1.00 52.54 H new ATOM 0 HB3 LEU A 64 1.902 -6.191 -2.839 1.00 52.54 H new ATOM 0 HG LEU A 64 -0.451 -5.540 -2.237 1.00 10.44 H new ATOM 0 HD11 LEU A 64 -2.308 -6.921 -3.103 1.00 42.21 H new ATOM 0 HD12 LEU A 64 -1.535 -5.960 -4.386 1.00 42.21 H new ATOM 0 HD13 LEU A 64 -1.186 -7.699 -4.244 1.00 42.21 H new ATOM 0 HD21 LEU A 64 -1.010 -7.684 -1.155 1.00 1.43 H new ATOM 0 HD22 LEU A 64 0.185 -8.507 -2.185 1.00 1.43 H new ATOM 0 HD23 LEU A 64 0.719 -7.289 -1.003 1.00 1.43 H new ATOM 1019 N VAL A 65 1.806 -3.386 -2.827 1.00 51.21 N ATOM 1020 CA VAL A 65 1.672 -2.207 -1.954 1.00 74.12 C ATOM 1021 C VAL A 65 1.226 -0.954 -2.732 1.00 4.42 C ATOM 1022 O VAL A 65 0.332 -0.224 -2.293 1.00 20.11 O ATOM 1023 CB VAL A 65 2.999 -1.907 -1.207 1.00 64.24 C ATOM 1024 CG1 VAL A 65 2.876 -0.647 -0.354 1.00 22.22 C ATOM 1025 CG2 VAL A 65 3.409 -3.094 -0.339 1.00 3.15 C ATOM 0 H VAL A 65 2.706 -3.860 -2.752 1.00 51.21 H new ATOM 0 HA VAL A 65 0.897 -2.450 -1.227 1.00 74.12 H new ATOM 0 HB VAL A 65 3.772 -1.738 -1.956 1.00 64.24 H new ATOM 0 HG11 VAL A 65 3.820 -0.461 0.158 1.00 22.22 H new ATOM 0 HG12 VAL A 65 2.636 0.203 -0.993 1.00 22.22 H new ATOM 0 HG13 VAL A 65 2.084 -0.782 0.383 1.00 22.22 H new ATOM 0 HG21 VAL A 65 4.342 -2.863 0.176 1.00 3.15 H new ATOM 0 HG22 VAL A 65 2.629 -3.294 0.395 1.00 3.15 H new ATOM 0 HG23 VAL A 65 3.550 -3.973 -0.968 1.00 3.15 H new ATOM 1035 N ARG A 66 1.843 -0.712 -3.890 1.00 44.52 N ATOM 1036 CA ARG A 66 1.455 0.419 -4.743 1.00 53.25 C ATOM 1037 C ARG A 66 0.018 0.260 -5.267 1.00 53.43 C ATOM 1038 O ARG A 66 -0.720 1.241 -5.402 1.00 3.53 O ATOM 1039 CB ARG A 66 2.440 0.588 -5.914 1.00 72.22 C ATOM 1040 CG ARG A 66 3.849 0.996 -5.478 1.00 44.32 C ATOM 1041 CD ARG A 66 4.730 1.403 -6.657 1.00 2.25 C ATOM 1042 NE ARG A 66 6.001 1.991 -6.213 1.00 50.05 N ATOM 1043 CZ ARG A 66 6.412 3.191 -6.536 1.00 2.11 C ATOM 1044 NH1 ARG A 66 5.682 3.966 -7.271 1.00 11.33 N ATOM 1045 NH2 ARG A 66 7.550 3.624 -6.096 1.00 62.14 N ATOM 0 H ARG A 66 2.608 -1.277 -4.259 1.00 44.52 H new ATOM 0 HA ARG A 66 1.491 1.319 -4.129 1.00 53.25 H new ATOM 0 HB2 ARG A 66 2.497 -0.349 -6.467 1.00 72.22 H new ATOM 0 HB3 ARG A 66 2.050 1.340 -6.600 1.00 72.22 H new ATOM 0 HG2 ARG A 66 3.782 1.826 -4.775 1.00 44.32 H new ATOM 0 HG3 ARG A 66 4.317 0.166 -4.948 1.00 44.32 H new ATOM 0 HD2 ARG A 66 4.931 0.530 -7.278 1.00 2.25 H new ATOM 0 HD3 ARG A 66 4.195 2.121 -7.279 1.00 2.25 H new ATOM 0 HE ARG A 66 6.603 1.427 -5.613 1.00 50.05 H new ATOM 0 HH11 ARG A 66 4.774 3.644 -7.606 1.00 11.33 H new ATOM 0 HH12 ARG A 66 6.014 4.899 -7.515 1.00 11.33 H new ATOM 0 HH21 ARG A 66 8.125 3.030 -5.498 1.00 62.14 H new ATOM 0 HH22 ARG A 66 7.871 4.559 -6.347 1.00 62.14 H new ATOM 1059 N ASP A 67 -0.380 -0.978 -5.545 1.00 34.24 N ATOM 1060 CA ASP A 67 -1.742 -1.271 -5.995 1.00 33.44 C ATOM 1061 C ASP A 67 -2.752 -1.102 -4.845 1.00 5.12 C ATOM 1062 O ASP A 67 -3.869 -0.631 -5.053 1.00 14.20 O ATOM 1063 CB ASP A 67 -1.806 -2.695 -6.567 1.00 61.55 C ATOM 1064 CG ASP A 67 -3.160 -3.026 -7.179 1.00 1.34 C ATOM 1065 OD1 ASP A 67 -3.579 -2.322 -8.124 1.00 43.41 O ATOM 1066 OD2 ASP A 67 -3.796 -4.008 -6.743 1.00 13.55 O ATOM 0 H ASP A 67 0.221 -1.798 -5.467 1.00 34.24 H new ATOM 0 HA ASP A 67 -2.009 -0.562 -6.778 1.00 33.44 H new ATOM 0 HB2 ASP A 67 -1.032 -2.812 -7.325 1.00 61.55 H new ATOM 0 HB3 ASP A 67 -1.586 -3.410 -5.774 1.00 61.55 H new ATOM 1071 N ILE A 68 -2.343 -1.468 -3.629 1.00 52.20 N ATOM 1072 CA ILE A 68 -3.193 -1.322 -2.441 1.00 71.12 C ATOM 1073 C ILE A 68 -3.581 0.144 -2.205 1.00 12.52 C ATOM 1074 O ILE A 68 -4.741 0.452 -1.935 1.00 12.53 O ATOM 1075 CB ILE A 68 -2.498 -1.881 -1.166 1.00 22.44 C ATOM 1076 CG1 ILE A 68 -2.262 -3.396 -1.301 1.00 11.14 C ATOM 1077 CG2 ILE A 68 -3.327 -1.572 0.084 1.00 33.21 C ATOM 1078 CD1 ILE A 68 -1.538 -4.019 -0.122 1.00 31.23 C ATOM 0 H ILE A 68 -1.425 -1.870 -3.438 1.00 52.20 H new ATOM 0 HA ILE A 68 -4.096 -1.902 -2.633 1.00 71.12 H new ATOM 0 HB ILE A 68 -1.530 -1.390 -1.061 1.00 22.44 H new ATOM 0 HG12 ILE A 68 -3.224 -3.893 -1.426 1.00 11.14 H new ATOM 0 HG13 ILE A 68 -1.686 -3.584 -2.207 1.00 11.14 H new ATOM 0 HG21 ILE A 68 -2.822 -1.972 0.963 1.00 33.21 H new ATOM 0 HG22 ILE A 68 -3.438 -0.493 0.189 1.00 33.21 H new ATOM 0 HG23 ILE A 68 -4.311 -2.031 -0.010 1.00 33.21 H new ATOM 0 HD11 ILE A 68 -1.412 -5.088 -0.296 1.00 31.23 H new ATOM 0 HD12 ILE A 68 -0.560 -3.552 -0.007 1.00 31.23 H new ATOM 0 HD13 ILE A 68 -2.122 -3.866 0.786 1.00 31.23 H new ATOM 1090 N ARG A 69 -2.609 1.050 -2.317 1.00 72.50 N ATOM 1091 CA ARG A 69 -2.879 2.485 -2.159 1.00 21.22 C ATOM 1092 C ARG A 69 -3.924 2.947 -3.193 1.00 21.54 C ATOM 1093 O ARG A 69 -4.812 3.749 -2.895 1.00 60.12 O ATOM 1094 CB ARG A 69 -1.582 3.296 -2.308 1.00 22.43 C ATOM 1095 CG ARG A 69 -1.695 4.736 -1.803 1.00 70.20 C ATOM 1096 CD ARG A 69 -0.377 5.496 -1.927 1.00 25.03 C ATOM 1097 NE ARG A 69 -0.443 6.811 -1.292 1.00 52.22 N ATOM 1098 CZ ARG A 69 -0.432 7.946 -1.941 1.00 45.32 C ATOM 1099 NH1 ARG A 69 -0.347 7.968 -3.237 1.00 62.01 N ATOM 1100 NH2 ARG A 69 -0.488 9.058 -1.285 1.00 20.10 N ATOM 0 H ARG A 69 -1.635 0.822 -2.515 1.00 72.50 H new ATOM 0 HA ARG A 69 -3.278 2.656 -1.159 1.00 21.22 H new ATOM 0 HB2 ARG A 69 -0.784 2.791 -1.764 1.00 22.43 H new ATOM 0 HB3 ARG A 69 -1.292 3.311 -3.359 1.00 22.43 H new ATOM 0 HG2 ARG A 69 -2.468 5.258 -2.368 1.00 70.20 H new ATOM 0 HG3 ARG A 69 -2.012 4.730 -0.760 1.00 70.20 H new ATOM 0 HD2 ARG A 69 0.423 4.912 -1.471 1.00 25.03 H new ATOM 0 HD3 ARG A 69 -0.124 5.614 -2.981 1.00 25.03 H new ATOM 0 HE ARG A 69 -0.502 6.845 -0.274 1.00 52.22 H new ATOM 0 HH11 ARG A 69 -0.288 7.094 -3.759 1.00 62.01 H new ATOM 0 HH12 ARG A 69 -0.339 8.860 -3.733 1.00 62.01 H new ATOM 0 HH21 ARG A 69 -0.540 9.047 -0.266 1.00 20.10 H new ATOM 0 HH22 ARG A 69 -0.480 9.947 -1.786 1.00 20.10 H new ATOM 1114 N ARG A 70 -3.812 2.410 -4.407 1.00 11.15 N ATOM 1115 CA ARG A 70 -4.796 2.645 -5.470 1.00 2.14 C ATOM 1116 C ARG A 70 -6.167 2.049 -5.099 1.00 43.02 C ATOM 1117 O ARG A 70 -7.211 2.658 -5.346 1.00 70.03 O ATOM 1118 CB ARG A 70 -4.277 2.027 -6.781 1.00 42.25 C ATOM 1119 CG ARG A 70 -5.233 2.113 -7.974 1.00 41.33 C ATOM 1120 CD ARG A 70 -5.465 3.545 -8.450 1.00 30.53 C ATOM 1121 NE ARG A 70 -6.374 4.288 -7.579 1.00 3.34 N ATOM 1122 CZ ARG A 70 -6.605 5.566 -7.686 1.00 54.54 C ATOM 1123 NH1 ARG A 70 -5.981 6.279 -8.570 1.00 61.33 N ATOM 1124 NH2 ARG A 70 -7.463 6.131 -6.899 1.00 21.25 N ATOM 0 H ARG A 70 -3.041 1.802 -4.684 1.00 11.15 H new ATOM 0 HA ARG A 70 -4.929 3.719 -5.599 1.00 2.14 H new ATOM 0 HB2 ARG A 70 -3.343 2.520 -7.050 1.00 42.25 H new ATOM 0 HB3 ARG A 70 -4.043 0.978 -6.600 1.00 42.25 H new ATOM 0 HG2 ARG A 70 -4.831 1.523 -8.798 1.00 41.33 H new ATOM 0 HG3 ARG A 70 -6.189 1.668 -7.699 1.00 41.33 H new ATOM 0 HD2 ARG A 70 -4.509 4.066 -8.500 1.00 30.53 H new ATOM 0 HD3 ARG A 70 -5.871 3.526 -9.461 1.00 30.53 H new ATOM 0 HE ARG A 70 -6.857 3.774 -6.842 1.00 3.34 H new ATOM 0 HH11 ARG A 70 -5.301 5.841 -9.191 1.00 61.33 H new ATOM 0 HH12 ARG A 70 -6.170 7.279 -8.645 1.00 61.33 H new ATOM 0 HH21 ARG A 70 -7.955 5.576 -6.199 1.00 21.25 H new ATOM 0 HH22 ARG A 70 -7.647 7.131 -6.979 1.00 21.25 H new ATOM 1138 N ARG A 71 -6.142 0.857 -4.502 1.00 44.13 N ATOM 1139 CA ARG A 71 -7.357 0.161 -4.063 1.00 2.32 C ATOM 1140 C ARG A 71 -8.043 0.879 -2.891 1.00 61.24 C ATOM 1141 O ARG A 71 -9.251 0.766 -2.705 1.00 21.23 O ATOM 1142 CB ARG A 71 -7.011 -1.273 -3.647 1.00 12.34 C ATOM 1143 CG ARG A 71 -6.538 -2.161 -4.793 1.00 21.53 C ATOM 1144 CD ARG A 71 -6.084 -3.527 -4.290 1.00 71.11 C ATOM 1145 NE ARG A 71 -7.064 -4.116 -3.380 1.00 63.22 N ATOM 1146 CZ ARG A 71 -7.647 -5.267 -3.557 1.00 54.14 C ATOM 1147 NH1 ARG A 71 -7.339 -6.024 -4.561 1.00 52.31 N ATOM 1148 NH2 ARG A 71 -8.538 -5.663 -2.711 1.00 64.21 N ATOM 0 H ARG A 71 -5.281 0.345 -4.308 1.00 44.13 H new ATOM 0 HA ARG A 71 -8.051 0.154 -4.903 1.00 2.32 H new ATOM 0 HB2 ARG A 71 -6.234 -1.240 -2.884 1.00 12.34 H new ATOM 0 HB3 ARG A 71 -7.889 -1.728 -3.189 1.00 12.34 H new ATOM 0 HG2 ARG A 71 -7.346 -2.287 -5.514 1.00 21.53 H new ATOM 0 HG3 ARG A 71 -5.716 -1.673 -5.317 1.00 21.53 H new ATOM 0 HD2 ARG A 71 -5.926 -4.194 -5.138 1.00 71.11 H new ATOM 0 HD3 ARG A 71 -5.126 -3.428 -3.780 1.00 71.11 H new ATOM 0 HE ARG A 71 -7.310 -3.586 -2.544 1.00 63.22 H new ATOM 0 HH11 ARG A 71 -6.630 -5.722 -5.229 1.00 52.31 H new ATOM 0 HH12 ARG A 71 -7.806 -6.923 -4.684 1.00 52.31 H new ATOM 0 HH21 ARG A 71 -8.780 -5.076 -1.913 1.00 64.21 H new ATOM 0 HH22 ARG A 71 -9.000 -6.563 -2.841 1.00 64.21 H new ATOM 1162 N GLY A 72 -7.262 1.593 -2.088 1.00 43.33 N ATOM 1163 CA GLY A 72 -7.828 2.352 -0.979 1.00 72.20 C ATOM 1164 C GLY A 72 -8.408 3.692 -1.417 1.00 30.24 C ATOM 1165 O GLY A 72 -9.473 4.107 -0.952 1.00 53.21 O ATOM 0 H GLY A 72 -6.249 1.662 -2.182 1.00 43.33 H new ATOM 0 HA2 GLY A 72 -8.610 1.761 -0.502 1.00 72.20 H new ATOM 0 HA3 GLY A 72 -7.055 2.523 -0.230 1.00 72.20 H new ATOM 1169 N LYS A 73 -7.709 4.373 -2.324 1.00 3.30 N ATOM 1170 CA LYS A 73 -8.132 5.701 -2.782 1.00 51.55 C ATOM 1171 C LYS A 73 -9.309 5.645 -3.773 1.00 2.52 C ATOM 1172 O LYS A 73 -10.060 6.608 -3.883 1.00 60.44 O ATOM 1173 CB LYS A 73 -6.952 6.463 -3.413 1.00 22.42 C ATOM 1174 CG LYS A 73 -7.326 7.862 -3.913 1.00 13.45 C ATOM 1175 CD LYS A 73 -6.116 8.650 -4.421 1.00 21.23 C ATOM 1176 CE LYS A 73 -5.125 8.962 -3.305 1.00 61.43 C ATOM 1177 NZ LYS A 73 -4.057 9.890 -3.759 1.00 55.53 N ATOM 0 H LYS A 73 -6.851 4.031 -2.756 1.00 3.30 H new ATOM 0 HA LYS A 73 -8.479 6.234 -1.897 1.00 51.55 H new ATOM 0 HB2 LYS A 73 -6.152 6.550 -2.678 1.00 22.42 H new ATOM 0 HB3 LYS A 73 -6.558 5.881 -4.246 1.00 22.42 H new ATOM 0 HG2 LYS A 73 -8.059 7.773 -4.715 1.00 13.45 H new ATOM 0 HG3 LYS A 73 -7.803 8.417 -3.105 1.00 13.45 H new ATOM 0 HD2 LYS A 73 -5.614 8.079 -5.202 1.00 21.23 H new ATOM 0 HD3 LYS A 73 -6.455 9.581 -4.875 1.00 21.23 H new ATOM 0 HE2 LYS A 73 -5.655 9.403 -2.461 1.00 61.43 H new ATOM 0 HE3 LYS A 73 -4.674 8.035 -2.949 1.00 61.43 H new ATOM 0 HZ1 LYS A 73 -3.403 10.078 -2.972 1.00 55.53 H new ATOM 0 HZ2 LYS A 73 -3.535 9.459 -4.548 1.00 55.53 H new ATOM 0 HZ3 LYS A 73 -4.485 10.784 -4.075 1.00 55.53 H new ATOM 1191 N ASN A 74 -9.482 4.529 -4.485 1.00 52.13 N ATOM 1192 CA ASN A 74 -10.525 4.442 -5.529 1.00 64.14 C ATOM 1193 C ASN A 74 -11.931 4.738 -4.962 1.00 14.32 C ATOM 1194 O ASN A 74 -12.785 5.300 -5.651 1.00 3.52 O ATOM 1195 CB ASN A 74 -10.507 3.064 -6.214 1.00 70.44 C ATOM 1196 CG ASN A 74 -11.055 1.957 -5.334 1.00 11.22 C ATOM 1197 OD1 ASN A 74 -10.957 2.015 -4.119 1.00 44.11 O ATOM 1198 ND2 ASN A 74 -11.638 0.944 -5.942 1.00 52.31 N ATOM 0 H ASN A 74 -8.927 3.681 -4.367 1.00 52.13 H new ATOM 0 HA ASN A 74 -10.297 5.205 -6.273 1.00 64.14 H new ATOM 0 HB2 ASN A 74 -11.092 3.113 -7.133 1.00 70.44 H new ATOM 0 HB3 ASN A 74 -9.484 2.820 -6.500 1.00 70.44 H new ATOM 0 HD21 ASN A 74 -12.025 0.175 -5.395 1.00 52.31 H new ATOM 0 HD22 ASN A 74 -11.702 0.929 -6.960 1.00 52.31 H new ATOM 1205 N LYS A 75 -12.164 4.356 -3.707 1.00 31.34 N ATOM 1206 CA LYS A 75 -13.444 4.614 -3.042 1.00 55.44 C ATOM 1207 C LYS A 75 -13.654 6.122 -2.809 1.00 34.32 C ATOM 1208 O LYS A 75 -14.627 6.707 -3.288 1.00 53.43 O ATOM 1209 CB LYS A 75 -13.502 3.848 -1.711 1.00 2.53 C ATOM 1210 CG LYS A 75 -14.863 3.906 -1.021 1.00 45.13 C ATOM 1211 CD LYS A 75 -14.885 3.070 0.260 1.00 14.41 C ATOM 1212 CE LYS A 75 -16.256 3.078 0.927 1.00 34.32 C ATOM 1213 NZ LYS A 75 -16.642 4.436 1.389 1.00 31.41 N ATOM 0 H LYS A 75 -11.482 3.866 -3.128 1.00 31.34 H new ATOM 0 HA LYS A 75 -14.248 4.264 -3.690 1.00 55.44 H new ATOM 0 HB2 LYS A 75 -13.242 2.805 -1.892 1.00 2.53 H new ATOM 0 HB3 LYS A 75 -12.747 4.253 -1.037 1.00 2.53 H new ATOM 0 HG2 LYS A 75 -15.107 4.942 -0.784 1.00 45.13 H new ATOM 0 HG3 LYS A 75 -15.633 3.546 -1.704 1.00 45.13 H new ATOM 0 HD2 LYS A 75 -14.602 2.044 0.027 1.00 14.41 H new ATOM 0 HD3 LYS A 75 -14.141 3.456 0.957 1.00 14.41 H new ATOM 0 HE2 LYS A 75 -17.003 2.708 0.225 1.00 34.32 H new ATOM 0 HE3 LYS A 75 -16.250 2.394 1.776 1.00 34.32 H new ATOM 0 HZ1 LYS A 75 -17.522 4.378 1.940 1.00 31.41 H new ATOM 0 HZ2 LYS A 75 -15.886 4.828 1.986 1.00 31.41 H new ATOM 0 HZ3 LYS A 75 -16.789 5.054 0.566 1.00 31.41 H new ATOM 1227 N VAL A 76 -12.728 6.753 -2.083 1.00 22.44 N ATOM 1228 CA VAL A 76 -12.795 8.201 -1.826 1.00 45.10 C ATOM 1229 C VAL A 76 -12.627 9.016 -3.126 1.00 53.42 C ATOM 1230 O VAL A 76 -13.052 10.173 -3.215 1.00 63.44 O ATOM 1231 CB VAL A 76 -11.726 8.636 -0.786 1.00 62.21 C ATOM 1232 CG1 VAL A 76 -10.314 8.371 -1.300 1.00 12.44 C ATOM 1233 CG2 VAL A 76 -11.898 10.104 -0.400 1.00 12.04 C ATOM 0 H VAL A 76 -11.923 6.289 -1.662 1.00 22.44 H new ATOM 0 HA VAL A 76 -13.784 8.407 -1.418 1.00 45.10 H new ATOM 0 HB VAL A 76 -11.874 8.033 0.110 1.00 62.21 H new ATOM 0 HG11 VAL A 76 -9.589 8.686 -0.550 1.00 12.44 H new ATOM 0 HG12 VAL A 76 -10.193 7.306 -1.497 1.00 12.44 H new ATOM 0 HG13 VAL A 76 -10.151 8.932 -2.220 1.00 12.44 H new ATOM 0 HG21 VAL A 76 -11.136 10.380 0.329 1.00 12.04 H new ATOM 0 HG22 VAL A 76 -11.794 10.728 -1.288 1.00 12.04 H new ATOM 0 HG23 VAL A 76 -12.887 10.253 0.034 1.00 12.04 H new ATOM 1243 N ALA A 77 -12.020 8.399 -4.135 1.00 43.23 N ATOM 1244 CA ALA A 77 -11.840 9.034 -5.444 1.00 30.52 C ATOM 1245 C ALA A 77 -13.189 9.385 -6.084 1.00 61.03 C ATOM 1246 O ALA A 77 -13.298 10.361 -6.823 1.00 44.33 O ATOM 1247 CB ALA A 77 -11.035 8.132 -6.372 1.00 21.34 C ATOM 0 H ALA A 77 -11.641 7.454 -4.074 1.00 43.23 H new ATOM 0 HA ALA A 77 -11.288 9.961 -5.289 1.00 30.52 H new ATOM 0 HB1 ALA A 77 -10.912 8.621 -7.338 1.00 21.34 H new ATOM 0 HB2 ALA A 77 -10.055 7.942 -5.934 1.00 21.34 H new ATOM 0 HB3 ALA A 77 -11.561 7.187 -6.508 1.00 21.34 H new ATOM 1253 N ALA A 78 -14.218 8.592 -5.779 1.00 35.44 N ATOM 1254 CA ALA A 78 -15.572 8.856 -6.279 1.00 73.52 C ATOM 1255 C ALA A 78 -16.056 10.260 -5.875 1.00 53.24 C ATOM 1256 O ALA A 78 -16.846 10.886 -6.582 1.00 74.14 O ATOM 1257 CB ALA A 78 -16.541 7.793 -5.774 1.00 42.44 C ATOM 0 H ALA A 78 -14.142 7.763 -5.190 1.00 35.44 H new ATOM 0 HA ALA A 78 -15.540 8.815 -7.368 1.00 73.52 H new ATOM 0 HB1 ALA A 78 -17.541 8.003 -6.153 1.00 42.44 H new ATOM 0 HB2 ALA A 78 -16.219 6.812 -6.123 1.00 42.44 H new ATOM 0 HB3 ALA A 78 -16.557 7.803 -4.684 1.00 42.44 H new ATOM 1263 N GLN A 79 -15.566 10.754 -4.734 1.00 41.22 N ATOM 1264 CA GLN A 79 -15.875 12.116 -4.276 1.00 52.14 C ATOM 1265 C GLN A 79 -15.118 13.161 -5.112 1.00 10.11 C ATOM 1266 O GLN A 79 -15.645 14.232 -5.421 1.00 24.21 O ATOM 1267 CB GLN A 79 -15.496 12.285 -2.795 1.00 63.44 C ATOM 1268 CG GLN A 79 -16.169 11.289 -1.858 1.00 73.12 C ATOM 1269 CD GLN A 79 -15.757 11.481 -0.405 1.00 31.24 C ATOM 1270 OE1 GLN A 79 -14.649 11.926 -0.111 1.00 12.52 O ATOM 1271 NE2 GLN A 79 -16.635 11.135 0.512 1.00 30.20 N ATOM 0 H GLN A 79 -14.953 10.232 -4.108 1.00 41.22 H new ATOM 0 HA GLN A 79 -16.947 12.271 -4.398 1.00 52.14 H new ATOM 0 HB2 GLN A 79 -14.415 12.187 -2.695 1.00 63.44 H new ATOM 0 HB3 GLN A 79 -15.755 13.296 -2.479 1.00 63.44 H new ATOM 0 HG2 GLN A 79 -17.251 11.391 -1.941 1.00 73.12 H new ATOM 0 HG3 GLN A 79 -15.920 10.275 -2.172 1.00 73.12 H new ATOM 0 HE21 GLN A 79 -17.546 10.769 0.234 1.00 30.20 H new ATOM 0 HE22 GLN A 79 -16.405 11.233 1.501 1.00 30.20 H new ATOM 1280 N ASN A 80 -13.885 12.827 -5.486 1.00 60.03 N ATOM 1281 CA ASN A 80 -13.005 13.749 -6.218 1.00 41.15 C ATOM 1282 C ASN A 80 -13.100 13.549 -7.739 1.00 25.02 C ATOM 1283 O ASN A 80 -12.464 14.270 -8.510 1.00 71.12 O ATOM 1284 CB ASN A 80 -11.558 13.551 -5.758 1.00 13.15 C ATOM 1285 CG ASN A 80 -11.395 13.801 -4.271 1.00 2.35 C ATOM 1286 OD1 ASN A 80 -11.133 14.922 -3.845 1.00 10.22 O ATOM 1287 ND2 ASN A 80 -11.547 12.766 -3.471 1.00 64.33 N ATOM 0 H ASN A 80 -13.465 11.917 -5.294 1.00 60.03 H new ATOM 0 HA ASN A 80 -13.331 14.766 -5.999 1.00 41.15 H new ATOM 0 HB2 ASN A 80 -11.239 12.535 -5.992 1.00 13.15 H new ATOM 0 HB3 ASN A 80 -10.906 14.226 -6.313 1.00 13.15 H new ATOM 0 HD21 ASN A 80 -11.447 12.882 -2.463 1.00 64.33 H new ATOM 0 HD22 ASN A 80 -11.764 11.848 -3.860 1.00 64.33 H new ATOM 1294 N TYR A 81 -13.884 12.564 -8.161 1.00 33.04 N ATOM 1295 CA TYR A 81 -14.047 12.261 -9.582 1.00 21.51 C ATOM 1296 C TYR A 81 -14.875 13.337 -10.304 1.00 33.42 C ATOM 1297 O TYR A 81 -16.031 13.594 -9.956 1.00 42.42 O ATOM 1298 CB TYR A 81 -14.706 10.890 -9.761 1.00 61.24 C ATOM 1299 CG TYR A 81 -14.847 10.467 -11.213 1.00 41.55 C ATOM 1300 CD1 TYR A 81 -13.723 10.173 -11.980 1.00 43.25 C ATOM 1301 CD2 TYR A 81 -16.097 10.365 -11.820 1.00 63.02 C ATOM 1302 CE1 TYR A 81 -13.840 9.787 -13.301 1.00 34.02 C ATOM 1303 CE2 TYR A 81 -16.219 9.979 -13.141 1.00 11.42 C ATOM 1304 CZ TYR A 81 -15.087 9.693 -13.876 1.00 2.14 C ATOM 1305 OH TYR A 81 -15.201 9.306 -15.192 1.00 40.42 O ATOM 0 H TYR A 81 -14.419 11.958 -7.539 1.00 33.04 H new ATOM 0 HA TYR A 81 -13.053 12.247 -10.029 1.00 21.51 H new ATOM 0 HB2 TYR A 81 -14.119 10.142 -9.229 1.00 61.24 H new ATOM 0 HB3 TYR A 81 -15.693 10.908 -9.299 1.00 61.24 H new ATOM 0 HD1 TYR A 81 -12.742 10.248 -11.534 1.00 43.25 H new ATOM 0 HD2 TYR A 81 -16.985 10.591 -11.249 1.00 63.02 H new ATOM 0 HE1 TYR A 81 -12.957 9.560 -13.880 1.00 34.02 H new ATOM 0 HE2 TYR A 81 -17.195 9.902 -13.596 1.00 11.42 H new ATOM 0 HH TYR A 81 -16.147 9.288 -15.447 1.00 40.42 H new ATOM 1315 N ARG A 82 -14.268 13.967 -11.303 1.00 13.50 N ATOM 1316 CA ARG A 82 -14.972 14.927 -12.152 1.00 65.53 C ATOM 1317 C ARG A 82 -15.903 14.202 -13.139 1.00 35.01 C ATOM 1318 O ARG A 82 -15.486 13.273 -13.832 1.00 61.24 O ATOM 1319 CB ARG A 82 -13.965 15.800 -12.917 1.00 34.50 C ATOM 1320 CG ARG A 82 -12.954 15.005 -13.745 1.00 34.31 C ATOM 1321 CD ARG A 82 -12.053 15.919 -14.569 1.00 53.43 C ATOM 1322 NE ARG A 82 -12.809 16.684 -15.561 1.00 60.22 N ATOM 1323 CZ ARG A 82 -12.317 17.658 -16.275 1.00 40.43 C ATOM 1324 NH1 ARG A 82 -11.083 18.028 -16.133 1.00 4.52 N ATOM 1325 NH2 ARG A 82 -13.073 18.267 -17.127 1.00 61.32 N ATOM 0 H ARG A 82 -13.287 13.831 -11.547 1.00 13.50 H new ATOM 0 HA ARG A 82 -15.580 15.567 -11.513 1.00 65.53 H new ATOM 0 HB2 ARG A 82 -14.512 16.472 -13.578 1.00 34.50 H new ATOM 0 HB3 ARG A 82 -13.425 16.423 -12.204 1.00 34.50 H new ATOM 0 HG2 ARG A 82 -12.342 14.393 -13.082 1.00 34.31 H new ATOM 0 HG3 ARG A 82 -13.485 14.323 -14.409 1.00 34.31 H new ATOM 0 HD2 ARG A 82 -11.528 16.606 -13.905 1.00 53.43 H new ATOM 0 HD3 ARG A 82 -11.294 15.321 -15.074 1.00 53.43 H new ATOM 0 HE ARG A 82 -13.789 16.438 -15.704 1.00 60.22 H new ATOM 0 HH11 ARG A 82 -10.484 17.556 -15.456 1.00 4.52 H new ATOM 0 HH12 ARG A 82 -10.711 18.791 -16.698 1.00 4.52 H new ATOM 0 HH21 ARG A 82 -14.047 17.985 -17.237 1.00 61.32 H new ATOM 0 HH22 ARG A 82 -12.696 19.030 -17.689 1.00 61.32 H new ATOM 1339 N LYS A 83 -17.163 14.626 -13.198 1.00 2.25 N ATOM 1340 CA LYS A 83 -18.145 14.010 -14.102 1.00 14.35 C ATOM 1341 C LYS A 83 -18.050 14.592 -15.524 1.00 10.13 C ATOM 1342 O LYS A 83 -17.503 15.676 -15.731 1.00 4.51 O ATOM 1343 CB LYS A 83 -19.573 14.177 -13.549 1.00 54.04 C ATOM 1344 CG LYS A 83 -19.952 13.157 -12.467 1.00 20.44 C ATOM 1345 CD LYS A 83 -19.087 13.266 -11.208 1.00 32.32 C ATOM 1346 CE LYS A 83 -19.273 14.603 -10.502 1.00 72.21 C ATOM 1347 NZ LYS A 83 -18.479 14.685 -9.247 1.00 24.33 N ATOM 0 H LYS A 83 -17.533 15.391 -12.634 1.00 2.25 H new ATOM 0 HA LYS A 83 -17.913 12.947 -14.161 1.00 14.35 H new ATOM 0 HB2 LYS A 83 -19.676 15.181 -13.138 1.00 54.04 H new ATOM 0 HB3 LYS A 83 -20.282 14.096 -14.373 1.00 54.04 H new ATOM 0 HG2 LYS A 83 -20.998 13.297 -12.195 1.00 20.44 H new ATOM 0 HG3 LYS A 83 -19.861 12.151 -12.877 1.00 20.44 H new ATOM 0 HD2 LYS A 83 -19.340 12.456 -10.523 1.00 32.32 H new ATOM 0 HD3 LYS A 83 -18.038 13.141 -11.477 1.00 32.32 H new ATOM 0 HE2 LYS A 83 -18.977 15.411 -11.171 1.00 72.21 H new ATOM 0 HE3 LYS A 83 -20.329 14.749 -10.273 1.00 72.21 H new ATOM 0 HZ1 LYS A 83 -18.469 15.667 -8.906 1.00 24.33 H new ATOM 0 HZ2 LYS A 83 -18.907 14.072 -8.524 1.00 24.33 H new ATOM 0 HZ3 LYS A 83 -17.504 14.373 -9.432 1.00 24.33 H new ATOM 1361 N ARG A 84 -18.589 13.860 -16.496 1.00 22.20 N ATOM 1362 CA ARG A 84 -18.535 14.270 -17.905 1.00 34.14 C ATOM 1363 C ARG A 84 -19.486 15.437 -18.208 1.00 32.43 C ATOM 1364 O ARG A 84 -20.536 15.586 -17.577 1.00 33.45 O ATOM 1365 CB ARG A 84 -18.877 13.080 -18.813 1.00 21.14 C ATOM 1366 CG ARG A 84 -20.263 12.490 -18.555 1.00 5.01 C ATOM 1367 CD ARG A 84 -20.655 11.452 -19.603 1.00 74.24 C ATOM 1368 NE ARG A 84 -21.918 10.792 -19.274 1.00 34.42 N ATOM 1369 CZ ARG A 84 -22.890 10.594 -20.119 1.00 55.34 C ATOM 1370 NH1 ARG A 84 -22.798 10.995 -21.350 1.00 61.43 N ATOM 1371 NH2 ARG A 84 -23.952 9.972 -19.731 1.00 53.51 N ATOM 0 H ARG A 84 -19.071 12.975 -16.337 1.00 22.20 H new ATOM 0 HA ARG A 84 -17.519 14.610 -18.103 1.00 34.14 H new ATOM 0 HB2 ARG A 84 -18.815 13.399 -19.854 1.00 21.14 H new ATOM 0 HB3 ARG A 84 -18.128 12.300 -18.673 1.00 21.14 H new ATOM 0 HG2 ARG A 84 -20.282 12.030 -17.567 1.00 5.01 H new ATOM 0 HG3 ARG A 84 -21.001 13.292 -18.547 1.00 5.01 H new ATOM 0 HD2 ARG A 84 -20.741 11.934 -20.577 1.00 74.24 H new ATOM 0 HD3 ARG A 84 -19.866 10.705 -19.686 1.00 74.24 H new ATOM 0 HE ARG A 84 -22.047 10.464 -18.317 1.00 34.42 H new ATOM 0 HH11 ARG A 84 -21.955 11.473 -21.669 1.00 61.43 H new ATOM 0 HH12 ARG A 84 -23.568 10.832 -21.998 1.00 61.43 H new ATOM 0 HH21 ARG A 84 -24.026 9.640 -18.769 1.00 53.51 H new ATOM 0 HH22 ARG A 84 -24.718 9.813 -20.386 1.00 53.51 H new ATOM 1385 N LYS A 85 -19.108 16.255 -19.185 1.00 13.01 N ATOM 1386 CA LYS A 85 -19.964 17.340 -19.670 1.00 14.34 C ATOM 1387 C LYS A 85 -20.970 16.804 -20.701 1.00 10.12 C ATOM 1388 O LYS A 85 -20.618 15.987 -21.556 1.00 51.13 O ATOM 1389 CB LYS A 85 -19.103 18.459 -20.287 1.00 34.25 C ATOM 1390 CG LYS A 85 -19.905 19.556 -20.996 1.00 4.31 C ATOM 1391 CD LYS A 85 -20.887 20.265 -20.062 1.00 14.15 C ATOM 1392 CE LYS A 85 -21.739 21.284 -20.814 1.00 63.21 C ATOM 1393 NZ LYS A 85 -22.677 22.005 -19.911 1.00 62.22 N ATOM 0 H LYS A 85 -18.209 16.189 -19.661 1.00 13.01 H new ATOM 0 HA LYS A 85 -20.520 17.753 -18.828 1.00 14.34 H new ATOM 0 HB2 LYS A 85 -18.503 18.915 -19.500 1.00 34.25 H new ATOM 0 HB3 LYS A 85 -18.408 18.015 -21.000 1.00 34.25 H new ATOM 0 HG2 LYS A 85 -19.217 20.289 -21.417 1.00 4.31 H new ATOM 0 HG3 LYS A 85 -20.454 19.118 -21.830 1.00 4.31 H new ATOM 0 HD2 LYS A 85 -21.534 19.528 -19.586 1.00 14.15 H new ATOM 0 HD3 LYS A 85 -20.336 20.766 -19.266 1.00 14.15 H new ATOM 0 HE2 LYS A 85 -21.088 22.004 -21.310 1.00 63.21 H new ATOM 0 HE3 LYS A 85 -22.306 20.776 -21.594 1.00 63.21 H new ATOM 0 HZ1 LYS A 85 -23.235 22.687 -20.463 1.00 62.22 H new ATOM 0 HZ2 LYS A 85 -23.316 21.322 -19.457 1.00 62.22 H new ATOM 0 HZ3 LYS A 85 -22.136 22.511 -19.181 1.00 62.22 H new ATOM 1407 N LEU A 86 -22.217 17.253 -20.606 1.00 32.23 N ATOM 1408 CA LEU A 86 -23.268 16.833 -21.541 1.00 24.12 C ATOM 1409 C LEU A 86 -22.985 17.317 -22.976 1.00 74.43 C ATOM 1410 O LEU A 86 -22.211 18.251 -23.196 1.00 24.05 O ATOM 1411 CB LEU A 86 -24.635 17.354 -21.073 1.00 33.22 C ATOM 1412 CG LEU A 86 -25.141 16.775 -19.739 1.00 31.15 C ATOM 1413 CD1 LEU A 86 -26.512 17.352 -19.383 1.00 42.30 C ATOM 1414 CD2 LEU A 86 -25.196 15.249 -19.809 1.00 61.53 C ATOM 0 H LEU A 86 -22.530 17.909 -19.891 1.00 32.23 H new ATOM 0 HA LEU A 86 -23.279 15.743 -21.553 1.00 24.12 H new ATOM 0 HB2 LEU A 86 -24.579 18.439 -20.981 1.00 33.22 H new ATOM 0 HB3 LEU A 86 -25.372 17.137 -21.846 1.00 33.22 H new ATOM 0 HG LEU A 86 -24.442 17.059 -18.952 1.00 31.15 H new ATOM 0 HD11 LEU A 86 -26.850 16.929 -18.437 1.00 42.30 H new ATOM 0 HD12 LEU A 86 -26.438 18.436 -19.290 1.00 42.30 H new ATOM 0 HD13 LEU A 86 -27.226 17.103 -20.168 1.00 42.30 H new ATOM 0 HD21 LEU A 86 -25.555 14.854 -18.859 1.00 61.53 H new ATOM 0 HD22 LEU A 86 -25.873 14.946 -20.608 1.00 61.53 H new ATOM 0 HD23 LEU A 86 -24.199 14.858 -20.011 1.00 61.53 H new ATOM 1426 N GLU A 87 -23.627 16.667 -23.940 1.00 4.14 N ATOM 1427 CA GLU A 87 -23.464 16.994 -25.363 1.00 24.43 C ATOM 1428 C GLU A 87 -24.237 18.270 -25.738 1.00 70.41 C ATOM 1429 O GLU A 87 -24.632 19.051 -24.870 1.00 22.13 O ATOM 1430 CB GLU A 87 -23.972 15.816 -26.203 1.00 72.14 C ATOM 1431 CG GLU A 87 -25.467 15.567 -26.041 1.00 33.50 C ATOM 1432 CD GLU A 87 -25.924 14.281 -26.702 1.00 33.04 C ATOM 1433 OE1 GLU A 87 -26.132 14.280 -27.933 1.00 62.43 O ATOM 1434 OE2 GLU A 87 -26.076 13.264 -25.991 1.00 2.54 O ATOM 0 H GLU A 87 -24.275 15.899 -23.764 1.00 4.14 H new ATOM 0 HA GLU A 87 -22.407 17.174 -25.561 1.00 24.43 H new ATOM 0 HB2 GLU A 87 -23.753 16.006 -27.254 1.00 72.14 H new ATOM 0 HB3 GLU A 87 -23.427 14.915 -25.921 1.00 72.14 H new ATOM 0 HG2 GLU A 87 -25.712 15.531 -24.979 1.00 33.50 H new ATOM 0 HG3 GLU A 87 -26.018 16.405 -26.467 1.00 33.50 H new ATOM 1441 N THR A 88 -24.435 18.481 -27.039 1.00 44.11 N ATOM 1442 CA THR A 88 -25.245 19.602 -27.535 1.00 74.34 C ATOM 1443 C THR A 88 -26.614 19.662 -26.841 1.00 34.45 C ATOM 1444 O THR A 88 -27.432 18.747 -26.974 1.00 24.32 O ATOM 1445 CB THR A 88 -25.472 19.505 -29.062 1.00 5.43 C ATOM 1446 OG1 THR A 88 -26.072 18.239 -29.404 1.00 72.34 O ATOM 1447 CG2 THR A 88 -24.162 19.665 -29.823 1.00 44.42 C ATOM 0 H THR A 88 -24.046 17.890 -27.774 1.00 44.11 H new ATOM 0 HA THR A 88 -24.684 20.508 -27.307 1.00 74.34 H new ATOM 0 HB THR A 88 -26.145 20.314 -29.347 1.00 5.43 H new ATOM 0 HG1 THR A 88 -26.776 18.025 -28.756 1.00 72.34 H new ATOM 0 HG21 THR A 88 -24.352 19.592 -30.894 1.00 44.42 H new ATOM 0 HG22 THR A 88 -23.726 20.638 -29.597 1.00 44.42 H new ATOM 0 HG23 THR A 88 -23.469 18.879 -29.523 1.00 44.42 H new ATOM 1455 N ILE A 89 -26.864 20.747 -26.110 1.00 33.35 N ATOM 1456 CA ILE A 89 -28.097 20.890 -25.327 1.00 30.03 C ATOM 1457 C ILE A 89 -29.317 21.151 -26.225 1.00 3.41 C ATOM 1458 O ILE A 89 -29.352 22.119 -26.984 1.00 53.32 O ATOM 1459 CB ILE A 89 -27.971 22.031 -24.285 1.00 13.33 C ATOM 1460 CG1 ILE A 89 -26.773 21.779 -23.349 1.00 53.11 C ATOM 1461 CG2 ILE A 89 -29.262 22.185 -23.475 1.00 1.40 C ATOM 1462 CD1 ILE A 89 -26.874 20.501 -22.536 1.00 64.43 C ATOM 0 H ILE A 89 -26.230 21.543 -26.042 1.00 33.35 H new ATOM 0 HA ILE A 89 -28.246 19.944 -24.806 1.00 30.03 H new ATOM 0 HB ILE A 89 -27.800 22.962 -24.826 1.00 13.33 H new ATOM 0 HG12 ILE A 89 -25.861 21.745 -23.946 1.00 53.11 H new ATOM 0 HG13 ILE A 89 -26.676 22.623 -22.667 1.00 53.11 H new ATOM 0 HG21 ILE A 89 -29.144 22.992 -22.752 1.00 1.40 H new ATOM 0 HG22 ILE A 89 -30.088 22.418 -24.147 1.00 1.40 H new ATOM 0 HG23 ILE A 89 -29.474 21.255 -22.948 1.00 1.40 H new ATOM 0 HD11 ILE A 89 -25.991 20.401 -21.905 1.00 64.43 H new ATOM 0 HD12 ILE A 89 -27.765 20.538 -21.910 1.00 64.43 H new ATOM 0 HD13 ILE A 89 -26.938 19.646 -23.209 1.00 64.43 H new ATOM 1474 N VAL A 90 -30.317 20.275 -26.128 1.00 20.34 N ATOM 1475 CA VAL A 90 -31.565 20.423 -26.889 1.00 24.34 C ATOM 1476 C VAL A 90 -32.413 21.598 -26.370 1.00 40.22 C ATOM 1477 O VAL A 90 -32.050 22.261 -25.391 1.00 32.41 O ATOM 1478 CB VAL A 90 -32.410 19.123 -26.829 1.00 34.43 C ATOM 1479 CG1 VAL A 90 -31.636 17.946 -27.421 1.00 32.34 C ATOM 1480 CG2 VAL A 90 -32.844 18.819 -25.392 1.00 44.15 C ATOM 0 H VAL A 90 -30.290 19.451 -25.528 1.00 20.34 H new ATOM 0 HA VAL A 90 -31.281 20.625 -27.922 1.00 24.34 H new ATOM 0 HB VAL A 90 -33.308 19.276 -27.428 1.00 34.43 H new ATOM 0 HG11 VAL A 90 -32.247 17.045 -27.369 1.00 32.34 H new ATOM 0 HG12 VAL A 90 -31.391 18.158 -28.462 1.00 32.34 H new ATOM 0 HG13 VAL A 90 -30.717 17.794 -26.856 1.00 32.34 H new ATOM 0 HG21 VAL A 90 -33.435 17.903 -25.376 1.00 44.15 H new ATOM 0 HG22 VAL A 90 -31.962 18.692 -24.765 1.00 44.15 H new ATOM 0 HG23 VAL A 90 -33.445 19.645 -25.011 1.00 44.15 H new ATOM 1490 N GLN A 91 -33.538 21.863 -27.032 1.00 71.50 N ATOM 1491 CA GLN A 91 -34.461 22.916 -26.587 1.00 50.13 C ATOM 1492 C GLN A 91 -35.393 22.423 -25.456 1.00 20.22 C ATOM 1493 O GLN A 91 -35.069 22.663 -24.270 1.00 37.52 O ATOM 1494 CB GLN A 91 -35.270 23.468 -27.777 1.00 71.21 C ATOM 1495 CG GLN A 91 -35.873 22.399 -28.690 1.00 2.35 C ATOM 1496 CD GLN A 91 -36.725 22.995 -29.797 1.00 11.13 C ATOM 1497 OE1 GLN A 91 -36.236 23.312 -30.878 1.00 5.41 O ATOM 1498 NE2 GLN A 91 -38.005 23.156 -29.536 1.00 32.14 N ATOM 1499 OXT GLN A 91 -36.432 21.785 -25.745 1.00 37.52 O ATOM 0 H GLN A 91 -33.835 21.369 -27.874 1.00 71.50 H new ATOM 0 HA GLN A 91 -33.862 23.728 -26.175 1.00 50.13 H new ATOM 0 HB2 GLN A 91 -36.075 24.094 -27.392 1.00 71.21 H new ATOM 0 HB3 GLN A 91 -34.622 24.112 -28.372 1.00 71.21 H new ATOM 0 HG2 GLN A 91 -35.071 21.808 -29.131 1.00 2.35 H new ATOM 0 HG3 GLN A 91 -36.481 21.718 -28.095 1.00 2.35 H new ATOM 0 HE21 GLN A 91 -38.379 22.882 -28.627 1.00 32.14 H new ATOM 0 HE22 GLN A 91 -38.623 23.555 -30.242 1.00 32.14 H new TER 1508 GLN A 91