USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 743 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 78 ASN : amide:sc= 0.622 K(o=3.1,f=1.1) USER MOD Set 1.2: A 81 ASN : amide:sc= 2.47 K(o=3.1,f=-1.1) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.0223 K(o=0.092,f=-0.67) USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 75 TYR OH : rot 30:sc= 0.0694 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00455) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0482 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc=-0.000221 K(o=-0.00022,f=-0.82) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 1.05 K(o=1,f=-3.2!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0051 X(o=-0.0051,f=-0.0051) USER MOD Single : A 7 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.5!) USER MOD Single : A 8 HIS : no HE2:sc= 0.0298 K(o=0.03,f=-2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00661 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc=-0.00549 X(o=-0.0055,f=0) USER MOD Single : A 43 GLN : amide:sc= 1.26 K(o=1.3,f=-5!) USER MOD Single : A 51 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.62) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.584 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0893 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.065 10.339 10.487 1.00 0.00 N ATOM 2 CA MET A 1 -33.505 9.747 9.245 1.00 0.00 C ATOM 3 C MET A 1 -33.831 8.248 9.189 1.00 0.00 C ATOM 4 O MET A 1 -33.913 7.585 10.227 1.00 0.00 O ATOM 5 CB MET A 1 -31.982 9.969 9.109 1.00 0.00 C ATOM 6 CG MET A 1 -31.580 11.449 8.990 1.00 0.00 C ATOM 7 SD MET A 1 -29.856 11.764 8.496 1.00 0.00 S ATOM 8 CE MET A 1 -28.943 10.971 9.851 1.00 0.00 C ATOM 0 H1 MET A 1 -34.849 10.978 10.244 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.415 9.580 11.106 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.323 10.874 10.982 1.00 0.00 H new ATOM 0 HA MET A 1 -33.973 10.260 8.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -31.482 9.535 9.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.623 9.433 8.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 -32.239 11.928 8.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.757 11.933 9.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.873 11.115 9.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.240 11.417 10.800 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.167 9.904 9.865 1.00 0.00 H new ATOM 20 N GLY A 2 -34.006 7.695 7.982 1.00 0.00 N ATOM 21 CA GLY A 2 -34.352 6.284 7.778 1.00 0.00 C ATOM 22 C GLY A 2 -33.228 5.319 8.176 1.00 0.00 C ATOM 23 O GLY A 2 -33.494 4.144 8.439 1.00 0.00 O ATOM 0 H GLY A 2 -33.910 8.220 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -35.245 6.049 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -34.602 6.127 6.729 1.00 0.00 H new ATOM 27 N HIS A 3 -31.988 5.807 8.248 1.00 0.00 N ATOM 28 CA HIS A 3 -30.800 5.088 8.692 1.00 0.00 C ATOM 29 C HIS A 3 -29.886 6.099 9.392 1.00 0.00 C ATOM 30 O HIS A 3 -30.019 7.307 9.187 1.00 0.00 O ATOM 31 CB HIS A 3 -30.112 4.398 7.495 1.00 0.00 C ATOM 32 CG HIS A 3 -30.122 5.184 6.202 1.00 0.00 C ATOM 33 ND1 HIS A 3 -30.893 4.913 5.092 1.00 0.00 N ATOM 34 CD2 HIS A 3 -29.407 6.318 5.921 1.00 0.00 C ATOM 35 CE1 HIS A 3 -30.653 5.862 4.173 1.00 0.00 C ATOM 36 NE2 HIS A 3 -29.753 6.750 4.634 1.00 0.00 N ATOM 0 H HIS A 3 -31.778 6.769 7.982 1.00 0.00 H new ATOM 0 HA HIS A 3 -31.056 4.294 9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -29.077 4.187 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -30.599 3.438 7.321 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -31.535 4.127 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -28.698 6.797 6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -31.118 5.907 3.199 1.00 0.00 H new ATOM 44 N HIS A 4 -28.953 5.616 10.215 1.00 0.00 N ATOM 45 CA HIS A 4 -28.133 6.431 11.119 1.00 0.00 C ATOM 46 C HIS A 4 -26.950 7.109 10.395 1.00 0.00 C ATOM 47 O HIS A 4 -25.864 7.248 10.962 1.00 0.00 O ATOM 48 CB HIS A 4 -27.671 5.554 12.299 1.00 0.00 C ATOM 49 CG HIS A 4 -28.805 4.890 13.047 1.00 0.00 C ATOM 50 ND1 HIS A 4 -29.780 5.522 13.788 1.00 0.00 N ATOM 51 CD2 HIS A 4 -29.058 3.544 13.113 1.00 0.00 C ATOM 52 CE1 HIS A 4 -30.601 4.582 14.285 1.00 0.00 C ATOM 53 NE2 HIS A 4 -30.202 3.353 13.901 1.00 0.00 N ATOM 0 H HIS A 4 -28.740 4.620 10.274 1.00 0.00 H new ATOM 0 HA HIS A 4 -28.740 7.251 11.501 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -26.995 4.785 11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -27.100 6.169 12.995 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -28.477 2.766 12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -31.461 4.783 14.906 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -30.643 2.464 14.136 1.00 0.00 H new ATOM 61 N HIS A 5 -27.135 7.491 9.131 1.00 0.00 N ATOM 62 CA HIS A 5 -26.121 8.059 8.250 1.00 0.00 C ATOM 63 C HIS A 5 -26.781 9.118 7.366 1.00 0.00 C ATOM 64 O HIS A 5 -27.999 9.103 7.181 1.00 0.00 O ATOM 65 CB HIS A 5 -25.509 6.951 7.377 1.00 0.00 C ATOM 66 CG HIS A 5 -24.510 6.079 8.097 1.00 0.00 C ATOM 67 ND1 HIS A 5 -23.147 6.258 8.101 1.00 0.00 N ATOM 68 CD2 HIS A 5 -24.772 4.961 8.843 1.00 0.00 C ATOM 69 CE1 HIS A 5 -22.598 5.278 8.835 1.00 0.00 C ATOM 70 NE2 HIS A 5 -23.551 4.456 9.315 1.00 0.00 N ATOM 0 H HIS A 5 -28.043 7.407 8.673 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.326 8.514 8.841 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.312 6.323 6.991 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -25.021 7.409 6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -22.641 7.006 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.748 4.541 9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -21.539 5.164 9.016 1.00 0.00 H new ATOM 78 N HIS A 6 -25.977 10.020 6.796 1.00 0.00 N ATOM 79 CA HIS A 6 -26.470 11.091 5.930 1.00 0.00 C ATOM 80 C HIS A 6 -27.127 10.545 4.654 1.00 0.00 C ATOM 81 O HIS A 6 -28.017 11.190 4.096 1.00 0.00 O ATOM 82 CB HIS A 6 -25.313 12.033 5.567 1.00 0.00 C ATOM 83 CG HIS A 6 -24.596 12.607 6.766 1.00 0.00 C ATOM 84 ND1 HIS A 6 -23.298 12.344 7.151 1.00 0.00 N ATOM 85 CD2 HIS A 6 -25.121 13.476 7.688 1.00 0.00 C ATOM 86 CE1 HIS A 6 -23.048 13.038 8.274 1.00 0.00 C ATOM 87 NE2 HIS A 6 -24.132 13.748 8.645 1.00 0.00 N ATOM 0 H HIS A 6 -24.965 10.027 6.923 1.00 0.00 H new ATOM 0 HA HIS A 6 -27.236 11.639 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.595 11.491 4.951 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -25.700 12.852 4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -26.122 13.881 7.679 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.108 13.028 8.806 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.216 14.359 9.457 1.00 0.00 H new ATOM 95 N HIS A 7 -26.693 9.370 4.188 1.00 0.00 N ATOM 96 CA HIS A 7 -27.230 8.655 3.038 1.00 0.00 C ATOM 97 C HIS A 7 -26.887 7.168 3.184 1.00 0.00 C ATOM 98 O HIS A 7 -26.111 6.786 4.067 1.00 0.00 O ATOM 99 CB HIS A 7 -26.661 9.243 1.732 1.00 0.00 C ATOM 100 CG HIS A 7 -25.153 9.345 1.683 1.00 0.00 C ATOM 101 ND1 HIS A 7 -24.259 8.311 1.514 1.00 0.00 N ATOM 102 CD2 HIS A 7 -24.417 10.497 1.786 1.00 0.00 C ATOM 103 CE1 HIS A 7 -23.019 8.826 1.518 1.00 0.00 C ATOM 104 NE2 HIS A 7 -23.060 10.162 1.681 1.00 0.00 N ATOM 0 H HIS A 7 -25.919 8.872 4.628 1.00 0.00 H new ATOM 0 HA HIS A 7 -28.314 8.765 2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -26.996 8.627 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.083 10.237 1.584 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -24.497 7.325 1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -24.814 11.492 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.113 8.248 1.406 1.00 0.00 H new ATOM 112 N HIS A 8 -27.449 6.336 2.303 1.00 0.00 N ATOM 113 CA HIS A 8 -27.146 4.912 2.216 1.00 0.00 C ATOM 114 C HIS A 8 -25.667 4.679 1.872 1.00 0.00 C ATOM 115 O HIS A 8 -25.005 5.577 1.339 1.00 0.00 O ATOM 116 CB HIS A 8 -28.079 4.260 1.175 1.00 0.00 C ATOM 117 CG HIS A 8 -28.038 4.866 -0.215 1.00 0.00 C ATOM 118 ND1 HIS A 8 -26.977 5.514 -0.814 1.00 0.00 N ATOM 119 CD2 HIS A 8 -29.065 4.863 -1.122 1.00 0.00 C ATOM 120 CE1 HIS A 8 -27.357 5.893 -2.046 1.00 0.00 C ATOM 121 NE2 HIS A 8 -28.628 5.517 -2.283 1.00 0.00 N ATOM 0 H HIS A 8 -28.140 6.643 1.619 1.00 0.00 H new ATOM 0 HA HIS A 8 -27.320 4.447 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -27.825 3.203 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.102 4.316 1.546 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -26.062 5.677 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -30.043 4.431 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.731 6.424 -2.747 1.00 0.00 H new ATOM 129 N LEU A 9 -25.193 3.445 2.078 1.00 0.00 N ATOM 130 CA LEU A 9 -23.841 2.977 1.780 1.00 0.00 C ATOM 131 C LEU A 9 -22.765 3.974 2.231 1.00 0.00 C ATOM 132 O LEU A 9 -21.913 4.415 1.459 1.00 0.00 O ATOM 133 CB LEU A 9 -23.791 2.538 0.309 1.00 0.00 C ATOM 134 CG LEU A 9 -22.532 1.748 -0.112 1.00 0.00 C ATOM 135 CD1 LEU A 9 -22.307 0.487 0.734 1.00 0.00 C ATOM 136 CD2 LEU A 9 -22.664 1.342 -1.585 1.00 0.00 C ATOM 0 H LEU A 9 -25.776 2.710 2.478 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.594 2.096 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.668 1.925 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -23.867 3.426 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 9 -21.674 2.402 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -21.408 -0.026 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -22.188 0.767 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -23.165 -0.178 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -21.779 0.784 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -23.548 0.718 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.759 2.236 -2.202 1.00 0.00 H new ATOM 148 N ASP A 10 -22.833 4.327 3.515 1.00 0.00 N ATOM 149 CA ASP A 10 -21.912 5.246 4.196 1.00 0.00 C ATOM 150 C ASP A 10 -21.295 4.582 5.440 1.00 0.00 C ATOM 151 O ASP A 10 -20.589 5.217 6.221 1.00 0.00 O ATOM 152 CB ASP A 10 -22.667 6.536 4.543 1.00 0.00 C ATOM 153 CG ASP A 10 -21.758 7.621 5.147 1.00 0.00 C ATOM 154 OD1 ASP A 10 -20.797 8.056 4.473 1.00 0.00 O ATOM 155 OD2 ASP A 10 -22.037 8.075 6.282 1.00 0.00 O ATOM 0 H ASP A 10 -23.558 3.968 4.136 1.00 0.00 H new ATOM 0 HA ASP A 10 -21.081 5.496 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -23.141 6.927 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -23.465 6.305 5.248 1.00 0.00 H new ATOM 160 N SER A 11 -21.546 3.281 5.624 1.00 0.00 N ATOM 161 CA SER A 11 -21.113 2.474 6.761 1.00 0.00 C ATOM 162 C SER A 11 -19.584 2.298 6.850 1.00 0.00 C ATOM 163 O SER A 11 -19.083 1.814 7.869 1.00 0.00 O ATOM 164 CB SER A 11 -21.796 1.101 6.660 1.00 0.00 C ATOM 165 OG SER A 11 -23.160 1.229 6.268 1.00 0.00 O ATOM 0 H SER A 11 -22.084 2.739 4.948 1.00 0.00 H new ATOM 0 HA SER A 11 -21.403 3.000 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.265 0.480 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.738 0.592 7.622 1.00 0.00 H new ATOM 0 HG SER A 11 -23.569 0.340 6.210 1.00 0.00 H new ATOM 171 N TYR A 12 -18.845 2.652 5.791 1.00 0.00 N ATOM 172 CA TYR A 12 -17.390 2.567 5.736 1.00 0.00 C ATOM 173 C TYR A 12 -16.729 3.414 6.829 1.00 0.00 C ATOM 174 O TYR A 12 -17.291 4.410 7.295 1.00 0.00 O ATOM 175 CB TYR A 12 -16.897 3.000 4.347 1.00 0.00 C ATOM 176 CG TYR A 12 -17.212 1.995 3.257 1.00 0.00 C ATOM 177 CD1 TYR A 12 -16.483 0.793 3.201 1.00 0.00 C ATOM 178 CD2 TYR A 12 -18.228 2.246 2.312 1.00 0.00 C ATOM 179 CE1 TYR A 12 -16.764 -0.161 2.211 1.00 0.00 C ATOM 180 CE2 TYR A 12 -18.510 1.296 1.313 1.00 0.00 C ATOM 181 CZ TYR A 12 -17.779 0.085 1.258 1.00 0.00 C ATOM 182 OH TYR A 12 -18.037 -0.847 0.296 1.00 0.00 O ATOM 0 H TYR A 12 -19.257 3.013 4.931 1.00 0.00 H new ATOM 0 HA TYR A 12 -17.105 1.530 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -17.351 3.957 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -15.819 3.158 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -15.703 0.604 3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -18.790 3.167 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -16.204 -1.084 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -19.285 1.491 0.587 1.00 0.00 H new ATOM 0 HH TYR A 12 -18.763 -0.529 -0.281 1.00 0.00 H new ATOM 192 N ALA A 13 -15.504 3.029 7.196 1.00 0.00 N ATOM 193 CA ALA A 13 -14.678 3.726 8.180 1.00 0.00 C ATOM 194 C ALA A 13 -13.166 3.624 7.899 1.00 0.00 C ATOM 195 O ALA A 13 -12.492 4.635 8.116 1.00 0.00 O ATOM 196 CB ALA A 13 -15.003 3.223 9.595 1.00 0.00 C ATOM 0 H ALA A 13 -15.050 2.203 6.806 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.926 4.784 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.382 3.749 10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.054 3.409 9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.804 2.153 9.655 1.00 0.00 H new ATOM 202 N PRO A 14 -12.595 2.490 7.431 1.00 0.00 N ATOM 203 CA PRO A 14 -11.182 2.431 7.057 1.00 0.00 C ATOM 204 C PRO A 14 -10.804 3.496 6.022 1.00 0.00 C ATOM 205 O PRO A 14 -11.563 3.766 5.087 1.00 0.00 O ATOM 206 CB PRO A 14 -10.943 1.019 6.509 1.00 0.00 C ATOM 207 CG PRO A 14 -12.005 0.190 7.222 1.00 0.00 C ATOM 208 CD PRO A 14 -13.181 1.159 7.310 1.00 0.00 C ATOM 0 HA PRO A 14 -10.554 2.638 7.923 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.061 0.981 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.937 0.664 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.262 -0.709 6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.672 -0.134 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.812 1.089 6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.812 0.930 8.169 1.00 0.00 H new ATOM 216 N ARG A 15 -9.594 4.051 6.140 1.00 0.00 N ATOM 217 CA ARG A 15 -9.018 5.005 5.185 1.00 0.00 C ATOM 218 C ARG A 15 -8.394 4.226 4.014 1.00 0.00 C ATOM 219 O ARG A 15 -7.248 4.478 3.633 1.00 0.00 O ATOM 220 CB ARG A 15 -8.035 5.926 5.951 1.00 0.00 C ATOM 221 CG ARG A 15 -7.807 7.283 5.262 1.00 0.00 C ATOM 222 CD ARG A 15 -7.033 8.280 6.147 1.00 0.00 C ATOM 223 NE ARG A 15 -5.616 7.908 6.350 1.00 0.00 N ATOM 224 CZ ARG A 15 -4.545 8.472 5.768 1.00 0.00 C ATOM 225 NH1 ARG A 15 -4.676 9.468 4.893 1.00 0.00 N ATOM 226 NH2 ARG A 15 -3.330 8.009 6.025 1.00 0.00 N ATOM 0 H ARG A 15 -8.972 3.845 6.921 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.769 5.657 4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.418 6.097 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.078 5.415 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.258 7.126 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.771 7.715 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.080 9.270 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.525 8.351 7.117 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.433 7.143 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.604 9.817 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.848 9.881 4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.208 7.224 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.517 8.438 5.583 1.00 0.00 H new ATOM 240 N ALA A 16 -9.107 3.223 3.491 1.00 0.00 N ATOM 241 CA ALA A 16 -8.588 2.249 2.538 1.00 0.00 C ATOM 242 C ALA A 16 -9.587 1.915 1.428 1.00 0.00 C ATOM 243 O ALA A 16 -10.758 2.295 1.493 1.00 0.00 O ATOM 244 CB ALA A 16 -8.189 0.980 3.303 1.00 0.00 C ATOM 0 H ALA A 16 -10.087 3.066 3.728 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.720 2.686 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.798 0.241 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.422 1.224 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.062 0.572 3.812 1.00 0.00 H new ATOM 250 N GLU A 17 -9.105 1.184 0.421 1.00 0.00 N ATOM 251 CA GLU A 17 -9.849 0.796 -0.771 1.00 0.00 C ATOM 252 C GLU A 17 -10.317 -0.663 -0.641 1.00 0.00 C ATOM 253 O GLU A 17 -9.871 -1.398 0.248 1.00 0.00 O ATOM 254 CB GLU A 17 -8.953 0.971 -2.016 1.00 0.00 C ATOM 255 CG GLU A 17 -8.353 2.380 -2.183 1.00 0.00 C ATOM 256 CD GLU A 17 -9.422 3.487 -2.210 1.00 0.00 C ATOM 257 OE1 GLU A 17 -10.235 3.532 -3.162 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.451 4.338 -1.292 1.00 0.00 O ATOM 0 H GLU A 17 -8.147 0.834 0.417 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.728 1.432 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.139 0.248 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.538 0.732 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.658 2.573 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.776 2.417 -3.107 1.00 0.00 H new ATOM 265 N ALA A 18 -11.222 -1.086 -1.531 1.00 0.00 N ATOM 266 CA ALA A 18 -11.712 -2.460 -1.589 1.00 0.00 C ATOM 267 C ALA A 18 -10.588 -3.431 -1.979 1.00 0.00 C ATOM 268 O ALA A 18 -9.634 -3.058 -2.669 1.00 0.00 O ATOM 269 CB ALA A 18 -12.865 -2.553 -2.595 1.00 0.00 C ATOM 0 H ALA A 18 -11.636 -0.476 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.071 -2.742 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.229 -3.579 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.674 -1.893 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.512 -2.253 -3.582 1.00 0.00 H new ATOM 275 N GLU A 19 -10.734 -4.695 -1.582 1.00 0.00 N ATOM 276 CA GLU A 19 -9.874 -5.784 -2.034 1.00 0.00 C ATOM 277 C GLU A 19 -10.120 -6.029 -3.527 1.00 0.00 C ATOM 278 O GLU A 19 -11.277 -6.053 -3.962 1.00 0.00 O ATOM 279 CB GLU A 19 -10.198 -7.042 -1.211 1.00 0.00 C ATOM 280 CG GLU A 19 -9.199 -8.178 -1.462 1.00 0.00 C ATOM 281 CD GLU A 19 -9.430 -9.336 -0.479 1.00 0.00 C ATOM 282 OE1 GLU A 19 -8.998 -9.221 0.689 1.00 0.00 O ATOM 283 OE2 GLU A 19 -10.037 -10.360 -0.869 1.00 0.00 O ATOM 0 H GLU A 19 -11.461 -4.993 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.823 -5.531 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.198 -6.789 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.203 -7.385 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.301 -8.538 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.181 -7.803 -1.356 1.00 0.00 H new ATOM 290 N LYS A 20 -9.055 -6.255 -4.303 1.00 0.00 N ATOM 291 CA LYS A 20 -9.140 -6.634 -5.716 1.00 0.00 C ATOM 292 C LYS A 20 -8.016 -7.615 -6.034 1.00 0.00 C ATOM 293 O LYS A 20 -6.989 -7.626 -5.350 1.00 0.00 O ATOM 294 CB LYS A 20 -9.037 -5.394 -6.627 1.00 0.00 C ATOM 295 CG LYS A 20 -10.261 -4.467 -6.558 1.00 0.00 C ATOM 296 CD LYS A 20 -10.146 -3.323 -7.575 1.00 0.00 C ATOM 297 CE LYS A 20 -11.381 -2.417 -7.485 1.00 0.00 C ATOM 298 NZ LYS A 20 -11.336 -1.304 -8.468 1.00 0.00 N ATOM 0 H LYS A 20 -8.097 -6.179 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.106 -7.104 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.148 -4.826 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.900 -5.723 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.167 -5.041 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.354 -4.056 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.244 -2.743 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.055 -3.729 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.279 -3.012 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.455 -2.007 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.190 -0.719 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.494 -0.719 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.292 -1.693 -9.431 1.00 0.00 H new ATOM 312 N THR A 21 -8.212 -8.439 -7.058 1.00 0.00 N ATOM 313 CA THR A 21 -7.199 -9.327 -7.610 1.00 0.00 C ATOM 314 C THR A 21 -6.250 -8.533 -8.516 1.00 0.00 C ATOM 315 O THR A 21 -6.686 -7.635 -9.244 1.00 0.00 O ATOM 316 CB THR A 21 -7.894 -10.483 -8.356 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.046 -10.041 -9.062 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.353 -11.554 -7.361 1.00 0.00 C ATOM 0 H THR A 21 -9.108 -8.508 -7.540 1.00 0.00 H new ATOM 0 HA THR A 21 -6.594 -9.760 -6.813 1.00 0.00 H new ATOM 0 HB THR A 21 -7.165 -10.883 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.458 -10.801 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.842 -12.365 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.489 -11.945 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.054 -11.115 -6.651 1.00 0.00 H new ATOM 326 N PHE A 22 -4.963 -8.881 -8.487 1.00 0.00 N ATOM 327 CA PHE A 22 -3.907 -8.288 -9.295 1.00 0.00 C ATOM 328 C PHE A 22 -2.963 -9.388 -9.778 1.00 0.00 C ATOM 329 O PHE A 22 -2.967 -10.514 -9.267 1.00 0.00 O ATOM 330 CB PHE A 22 -3.145 -7.232 -8.479 1.00 0.00 C ATOM 331 CG PHE A 22 -3.991 -6.031 -8.105 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.189 -4.991 -9.033 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.621 -5.977 -6.849 1.00 0.00 C ATOM 334 CE1 PHE A 22 -5.024 -3.906 -8.709 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.444 -4.888 -6.519 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.659 -3.860 -7.455 1.00 0.00 C ATOM 0 H PHE A 22 -4.617 -9.617 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.344 -7.792 -10.162 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.762 -7.694 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.282 -6.894 -9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.699 -5.026 -9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.472 -6.775 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.177 -3.110 -9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.912 -4.840 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.312 -3.035 -7.210 1.00 0.00 H new ATOM 346 N SER A 23 -2.179 -9.049 -10.800 1.00 0.00 N ATOM 347 CA SER A 23 -1.158 -9.848 -11.467 1.00 0.00 C ATOM 348 C SER A 23 -0.217 -8.863 -12.180 1.00 0.00 C ATOM 349 O SER A 23 -0.494 -7.660 -12.198 1.00 0.00 O ATOM 350 CB SER A 23 -1.810 -10.800 -12.481 1.00 0.00 C ATOM 351 OG SER A 23 -2.742 -11.655 -11.848 1.00 0.00 O ATOM 0 H SER A 23 -2.251 -8.122 -11.219 1.00 0.00 H new ATOM 0 HA SER A 23 -0.607 -10.459 -10.752 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.311 -10.222 -13.258 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.041 -11.395 -12.973 1.00 0.00 H new ATOM 0 HG SER A 23 -3.145 -12.250 -12.514 1.00 0.00 H new ATOM 357 N TYR A 24 0.867 -9.352 -12.788 1.00 0.00 N ATOM 358 CA TYR A 24 1.840 -8.526 -13.504 1.00 0.00 C ATOM 359 C TYR A 24 2.144 -9.158 -14.873 1.00 0.00 C ATOM 360 O TYR A 24 1.971 -10.374 -15.014 1.00 0.00 O ATOM 361 CB TYR A 24 3.114 -8.389 -12.658 1.00 0.00 C ATOM 362 CG TYR A 24 2.896 -7.748 -11.300 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.461 -6.410 -11.210 1.00 0.00 C ATOM 364 CD2 TYR A 24 3.103 -8.500 -10.129 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.211 -5.833 -9.954 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.850 -7.932 -8.868 1.00 0.00 C ATOM 367 CZ TYR A 24 2.394 -6.594 -8.777 1.00 0.00 C ATOM 368 OH TYR A 24 2.129 -6.023 -7.569 1.00 0.00 O ATOM 0 H TYR A 24 1.096 -10.346 -12.796 1.00 0.00 H new ATOM 0 HA TYR A 24 1.432 -7.529 -13.673 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.549 -9.378 -12.514 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.843 -7.798 -13.213 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.320 -5.828 -12.108 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.458 -9.518 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.879 -4.808 -9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.003 -8.514 -7.971 1.00 0.00 H new ATOM 0 HH TYR A 24 1.423 -5.351 -7.673 1.00 0.00 H new ATOM 378 N PRO A 25 2.619 -8.389 -15.874 1.00 0.00 N ATOM 379 CA PRO A 25 2.793 -6.935 -15.854 1.00 0.00 C ATOM 380 C PRO A 25 1.447 -6.200 -15.774 1.00 0.00 C ATOM 381 O PRO A 25 0.402 -6.742 -16.145 1.00 0.00 O ATOM 382 CB PRO A 25 3.546 -6.599 -17.147 1.00 0.00 C ATOM 383 CG PRO A 25 3.127 -7.711 -18.106 1.00 0.00 C ATOM 384 CD PRO A 25 2.974 -8.918 -17.184 1.00 0.00 C ATOM 0 HA PRO A 25 3.346 -6.612 -14.972 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.270 -5.616 -17.528 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.625 -6.589 -16.992 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.194 -7.473 -18.618 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.878 -7.884 -18.877 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.202 -9.594 -17.553 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.901 -9.490 -17.134 1.00 0.00 H new ATOM 392 N LEU A 26 1.478 -4.964 -15.271 1.00 0.00 N ATOM 393 CA LEU A 26 0.327 -4.072 -15.147 1.00 0.00 C ATOM 394 C LEU A 26 0.855 -2.635 -15.130 1.00 0.00 C ATOM 395 O LEU A 26 2.055 -2.413 -14.942 1.00 0.00 O ATOM 396 CB LEU A 26 -0.463 -4.372 -13.850 1.00 0.00 C ATOM 397 CG LEU A 26 -1.980 -4.569 -14.060 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.661 -4.832 -12.713 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.681 -3.369 -14.715 1.00 0.00 C ATOM 0 H LEU A 26 2.340 -4.542 -14.926 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.355 -4.219 -15.985 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.053 -5.270 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.309 -3.553 -13.147 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.074 -5.417 -14.738 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.731 -4.970 -12.867 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.240 -5.731 -12.262 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.497 -3.982 -12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.743 -3.585 -14.828 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.555 -2.487 -14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.242 -3.182 -15.695 1.00 0.00 H new ATOM 411 N ASP A 27 -0.036 -1.656 -15.276 1.00 0.00 N ATOM 412 CA ASP A 27 0.263 -0.228 -15.167 1.00 0.00 C ATOM 413 C ASP A 27 0.364 0.178 -13.688 1.00 0.00 C ATOM 414 O ASP A 27 -0.446 0.952 -13.176 1.00 0.00 O ATOM 415 CB ASP A 27 -0.786 0.589 -15.934 1.00 0.00 C ATOM 416 CG ASP A 27 -0.443 2.086 -15.921 1.00 0.00 C ATOM 417 OD1 ASP A 27 0.636 2.461 -16.434 1.00 0.00 O ATOM 418 OD2 ASP A 27 -1.274 2.885 -15.433 1.00 0.00 O ATOM 0 H ASP A 27 -1.018 -1.840 -15.480 1.00 0.00 H new ATOM 0 HA ASP A 27 1.230 -0.017 -15.623 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.844 0.236 -16.963 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.768 0.435 -15.488 1.00 0.00 H new ATOM 423 N LEU A 28 1.323 -0.417 -12.976 1.00 0.00 N ATOM 424 CA LEU A 28 1.564 -0.246 -11.546 1.00 0.00 C ATOM 425 C LEU A 28 3.071 -0.165 -11.310 1.00 0.00 C ATOM 426 O LEU A 28 3.854 -0.742 -12.071 1.00 0.00 O ATOM 427 CB LEU A 28 1.024 -1.456 -10.751 1.00 0.00 C ATOM 428 CG LEU A 28 -0.507 -1.610 -10.678 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.850 -2.904 -9.929 1.00 0.00 C ATOM 430 CD2 LEU A 28 -1.173 -0.433 -9.959 1.00 0.00 C ATOM 0 H LEU A 28 1.985 -1.064 -13.405 1.00 0.00 H new ATOM 0 HA LEU A 28 1.059 0.661 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.436 -2.364 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.408 -1.393 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.884 -1.638 -11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.933 -3.017 -9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.422 -3.755 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.439 -2.860 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.252 -0.586 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.791 -0.365 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.951 0.492 -10.492 1.00 0.00 H new ATOM 442 N LEU A 29 3.473 0.492 -10.221 1.00 0.00 N ATOM 443 CA LEU A 29 4.838 0.501 -9.709 1.00 0.00 C ATOM 444 C LEU A 29 4.731 0.632 -8.196 1.00 0.00 C ATOM 445 O LEU A 29 4.064 1.549 -7.714 1.00 0.00 O ATOM 446 CB LEU A 29 5.635 1.680 -10.298 1.00 0.00 C ATOM 447 CG LEU A 29 7.098 1.752 -9.813 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.923 0.531 -10.240 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.753 3.021 -10.367 1.00 0.00 C ATOM 0 H LEU A 29 2.834 1.050 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 29 5.365 -0.411 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.627 1.604 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.131 2.611 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 29 7.078 1.768 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.944 0.635 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.477 -0.373 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.935 0.462 -11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.787 3.075 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.731 2.996 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.208 3.896 -10.013 1.00 0.00 H new ATOM 461 N LEU A 30 5.383 -0.259 -7.451 1.00 0.00 N ATOM 462 CA LEU A 30 5.391 -0.276 -5.989 1.00 0.00 C ATOM 463 C LEU A 30 6.853 -0.206 -5.532 1.00 0.00 C ATOM 464 O LEU A 30 7.743 -0.694 -6.234 1.00 0.00 O ATOM 465 CB LEU A 30 4.713 -1.556 -5.446 1.00 0.00 C ATOM 466 CG LEU A 30 3.176 -1.510 -5.283 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.404 -1.320 -6.596 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.685 -2.817 -4.646 1.00 0.00 C ATOM 0 H LEU A 30 5.937 -1.012 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 30 4.829 0.574 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.960 -2.382 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.152 -1.788 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 30 2.980 -0.640 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.334 -1.299 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.702 -0.380 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.627 -2.146 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.602 -2.782 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.956 -3.657 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.149 -2.941 -3.667 1.00 0.00 H new ATOM 480 N LYS A 31 7.106 0.389 -4.364 1.00 0.00 N ATOM 481 CA LYS A 31 8.447 0.609 -3.809 1.00 0.00 C ATOM 482 C LYS A 31 8.401 0.547 -2.289 1.00 0.00 C ATOM 483 O LYS A 31 7.322 0.653 -1.711 1.00 0.00 O ATOM 484 CB LYS A 31 9.023 1.951 -4.318 1.00 0.00 C ATOM 485 CG LYS A 31 8.165 3.218 -4.104 1.00 0.00 C ATOM 486 CD LYS A 31 8.177 3.821 -2.688 1.00 0.00 C ATOM 487 CE LYS A 31 7.345 5.115 -2.610 1.00 0.00 C ATOM 488 NZ LYS A 31 8.009 6.276 -3.261 1.00 0.00 N ATOM 0 H LYS A 31 6.364 0.742 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 31 9.115 -0.182 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.986 2.110 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.217 1.851 -5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.504 3.982 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.134 2.981 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.783 3.092 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.205 4.031 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.377 4.946 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.153 5.354 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.402 7.116 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.921 6.460 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.169 6.065 -4.267 1.00 0.00 H new ATOM 502 N LEU A 32 9.556 0.409 -1.638 1.00 0.00 N ATOM 503 CA LEU A 32 9.687 0.514 -0.186 1.00 0.00 C ATOM 504 C LEU A 32 9.889 1.988 0.171 1.00 0.00 C ATOM 505 O LEU A 32 10.724 2.655 -0.443 1.00 0.00 O ATOM 506 CB LEU A 32 10.899 -0.323 0.270 1.00 0.00 C ATOM 507 CG LEU A 32 11.181 -0.291 1.787 1.00 0.00 C ATOM 508 CD1 LEU A 32 9.999 -0.841 2.592 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.423 -1.132 2.099 1.00 0.00 C ATOM 0 H LEU A 32 10.439 0.218 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 32 8.794 0.138 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.741 -1.358 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.785 0.032 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 32 11.342 0.749 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.234 -0.803 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.112 -0.239 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.809 -1.874 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.619 -1.107 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.253 -2.162 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.281 -0.726 1.564 1.00 0.00 H new ATOM 521 N HIS A 33 9.172 2.485 1.178 1.00 0.00 N ATOM 522 CA HIS A 33 9.361 3.808 1.762 1.00 0.00 C ATOM 523 C HIS A 33 8.954 3.739 3.234 1.00 0.00 C ATOM 524 O HIS A 33 7.858 3.281 3.544 1.00 0.00 O ATOM 525 CB HIS A 33 8.494 4.829 1.011 1.00 0.00 C ATOM 526 CG HIS A 33 8.477 6.194 1.653 1.00 0.00 C ATOM 527 ND1 HIS A 33 9.442 7.170 1.536 1.00 0.00 N ATOM 528 CD2 HIS A 33 7.509 6.681 2.492 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.062 8.221 2.282 1.00 0.00 C ATOM 530 NE2 HIS A 33 7.884 7.972 2.887 1.00 0.00 N ATOM 0 H HIS A 33 8.420 1.959 1.623 1.00 0.00 H new ATOM 0 HA HIS A 33 10.402 4.120 1.682 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.860 4.922 -0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.473 4.452 0.951 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.613 6.160 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.623 9.138 2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.369 8.597 3.507 1.00 0.00 H new ATOM 538 N ASP A 34 9.822 4.220 4.130 1.00 0.00 N ATOM 539 CA ASP A 34 9.602 4.274 5.581 1.00 0.00 C ATOM 540 C ASP A 34 9.021 2.962 6.134 1.00 0.00 C ATOM 541 O ASP A 34 8.005 2.948 6.829 1.00 0.00 O ATOM 542 CB ASP A 34 8.788 5.525 5.956 1.00 0.00 C ATOM 543 CG ASP A 34 8.681 5.716 7.480 1.00 0.00 C ATOM 544 OD1 ASP A 34 9.713 5.637 8.185 1.00 0.00 O ATOM 545 OD2 ASP A 34 7.567 6.008 7.974 1.00 0.00 O ATOM 0 H ASP A 34 10.730 4.596 3.856 1.00 0.00 H new ATOM 0 HA ASP A 34 10.570 4.372 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.254 6.405 5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.788 5.446 5.531 1.00 0.00 H new ATOM 550 N GLU A 35 9.661 1.842 5.772 1.00 0.00 N ATOM 551 CA GLU A 35 9.298 0.478 6.178 1.00 0.00 C ATOM 552 C GLU A 35 7.902 0.024 5.703 1.00 0.00 C ATOM 553 O GLU A 35 7.376 -0.966 6.212 1.00 0.00 O ATOM 554 CB GLU A 35 9.532 0.272 7.695 1.00 0.00 C ATOM 555 CG GLU A 35 11.013 0.344 8.106 1.00 0.00 C ATOM 556 CD GLU A 35 11.876 -0.761 7.468 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.386 -1.884 7.228 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.072 -0.530 7.182 1.00 0.00 O ATOM 0 H GLU A 35 10.479 1.863 5.163 1.00 0.00 H new ATOM 0 HA GLU A 35 9.975 -0.193 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.974 1.029 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.129 -0.698 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.414 1.317 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.086 0.271 9.191 1.00 0.00 H new ATOM 565 N ARG A 36 7.302 0.679 4.699 1.00 0.00 N ATOM 566 CA ARG A 36 6.019 0.279 4.114 1.00 0.00 C ATOM 567 C ARG A 36 6.171 0.168 2.604 1.00 0.00 C ATOM 568 O ARG A 36 6.899 0.959 2.003 1.00 0.00 O ATOM 569 CB ARG A 36 4.919 1.293 4.476 1.00 0.00 C ATOM 570 CG ARG A 36 4.704 1.433 5.991 1.00 0.00 C ATOM 571 CD ARG A 36 3.611 2.459 6.317 1.00 0.00 C ATOM 572 NE ARG A 36 3.729 2.928 7.713 1.00 0.00 N ATOM 573 CZ ARG A 36 4.582 3.871 8.144 1.00 0.00 C ATOM 574 NH1 ARG A 36 5.343 4.536 7.283 1.00 0.00 N ATOM 575 NH2 ARG A 36 4.678 4.146 9.441 1.00 0.00 N ATOM 0 H ARG A 36 7.701 1.512 4.266 1.00 0.00 H new ATOM 0 HA ARG A 36 5.725 -0.690 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.179 2.266 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.983 0.987 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.431 0.465 6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.638 1.734 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.688 3.307 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.629 2.013 6.161 1.00 0.00 H new ATOM 0 HE ARG A 36 3.113 2.501 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.282 4.332 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.988 5.251 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.102 3.640 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.328 4.863 9.764 1.00 0.00 H new ATOM 589 N VAL A 37 5.505 -0.798 1.974 1.00 0.00 N ATOM 590 CA VAL A 37 5.432 -0.826 0.518 1.00 0.00 C ATOM 591 C VAL A 37 4.331 0.148 0.104 1.00 0.00 C ATOM 592 O VAL A 37 3.205 0.060 0.604 1.00 0.00 O ATOM 593 CB VAL A 37 5.234 -2.259 -0.010 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.060 -2.285 -1.534 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.475 -3.093 0.340 1.00 0.00 C ATOM 0 H VAL A 37 5.015 -1.560 2.442 1.00 0.00 H new ATOM 0 HA VAL A 37 6.371 -0.505 0.066 1.00 0.00 H new ATOM 0 HB VAL A 37 4.334 -2.664 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.923 -3.314 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.186 -1.695 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.947 -1.865 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.346 -4.110 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.355 -2.648 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.606 -3.114 1.422 1.00 0.00 H new ATOM 605 N LEU A 38 4.658 1.068 -0.805 1.00 0.00 N ATOM 606 CA LEU A 38 3.788 2.131 -1.287 1.00 0.00 C ATOM 607 C LEU A 38 3.679 2.020 -2.805 1.00 0.00 C ATOM 608 O LEU A 38 4.654 1.687 -3.480 1.00 0.00 O ATOM 609 CB LEU A 38 4.355 3.519 -0.919 1.00 0.00 C ATOM 610 CG LEU A 38 3.776 4.146 0.362 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.137 3.365 1.629 1.00 0.00 C ATOM 612 CD2 LEU A 38 4.304 5.580 0.495 1.00 0.00 C ATOM 0 H LEU A 38 5.579 1.089 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 38 2.808 2.026 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.436 3.434 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.174 4.200 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 38 2.690 4.126 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.699 3.858 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.748 2.350 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.221 3.331 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.900 6.034 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.392 5.563 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.995 6.163 -0.373 1.00 0.00 H new ATOM 624 N VAL A 39 2.505 2.349 -3.338 1.00 0.00 N ATOM 625 CA VAL A 39 2.222 2.478 -4.757 1.00 0.00 C ATOM 626 C VAL A 39 2.853 3.796 -5.218 1.00 0.00 C ATOM 627 O VAL A 39 2.358 4.870 -4.870 1.00 0.00 O ATOM 628 CB VAL A 39 0.689 2.439 -4.957 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.290 2.617 -6.426 1.00 0.00 C ATOM 630 CG2 VAL A 39 0.079 1.118 -4.453 1.00 0.00 C ATOM 0 H VAL A 39 1.687 2.542 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 39 2.641 1.666 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 39 0.299 3.273 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.796 2.582 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.653 3.579 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.729 1.816 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.999 1.131 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.516 0.283 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.288 1.003 -3.389 1.00 0.00 H new ATOM 640 N ALA A 40 3.948 3.723 -5.977 1.00 0.00 N ATOM 641 CA ALA A 40 4.571 4.877 -6.615 1.00 0.00 C ATOM 642 C ALA A 40 3.828 5.295 -7.883 1.00 0.00 C ATOM 643 O ALA A 40 3.837 6.476 -8.227 1.00 0.00 O ATOM 644 CB ALA A 40 6.018 4.541 -6.983 1.00 0.00 C ATOM 0 H ALA A 40 4.432 2.845 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 40 4.535 5.704 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.482 5.404 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.572 4.283 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.032 3.696 -7.671 1.00 0.00 H new ATOM 650 N PHE A 41 3.190 4.348 -8.576 1.00 0.00 N ATOM 651 CA PHE A 41 2.372 4.622 -9.748 1.00 0.00 C ATOM 652 C PHE A 41 1.240 3.605 -9.797 1.00 0.00 C ATOM 653 O PHE A 41 1.439 2.442 -9.441 1.00 0.00 O ATOM 654 CB PHE A 41 3.216 4.574 -11.030 1.00 0.00 C ATOM 655 CG PHE A 41 2.562 5.308 -12.184 1.00 0.00 C ATOM 656 CD1 PHE A 41 2.707 6.705 -12.290 1.00 0.00 C ATOM 657 CD2 PHE A 41 1.781 4.612 -13.128 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.083 7.403 -13.339 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.157 5.314 -14.176 1.00 0.00 C ATOM 660 CZ PHE A 41 1.310 6.707 -14.284 1.00 0.00 C ATOM 0 H PHE A 41 3.231 3.359 -8.331 1.00 0.00 H new ATOM 0 HA PHE A 41 1.955 5.627 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.195 5.012 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.383 3.535 -11.313 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.299 7.242 -11.563 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.661 3.542 -13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.198 8.474 -13.419 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.559 4.781 -14.900 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.834 7.242 -15.092 1.00 0.00 H new ATOM 670 N GLY A 42 0.060 4.048 -10.228 1.00 0.00 N ATOM 671 CA GLY A 42 -1.147 3.230 -10.229 1.00 0.00 C ATOM 672 C GLY A 42 -2.443 4.038 -10.176 1.00 0.00 C ATOM 673 O GLY A 42 -3.519 3.447 -10.086 1.00 0.00 O ATOM 0 H GLY A 42 -0.084 4.991 -10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.153 2.610 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.117 2.554 -9.374 1.00 0.00 H new ATOM 677 N GLN A 43 -2.369 5.374 -10.225 1.00 0.00 N ATOM 678 CA GLN A 43 -3.508 6.287 -10.146 1.00 0.00 C ATOM 679 C GLN A 43 -3.349 7.386 -11.205 1.00 0.00 C ATOM 680 O GLN A 43 -3.515 8.566 -10.913 1.00 0.00 O ATOM 681 CB GLN A 43 -3.646 6.843 -8.709 1.00 0.00 C ATOM 682 CG GLN A 43 -4.145 5.811 -7.687 1.00 0.00 C ATOM 683 CD GLN A 43 -5.599 5.409 -7.945 1.00 0.00 C ATOM 684 OE1 GLN A 43 -6.530 6.137 -7.605 1.00 0.00 O ATOM 685 NE2 GLN A 43 -5.830 4.274 -8.582 1.00 0.00 N ATOM 0 H GLN A 43 -1.480 5.863 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.437 5.759 -10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.678 7.224 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.333 7.689 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.511 4.925 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.055 6.223 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.051 3.677 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -6.787 3.995 -8.796 1.00 0.00 H new ATOM 694 N ARG A 44 -3.009 7.003 -12.447 1.00 0.00 N ATOM 695 CA ARG A 44 -2.755 7.932 -13.562 1.00 0.00 C ATOM 696 C ARG A 44 -3.911 8.899 -13.860 1.00 0.00 C ATOM 697 O ARG A 44 -3.701 9.928 -14.499 1.00 0.00 O ATOM 698 CB ARG A 44 -2.311 7.158 -14.823 1.00 0.00 C ATOM 699 CG ARG A 44 -3.411 6.516 -15.699 1.00 0.00 C ATOM 700 CD ARG A 44 -4.293 5.461 -15.016 1.00 0.00 C ATOM 701 NE ARG A 44 -3.510 4.309 -14.536 1.00 0.00 N ATOM 702 CZ ARG A 44 -3.788 3.517 -13.498 1.00 0.00 C ATOM 703 NH1 ARG A 44 -4.868 3.715 -12.746 1.00 0.00 N ATOM 704 NH2 ARG A 44 -2.944 2.539 -13.211 1.00 0.00 N ATOM 0 H ARG A 44 -2.901 6.023 -12.709 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.938 8.576 -13.237 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.739 7.841 -15.451 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.630 6.368 -14.508 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.056 7.310 -16.075 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.934 6.056 -16.564 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.818 5.917 -14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.053 5.115 -15.717 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.659 4.092 -15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.503 4.485 -12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.061 3.097 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.106 2.406 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.131 1.919 -12.423 1.00 0.00 H new ATOM 718 N ASP A 45 -5.123 8.574 -13.399 1.00 0.00 N ATOM 719 CA ASP A 45 -6.310 9.428 -13.449 1.00 0.00 C ATOM 720 C ASP A 45 -6.128 10.741 -12.664 1.00 0.00 C ATOM 721 O ASP A 45 -6.836 11.716 -12.924 1.00 0.00 O ATOM 722 CB ASP A 45 -7.490 8.617 -12.892 1.00 0.00 C ATOM 723 CG ASP A 45 -8.737 9.466 -12.609 1.00 0.00 C ATOM 724 OD1 ASP A 45 -9.448 9.860 -13.561 1.00 0.00 O ATOM 725 OD2 ASP A 45 -9.027 9.679 -11.409 1.00 0.00 O ATOM 0 H ASP A 45 -5.310 7.671 -12.963 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.494 9.723 -14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.748 7.832 -13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.179 8.124 -11.971 1.00 0.00 H new ATOM 730 N GLY A 46 -5.169 10.799 -11.737 1.00 0.00 N ATOM 731 CA GLY A 46 -4.892 11.951 -10.894 1.00 0.00 C ATOM 732 C GLY A 46 -3.474 11.855 -10.337 1.00 0.00 C ATOM 733 O GLY A 46 -2.544 11.483 -11.058 1.00 0.00 O ATOM 0 H GLY A 46 -4.545 10.014 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.005 12.870 -11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.611 11.996 -10.076 1.00 0.00 H new ATOM 737 N ILE A 47 -3.313 12.190 -9.054 1.00 0.00 N ATOM 738 CA ILE A 47 -2.031 12.186 -8.339 1.00 0.00 C ATOM 739 C ILE A 47 -2.138 11.392 -7.022 1.00 0.00 C ATOM 740 O ILE A 47 -1.336 11.580 -6.107 1.00 0.00 O ATOM 741 CB ILE A 47 -1.514 13.637 -8.149 1.00 0.00 C ATOM 742 CG1 ILE A 47 -2.480 14.505 -7.308 1.00 0.00 C ATOM 743 CG2 ILE A 47 -1.223 14.285 -9.518 1.00 0.00 C ATOM 744 CD1 ILE A 47 -1.907 15.878 -6.933 1.00 0.00 C ATOM 0 H ILE A 47 -4.094 12.480 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.283 11.668 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.583 13.581 -7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.406 14.647 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.737 13.967 -6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.861 15.302 -9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.465 13.703 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.137 14.308 -10.111 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.640 16.430 -6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.997 15.745 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.676 16.436 -7.840 1.00 0.00 H new ATOM 756 N ARG A 48 -3.134 10.504 -6.903 1.00 0.00 N ATOM 757 CA ARG A 48 -3.488 9.799 -5.660 1.00 0.00 C ATOM 758 C ARG A 48 -2.510 8.670 -5.304 1.00 0.00 C ATOM 759 O ARG A 48 -2.877 7.754 -4.568 1.00 0.00 O ATOM 760 CB ARG A 48 -4.934 9.269 -5.753 1.00 0.00 C ATOM 761 CG ARG A 48 -5.987 10.363 -5.997 1.00 0.00 C ATOM 762 CD ARG A 48 -7.405 9.776 -6.033 1.00 0.00 C ATOM 763 NE ARG A 48 -7.568 8.801 -7.127 1.00 0.00 N ATOM 764 CZ ARG A 48 -8.015 9.044 -8.364 1.00 0.00 C ATOM 765 NH1 ARG A 48 -8.398 10.251 -8.760 1.00 0.00 N ATOM 766 NH2 ARG A 48 -8.074 8.052 -9.237 1.00 0.00 N ATOM 0 H ARG A 48 -3.733 10.248 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.416 10.523 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.991 8.538 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.178 8.744 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.922 11.115 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.777 10.869 -6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.622 9.293 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.129 10.582 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.312 7.836 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.358 11.037 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.733 10.393 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.780 7.114 -8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.413 8.225 -10.183 1.00 0.00 H new ATOM 780 N VAL A 49 -1.289 8.671 -5.832 1.00 0.00 N ATOM 781 CA VAL A 49 -0.252 7.708 -5.464 1.00 0.00 C ATOM 782 C VAL A 49 0.097 7.837 -3.970 1.00 0.00 C ATOM 783 O VAL A 49 -0.401 8.718 -3.258 1.00 0.00 O ATOM 784 CB VAL A 49 0.954 7.852 -6.422 1.00 0.00 C ATOM 785 CG1 VAL A 49 0.527 7.508 -7.861 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.597 9.246 -6.403 1.00 0.00 C ATOM 0 H VAL A 49 -0.987 9.346 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.615 6.687 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 49 1.709 7.152 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.382 7.612 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.161 6.482 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.265 8.186 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.435 9.270 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.859 9.991 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.954 9.468 -5.398 1.00 0.00 H new ATOM 796 N GLY A 50 0.921 6.918 -3.467 1.00 0.00 N ATOM 797 CA GLY A 50 1.295 6.880 -2.058 1.00 0.00 C ATOM 798 C GLY A 50 0.395 5.957 -1.235 1.00 0.00 C ATOM 799 O GLY A 50 0.548 5.916 -0.015 1.00 0.00 O ATOM 0 H GLY A 50 1.347 6.180 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.329 6.547 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.249 7.888 -1.646 1.00 0.00 H new ATOM 803 N HIS A 51 -0.550 5.242 -1.864 1.00 0.00 N ATOM 804 CA HIS A 51 -1.300 4.187 -1.190 1.00 0.00 C ATOM 805 C HIS A 51 -0.299 3.185 -0.617 1.00 0.00 C ATOM 806 O HIS A 51 0.571 2.714 -1.347 1.00 0.00 O ATOM 807 CB HIS A 51 -2.260 3.472 -2.155 1.00 0.00 C ATOM 808 CG HIS A 51 -3.448 4.303 -2.564 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.681 4.880 -3.791 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.506 4.627 -1.762 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.844 5.550 -3.719 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.373 5.452 -2.486 1.00 0.00 N ATOM 0 H HIS A 51 -0.809 5.381 -2.841 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.904 4.628 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.709 3.179 -3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.615 2.555 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.649 4.301 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.292 6.092 -4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.230 5.889 -2.148 1.00 0.00 H new ATOM 820 N ALA A 52 -0.414 2.859 0.666 1.00 0.00 N ATOM 821 CA ALA A 52 0.345 1.797 1.295 1.00 0.00 C ATOM 822 C ALA A 52 -0.393 0.483 1.058 1.00 0.00 C ATOM 823 O ALA A 52 -1.626 0.442 1.125 1.00 0.00 O ATOM 824 CB ALA A 52 0.443 2.081 2.796 1.00 0.00 C ATOM 0 H ALA A 52 -1.050 3.337 1.305 1.00 0.00 H new ATOM 0 HA ALA A 52 1.350 1.736 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.013 1.288 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.945 3.036 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.558 2.122 3.225 1.00 0.00 H new ATOM 830 N VAL A 53 0.346 -0.595 0.801 1.00 0.00 N ATOM 831 CA VAL A 53 -0.231 -1.932 0.782 1.00 0.00 C ATOM 832 C VAL A 53 -0.599 -2.268 2.233 1.00 0.00 C ATOM 833 O VAL A 53 0.146 -1.928 3.156 1.00 0.00 O ATOM 834 CB VAL A 53 0.746 -2.946 0.150 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.101 -4.335 0.043 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.172 -2.508 -1.262 1.00 0.00 C ATOM 0 H VAL A 53 1.346 -0.565 0.603 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.125 -1.980 0.160 1.00 0.00 H new ATOM 0 HB VAL A 53 1.620 -2.988 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.809 -5.032 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.173 -4.686 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.792 -4.275 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.860 -3.244 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.292 -2.432 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.667 -1.538 -1.208 1.00 0.00 H new ATOM 846 N LEU A 54 -1.745 -2.924 2.437 1.00 0.00 N ATOM 847 CA LEU A 54 -2.294 -3.210 3.761 1.00 0.00 C ATOM 848 C LEU A 54 -2.494 -4.712 3.947 1.00 0.00 C ATOM 849 O LEU A 54 -2.275 -5.195 5.055 1.00 0.00 O ATOM 850 CB LEU A 54 -3.617 -2.453 3.992 1.00 0.00 C ATOM 851 CG LEU A 54 -3.535 -0.914 3.897 1.00 0.00 C ATOM 852 CD1 LEU A 54 -4.933 -0.325 4.103 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.583 -0.272 4.911 1.00 0.00 C ATOM 0 H LEU A 54 -2.324 -3.275 1.674 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.576 -2.862 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.347 -2.805 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.998 -2.718 4.978 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.137 -0.691 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.883 0.762 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.605 -0.705 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.308 -0.612 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.584 0.810 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.912 -0.513 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.574 -0.656 4.757 1.00 0.00 H new ATOM 865 N ALA A 55 -2.811 -5.476 2.894 1.00 0.00 N ATOM 866 CA ALA A 55 -2.826 -6.936 2.942 1.00 0.00 C ATOM 867 C ALA A 55 -2.567 -7.523 1.558 1.00 0.00 C ATOM 868 O ALA A 55 -2.805 -6.853 0.553 1.00 0.00 O ATOM 869 CB ALA A 55 -4.184 -7.436 3.450 1.00 0.00 C ATOM 0 H ALA A 55 -3.065 -5.093 1.983 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.038 -7.258 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.182 -8.526 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.364 -7.045 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.972 -7.094 2.779 1.00 0.00 H new ATOM 875 N ILE A 56 -2.151 -8.789 1.507 1.00 0.00 N ATOM 876 CA ILE A 56 -1.973 -9.574 0.285 1.00 0.00 C ATOM 877 C ILE A 56 -2.473 -10.985 0.606 1.00 0.00 C ATOM 878 O ILE A 56 -2.216 -11.489 1.696 1.00 0.00 O ATOM 879 CB ILE A 56 -0.492 -9.592 -0.168 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.045 -8.167 -0.426 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.343 -10.446 -1.446 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.556 -8.105 -0.648 1.00 0.00 C ATOM 0 H ILE A 56 -1.920 -9.316 2.349 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.532 -9.137 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 56 0.096 -10.030 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.458 -7.753 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.214 -7.533 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.701 -10.454 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.668 -11.466 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.956 -10.022 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.856 -7.072 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.069 -8.488 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.822 -8.711 -1.514 1.00 0.00 H new ATOM 894 N ASN A 57 -3.188 -11.616 -0.333 1.00 0.00 N ATOM 895 CA ASN A 57 -3.839 -12.931 -0.219 1.00 0.00 C ATOM 896 C ASN A 57 -4.661 -13.130 1.072 1.00 0.00 C ATOM 897 O ASN A 57 -4.967 -14.261 1.453 1.00 0.00 O ATOM 898 CB ASN A 57 -2.852 -14.080 -0.526 1.00 0.00 C ATOM 899 CG ASN A 57 -1.786 -14.318 0.545 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.071 -14.557 1.713 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.518 -14.292 0.165 1.00 0.00 N ATOM 0 H ASN A 57 -3.338 -11.198 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.601 -12.960 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.420 -15.000 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.354 -13.869 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.222 -14.471 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.281 -14.093 -0.807 1.00 0.00 H new ATOM 908 N GLY A 58 -5.073 -12.030 1.711 1.00 0.00 N ATOM 909 CA GLY A 58 -5.813 -12.008 2.967 1.00 0.00 C ATOM 910 C GLY A 58 -4.939 -11.647 4.170 1.00 0.00 C ATOM 911 O GLY A 58 -5.458 -11.062 5.123 1.00 0.00 O ATOM 0 H GLY A 58 -4.890 -11.094 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.629 -11.289 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.265 -12.986 3.133 1.00 0.00 H new ATOM 915 N MET A 59 -3.634 -11.939 4.127 1.00 0.00 N ATOM 916 CA MET A 59 -2.707 -11.646 5.214 1.00 0.00 C ATOM 917 C MET A 59 -2.403 -10.151 5.241 1.00 0.00 C ATOM 918 O MET A 59 -1.842 -9.616 4.283 1.00 0.00 O ATOM 919 CB MET A 59 -1.386 -12.416 5.038 1.00 0.00 C ATOM 920 CG MET A 59 -1.524 -13.920 5.291 1.00 0.00 C ATOM 921 SD MET A 59 0.060 -14.792 5.489 1.00 0.00 S ATOM 922 CE MET A 59 0.739 -14.687 3.812 1.00 0.00 C ATOM 0 H MET A 59 -3.192 -12.390 3.326 1.00 0.00 H new ATOM 0 HA MET A 59 -3.175 -11.955 6.149 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.013 -12.257 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.641 -12.007 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.124 -14.072 6.188 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.071 -14.368 4.461 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.710 -15.180 3.781 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.061 -15.177 3.114 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.855 -13.640 3.531 1.00 0.00 H new ATOM 932 N ASP A 60 -2.757 -9.482 6.339 1.00 0.00 N ATOM 933 CA ASP A 60 -2.343 -8.107 6.615 1.00 0.00 C ATOM 934 C ASP A 60 -0.809 -8.039 6.591 1.00 0.00 C ATOM 935 O ASP A 60 -0.150 -8.931 7.134 1.00 0.00 O ATOM 936 CB ASP A 60 -2.903 -7.667 7.974 1.00 0.00 C ATOM 937 CG ASP A 60 -2.391 -6.280 8.386 1.00 0.00 C ATOM 938 OD1 ASP A 60 -1.334 -6.197 9.048 1.00 0.00 O ATOM 939 OD2 ASP A 60 -3.048 -5.263 8.066 1.00 0.00 O ATOM 0 H ASP A 60 -3.345 -9.884 7.069 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.734 -7.429 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.992 -7.653 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.624 -8.397 8.734 1.00 0.00 H new ATOM 944 N VAL A 61 -0.232 -7.021 5.946 1.00 0.00 N ATOM 945 CA VAL A 61 1.217 -6.891 5.824 1.00 0.00 C ATOM 946 C VAL A 61 1.737 -5.929 6.893 1.00 0.00 C ATOM 947 O VAL A 61 1.275 -4.791 7.019 1.00 0.00 O ATOM 948 CB VAL A 61 1.670 -6.531 4.388 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.236 -7.615 3.389 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.189 -5.174 3.855 1.00 0.00 C ATOM 0 H VAL A 61 -0.755 -6.269 5.497 1.00 0.00 H new ATOM 0 HA VAL A 61 1.671 -7.865 6.007 1.00 0.00 H new ATOM 0 HB VAL A 61 2.755 -6.465 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.566 -7.340 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.684 -8.568 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.150 -7.707 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.565 -5.027 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.099 -5.153 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.561 -4.377 4.499 1.00 0.00 H new ATOM 960 N ASN A 62 2.722 -6.397 7.657 1.00 0.00 N ATOM 961 CA ASN A 62 3.519 -5.620 8.590 1.00 0.00 C ATOM 962 C ASN A 62 4.472 -4.740 7.775 1.00 0.00 C ATOM 963 O ASN A 62 5.652 -5.064 7.615 1.00 0.00 O ATOM 964 CB ASN A 62 4.273 -6.563 9.543 1.00 0.00 C ATOM 965 CG ASN A 62 5.192 -5.811 10.505 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.979 -4.643 10.824 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.226 -6.469 11.001 1.00 0.00 N ATOM 0 H ASN A 62 2.996 -7.379 7.637 1.00 0.00 H new ATOM 0 HA ASN A 62 2.890 -4.980 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.553 -7.147 10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.863 -7.269 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.857 -6.008 11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.392 -7.438 10.729 1.00 0.00 H new ATOM 974 N GLY A 63 3.921 -3.680 7.179 1.00 0.00 N ATOM 975 CA GLY A 63 4.614 -2.646 6.420 1.00 0.00 C ATOM 976 C GLY A 63 5.193 -3.156 5.102 1.00 0.00 C ATOM 977 O GLY A 63 4.677 -2.831 4.031 1.00 0.00 O ATOM 0 H GLY A 63 2.915 -3.514 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.922 -1.830 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.419 -2.235 7.029 1.00 0.00 H new ATOM 981 N ARG A 64 6.243 -3.974 5.173 1.00 0.00 N ATOM 982 CA ARG A 64 6.894 -4.599 4.027 1.00 0.00 C ATOM 983 C ARG A 64 7.167 -6.082 4.257 1.00 0.00 C ATOM 984 O ARG A 64 7.880 -6.676 3.453 1.00 0.00 O ATOM 985 CB ARG A 64 8.163 -3.825 3.619 1.00 0.00 C ATOM 986 CG ARG A 64 9.261 -3.746 4.696 1.00 0.00 C ATOM 987 CD ARG A 64 10.664 -4.033 4.132 1.00 0.00 C ATOM 988 NE ARG A 64 11.705 -3.453 4.989 1.00 0.00 N ATOM 989 CZ ARG A 64 13.026 -3.479 4.787 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.570 -4.202 3.813 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.801 -2.739 5.572 1.00 0.00 N ATOM 0 H ARG A 64 6.677 -4.227 6.061 1.00 0.00 H new ATOM 0 HA ARG A 64 6.200 -4.547 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.583 -4.293 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.876 -2.811 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.251 -2.754 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.039 -4.460 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.814 -5.110 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.746 -3.622 3.126 1.00 0.00 H new ATOM 0 HE ARG A 64 11.385 -2.977 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.976 -4.756 3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.582 -4.203 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.385 -2.169 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.812 -2.741 5.439 1.00 0.00 H new ATOM 1005 N TYR A 65 6.589 -6.701 5.288 1.00 0.00 N ATOM 1006 CA TYR A 65 6.654 -8.148 5.476 1.00 0.00 C ATOM 1007 C TYR A 65 5.233 -8.676 5.620 1.00 0.00 C ATOM 1008 O TYR A 65 4.379 -7.974 6.159 1.00 0.00 O ATOM 1009 CB TYR A 65 7.525 -8.481 6.693 1.00 0.00 C ATOM 1010 CG TYR A 65 8.964 -8.025 6.533 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.886 -8.839 5.849 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.366 -6.761 7.011 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.203 -8.397 5.639 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.680 -6.307 6.795 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.607 -7.127 6.112 1.00 0.00 C ATOM 1016 OH TYR A 65 12.881 -6.683 5.918 1.00 0.00 O ATOM 0 H TYR A 65 6.064 -6.213 6.014 1.00 0.00 H new ATOM 0 HA TYR A 65 7.118 -8.631 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.097 -8.012 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.507 -9.558 6.862 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.580 -9.808 5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.663 -6.139 7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.907 -9.027 5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.980 -5.333 7.151 1.00 0.00 H new ATOM 0 HH TYR A 65 12.979 -5.790 6.309 1.00 0.00 H new ATOM 1026 N THR A 66 4.941 -9.884 5.139 1.00 0.00 N ATOM 1027 CA THR A 66 3.643 -10.496 5.388 1.00 0.00 C ATOM 1028 C THR A 66 3.522 -10.880 6.865 1.00 0.00 C ATOM 1029 O THR A 66 4.496 -10.854 7.625 1.00 0.00 O ATOM 1030 CB THR A 66 3.412 -11.712 4.477 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.415 -12.690 4.656 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.384 -11.319 3.002 1.00 0.00 C ATOM 0 H THR A 66 5.580 -10.450 4.581 1.00 0.00 H new ATOM 0 HA THR A 66 2.867 -9.767 5.152 1.00 0.00 H new ATOM 0 HB THR A 66 2.443 -12.122 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.239 -13.451 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.219 -12.207 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.578 -10.606 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.336 -10.863 2.729 1.00 0.00 H new ATOM 1040 N ALA A 67 2.316 -11.292 7.252 1.00 0.00 N ATOM 1041 CA ALA A 67 2.066 -11.903 8.548 1.00 0.00 C ATOM 1042 C ALA A 67 2.935 -13.157 8.730 1.00 0.00 C ATOM 1043 O ALA A 67 3.440 -13.413 9.823 1.00 0.00 O ATOM 1044 CB ALA A 67 0.585 -12.270 8.619 1.00 0.00 C ATOM 0 H ALA A 67 1.483 -11.209 6.669 1.00 0.00 H new ATOM 0 HA ALA A 67 2.321 -11.205 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.370 -12.731 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.019 -11.370 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.345 -12.971 7.820 1.00 0.00 H new ATOM 1050 N ASP A 68 3.115 -13.926 7.650 1.00 0.00 N ATOM 1051 CA ASP A 68 3.980 -15.105 7.620 1.00 0.00 C ATOM 1052 C ASP A 68 5.461 -14.719 7.726 1.00 0.00 C ATOM 1053 O ASP A 68 6.211 -15.378 8.448 1.00 0.00 O ATOM 1054 CB ASP A 68 3.742 -15.901 6.332 1.00 0.00 C ATOM 1055 CG ASP A 68 4.728 -17.072 6.225 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.504 -18.120 6.872 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.721 -16.949 5.475 1.00 0.00 O ATOM 0 H ASP A 68 2.655 -13.741 6.759 1.00 0.00 H new ATOM 0 HA ASP A 68 3.729 -15.723 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.719 -16.278 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.854 -15.246 5.468 1.00 0.00 H new ATOM 1062 N GLY A 69 5.870 -13.637 7.053 1.00 0.00 N ATOM 1063 CA GLY A 69 7.200 -13.042 7.173 1.00 0.00 C ATOM 1064 C GLY A 69 7.926 -12.841 5.838 1.00 0.00 C ATOM 1065 O GLY A 69 9.063 -12.365 5.845 1.00 0.00 O ATOM 0 H GLY A 69 5.269 -13.141 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.110 -12.077 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.812 -13.677 7.814 1.00 0.00 H new ATOM 1069 N LYS A 70 7.320 -13.202 4.700 1.00 0.00 N ATOM 1070 CA LYS A 70 7.879 -12.949 3.369 1.00 0.00 C ATOM 1071 C LYS A 70 8.056 -11.443 3.202 1.00 0.00 C ATOM 1072 O LYS A 70 7.143 -10.698 3.553 1.00 0.00 O ATOM 1073 CB LYS A 70 6.915 -13.465 2.284 1.00 0.00 C ATOM 1074 CG LYS A 70 6.554 -14.955 2.387 1.00 0.00 C ATOM 1075 CD LYS A 70 7.717 -15.866 1.973 1.00 0.00 C ATOM 1076 CE LYS A 70 7.359 -17.343 2.175 1.00 0.00 C ATOM 1077 NZ LYS A 70 7.518 -17.796 3.579 1.00 0.00 N ATOM 0 H LYS A 70 6.420 -13.682 4.679 1.00 0.00 H new ATOM 0 HA LYS A 70 8.835 -13.463 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.996 -12.881 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.362 -13.282 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.262 -15.186 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.691 -15.162 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.967 -15.689 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.603 -15.620 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.328 -17.506 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.989 -17.955 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.261 -18.801 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.507 -17.669 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.897 -17.235 4.197 1.00 0.00 H new ATOM 1091 N GLU A 71 9.182 -10.976 2.659 1.00 0.00 N ATOM 1092 CA GLU A 71 9.295 -9.573 2.283 1.00 0.00 C ATOM 1093 C GLU A 71 8.341 -9.349 1.110 1.00 0.00 C ATOM 1094 O GLU A 71 8.370 -10.096 0.133 1.00 0.00 O ATOM 1095 CB GLU A 71 10.742 -9.196 1.933 1.00 0.00 C ATOM 1096 CG GLU A 71 10.832 -7.695 1.605 1.00 0.00 C ATOM 1097 CD GLU A 71 12.273 -7.167 1.521 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.122 -7.771 0.827 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.546 -6.107 2.127 1.00 0.00 O ATOM 0 H GLU A 71 10.012 -11.539 2.474 1.00 0.00 H new ATOM 0 HA GLU A 71 9.023 -8.927 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.400 -9.434 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.083 -9.784 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.330 -7.509 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.292 -7.133 2.367 1.00 0.00 H new ATOM 1106 N VAL A 72 7.491 -8.333 1.211 1.00 0.00 N ATOM 1107 CA VAL A 72 6.404 -8.076 0.275 1.00 0.00 C ATOM 1108 C VAL A 72 6.937 -7.846 -1.141 1.00 0.00 C ATOM 1109 O VAL A 72 6.354 -8.372 -2.086 1.00 0.00 O ATOM 1110 CB VAL A 72 5.558 -6.900 0.810 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.603 -6.324 -0.242 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.738 -7.354 2.027 1.00 0.00 C ATOM 0 H VAL A 72 7.541 -7.648 1.965 1.00 0.00 H new ATOM 0 HA VAL A 72 5.756 -8.949 0.200 1.00 0.00 H new ATOM 0 HB VAL A 72 6.260 -6.114 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.036 -5.501 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.177 -5.959 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.916 -7.102 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.144 -6.518 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.075 -8.169 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.412 -7.697 2.812 1.00 0.00 H new ATOM 1122 N LEU A 73 8.035 -7.100 -1.315 1.00 0.00 N ATOM 1123 CA LEU A 73 8.561 -6.838 -2.656 1.00 0.00 C ATOM 1124 C LEU A 73 9.078 -8.132 -3.285 1.00 0.00 C ATOM 1125 O LEU A 73 8.807 -8.394 -4.456 1.00 0.00 O ATOM 1126 CB LEU A 73 9.670 -5.772 -2.633 1.00 0.00 C ATOM 1127 CG LEU A 73 9.202 -4.350 -2.261 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.401 -3.398 -2.287 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.119 -3.805 -3.203 1.00 0.00 C ATOM 0 H LEU A 73 8.568 -6.674 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 73 7.743 -6.450 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.437 -6.083 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.140 -5.738 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 73 8.766 -4.413 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.073 -2.392 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.149 -3.735 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.836 -3.388 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.833 -2.802 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.507 -3.768 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.247 -4.458 -3.171 1.00 0.00 H new ATOM 1141 N GLU A 74 9.786 -8.961 -2.512 1.00 0.00 N ATOM 1142 CA GLU A 74 10.302 -10.237 -2.999 1.00 0.00 C ATOM 1143 C GLU A 74 9.137 -11.175 -3.329 1.00 0.00 C ATOM 1144 O GLU A 74 9.142 -11.821 -4.377 1.00 0.00 O ATOM 1145 CB GLU A 74 11.247 -10.840 -1.947 1.00 0.00 C ATOM 1146 CG GLU A 74 11.937 -12.115 -2.450 1.00 0.00 C ATOM 1147 CD GLU A 74 12.958 -12.647 -1.429 1.00 0.00 C ATOM 1148 OE1 GLU A 74 12.581 -13.444 -0.539 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.157 -12.298 -1.520 1.00 0.00 O ATOM 0 H GLU A 74 10.015 -8.765 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 74 10.872 -10.088 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.003 -10.103 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.683 -11.067 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.187 -12.881 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.440 -11.909 -3.395 1.00 0.00 H new ATOM 1156 N TYR A 75 8.117 -11.208 -2.466 1.00 0.00 N ATOM 1157 CA TYR A 75 6.926 -12.018 -2.652 1.00 0.00 C ATOM 1158 C TYR A 75 6.202 -11.607 -3.932 1.00 0.00 C ATOM 1159 O TYR A 75 5.954 -12.449 -4.792 1.00 0.00 O ATOM 1160 CB TYR A 75 6.010 -11.882 -1.429 1.00 0.00 C ATOM 1161 CG TYR A 75 4.748 -12.714 -1.536 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.780 -14.081 -1.204 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.557 -12.135 -2.018 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.632 -14.877 -1.366 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.410 -12.927 -2.191 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.443 -14.303 -1.873 1.00 0.00 C ATOM 1167 OH TYR A 75 1.322 -15.057 -2.063 1.00 0.00 O ATOM 0 H TYR A 75 8.103 -10.660 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 75 7.213 -13.065 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.560 -12.180 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.738 -10.834 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.690 -14.521 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.526 -11.082 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.658 -15.924 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.501 -12.483 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 75 1.305 -15.788 -1.411 1.00 0.00 H new ATOM 1177 N LEU A 76 5.891 -10.318 -4.099 1.00 0.00 N ATOM 1178 CA LEU A 76 5.169 -9.821 -5.267 1.00 0.00 C ATOM 1179 C LEU A 76 6.018 -9.980 -6.528 1.00 0.00 C ATOM 1180 O LEU A 76 5.467 -10.130 -7.615 1.00 0.00 O ATOM 1181 CB LEU A 76 4.766 -8.348 -5.070 1.00 0.00 C ATOM 1182 CG LEU A 76 3.618 -8.130 -4.063 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.419 -6.627 -3.833 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.295 -8.755 -4.537 1.00 0.00 C ATOM 0 H LEU A 76 6.134 -9.592 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 76 4.260 -10.411 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.638 -7.787 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.471 -7.933 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 76 3.900 -8.625 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.608 -6.472 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.338 -6.195 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.170 -6.144 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.520 -8.573 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.000 -8.306 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.427 -9.829 -4.669 1.00 0.00 H new ATOM 1196 N GLY A 77 7.346 -9.981 -6.386 1.00 0.00 N ATOM 1197 CA GLY A 77 8.279 -10.202 -7.479 1.00 0.00 C ATOM 1198 C GLY A 77 8.330 -11.656 -7.964 1.00 0.00 C ATOM 1199 O GLY A 77 8.866 -11.894 -9.045 1.00 0.00 O ATOM 0 H GLY A 77 7.805 -9.825 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.004 -9.559 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.276 -9.900 -7.160 1.00 0.00 H new ATOM 1203 N ASN A 78 7.805 -12.629 -7.207 1.00 0.00 N ATOM 1204 CA ASN A 78 7.862 -14.047 -7.569 1.00 0.00 C ATOM 1205 C ASN A 78 6.708 -14.406 -8.518 1.00 0.00 C ATOM 1206 O ASN A 78 5.552 -14.398 -8.081 1.00 0.00 O ATOM 1207 CB ASN A 78 7.785 -14.916 -6.307 1.00 0.00 C ATOM 1208 CG ASN A 78 7.751 -16.401 -6.657 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.460 -16.863 -7.545 1.00 0.00 O ATOM 1210 ND2 ASN A 78 6.920 -17.179 -5.989 1.00 0.00 N ATOM 0 H ASN A 78 7.328 -12.451 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 78 8.807 -14.236 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.644 -14.710 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.894 -14.654 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.864 -18.173 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.334 -16.786 -5.252 1.00 0.00 H new ATOM 1217 N PRO A 79 6.961 -14.755 -9.794 1.00 0.00 N ATOM 1218 CA PRO A 79 5.894 -14.932 -10.771 1.00 0.00 C ATOM 1219 C PRO A 79 4.997 -16.140 -10.504 1.00 0.00 C ATOM 1220 O PRO A 79 3.832 -16.120 -10.907 1.00 0.00 O ATOM 1221 CB PRO A 79 6.568 -14.950 -12.138 1.00 0.00 C ATOM 1222 CG PRO A 79 7.967 -15.479 -11.829 1.00 0.00 C ATOM 1223 CD PRO A 79 8.257 -14.896 -10.445 1.00 0.00 C ATOM 0 HA PRO A 79 5.183 -14.108 -10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.039 -15.595 -12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.602 -13.956 -12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.994 -16.569 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.696 -15.147 -12.568 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.912 -15.553 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.762 -13.933 -10.524 1.00 0.00 H new ATOM 1231 N ALA A 80 5.474 -17.144 -9.759 1.00 0.00 N ATOM 1232 CA ALA A 80 4.650 -18.278 -9.347 1.00 0.00 C ATOM 1233 C ALA A 80 3.485 -17.867 -8.426 1.00 0.00 C ATOM 1234 O ALA A 80 2.593 -18.686 -8.193 1.00 0.00 O ATOM 1235 CB ALA A 80 5.528 -19.350 -8.692 1.00 0.00 C ATOM 0 H ALA A 80 6.438 -17.190 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 80 4.190 -18.693 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.907 -20.192 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.278 -19.691 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.024 -18.930 -7.817 1.00 0.00 H new ATOM 1241 N ASN A 81 3.459 -16.625 -7.919 1.00 0.00 N ATOM 1242 CA ASN A 81 2.347 -16.071 -7.146 1.00 0.00 C ATOM 1243 C ASN A 81 1.984 -14.650 -7.600 1.00 0.00 C ATOM 1244 O ASN A 81 1.487 -13.860 -6.798 1.00 0.00 O ATOM 1245 CB ASN A 81 2.600 -16.177 -5.627 1.00 0.00 C ATOM 1246 CG ASN A 81 3.782 -15.363 -5.111 1.00 0.00 C ATOM 1247 OD1 ASN A 81 4.785 -15.923 -4.679 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.697 -14.049 -5.135 1.00 0.00 N ATOM 0 H ASN A 81 4.229 -15.967 -8.040 1.00 0.00 H new ATOM 0 HA ASN A 81 1.468 -16.682 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.701 -15.857 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.762 -17.225 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.472 -13.481 -4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.856 -13.599 -5.497 1.00 0.00 H new ATOM 1255 N TYR A 82 2.220 -14.296 -8.870 1.00 0.00 N ATOM 1256 CA TYR A 82 1.696 -13.044 -9.416 1.00 0.00 C ATOM 1257 C TYR A 82 0.177 -12.898 -9.211 1.00 0.00 C ATOM 1258 O TYR A 82 -0.218 -11.824 -8.760 1.00 0.00 O ATOM 1259 CB TYR A 82 2.063 -12.877 -10.902 1.00 0.00 C ATOM 1260 CG TYR A 82 3.434 -12.312 -11.243 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.367 -11.908 -10.259 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.768 -12.175 -12.605 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.602 -11.358 -10.645 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.004 -11.631 -12.995 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.927 -11.210 -12.011 1.00 0.00 C ATOM 1266 OH TYR A 82 7.129 -10.674 -12.363 1.00 0.00 O ATOM 0 H TYR A 82 2.764 -14.853 -9.529 1.00 0.00 H new ATOM 0 HA TYR A 82 2.175 -12.243 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.977 -13.854 -11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.313 -12.232 -11.360 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.130 -12.022 -9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.064 -12.493 -13.360 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.308 -11.046 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.247 -11.535 -14.043 1.00 0.00 H new ATOM 0 HH TYR A 82 7.199 -10.642 -13.340 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.686 -13.896 -9.502 1.00 0.00 N ATOM 1277 CA PRO A 83 -2.117 -13.764 -9.248 1.00 0.00 C ATOM 1278 C PRO A 83 -2.403 -13.803 -7.742 1.00 0.00 C ATOM 1279 O PRO A 83 -2.380 -14.880 -7.140 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.796 -14.893 -10.032 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.710 -15.959 -10.146 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.421 -15.142 -10.216 1.00 0.00 C ATOM 0 HA PRO A 83 -2.512 -12.805 -9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.675 -15.271 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.130 -14.555 -11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.714 -16.631 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.844 -16.576 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.408 -15.683 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.141 -14.945 -11.251 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.701 -12.649 -7.135 1.00 0.00 N ATOM 1291 CA VAL A 84 -3.069 -12.548 -5.716 1.00 0.00 C ATOM 1292 C VAL A 84 -4.078 -11.418 -5.518 1.00 0.00 C ATOM 1293 O VAL A 84 -4.153 -10.489 -6.323 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.839 -12.326 -4.796 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -1.077 -13.630 -4.522 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -0.862 -11.249 -5.290 1.00 0.00 C ATOM 0 H VAL A 84 -2.694 -11.751 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.517 -13.500 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.269 -11.957 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.225 -13.424 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.741 -14.343 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.724 -14.050 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.033 -11.160 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.478 -11.529 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.381 -10.293 -5.362 1.00 0.00 H new ATOM 1306 N SER A 85 -4.841 -11.483 -4.429 1.00 0.00 N ATOM 1307 CA SER A 85 -5.686 -10.387 -3.984 1.00 0.00 C ATOM 1308 C SER A 85 -4.807 -9.451 -3.163 1.00 0.00 C ATOM 1309 O SER A 85 -3.906 -9.918 -2.461 1.00 0.00 O ATOM 1310 CB SER A 85 -6.826 -10.934 -3.122 1.00 0.00 C ATOM 1311 OG SER A 85 -7.547 -11.932 -3.828 1.00 0.00 O ATOM 0 H SER A 85 -4.888 -12.306 -3.829 1.00 0.00 H new ATOM 0 HA SER A 85 -6.125 -9.858 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.424 -11.352 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.497 -10.123 -2.839 1.00 0.00 H new ATOM 0 HG SER A 85 -8.272 -12.273 -3.263 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.067 -8.150 -3.218 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.340 -7.149 -2.453 1.00 0.00 C ATOM 1319 C ILE A 86 -5.387 -6.186 -1.892 1.00 0.00 C ATOM 1320 O ILE A 86 -6.401 -5.901 -2.539 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.271 -6.444 -3.337 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.342 -7.477 -4.030 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.433 -5.443 -2.517 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.210 -6.887 -4.879 1.00 0.00 C ATOM 0 H ILE A 86 -5.802 -7.756 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.778 -7.595 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.808 -5.891 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.902 -8.115 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.952 -8.118 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.696 -4.969 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.088 -4.681 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.922 -5.970 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.624 -7.695 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.633 -6.275 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.567 -6.271 -4.250 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.130 -5.690 -0.681 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.867 -4.600 -0.058 1.00 0.00 C ATOM 1338 C ARG A 87 -4.827 -3.513 0.127 1.00 0.00 C ATOM 1339 O ARG A 87 -3.731 -3.794 0.621 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.482 -4.999 1.298 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.482 -6.157 1.180 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.352 -6.350 2.433 1.00 0.00 C ATOM 1343 NE ARG A 87 -7.599 -6.855 3.600 1.00 0.00 N ATOM 1344 CZ ARG A 87 -7.482 -8.139 3.975 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -7.988 -9.122 3.238 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -6.838 -8.448 5.099 1.00 0.00 N ATOM 0 H ARG A 87 -4.379 -6.050 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.714 -4.290 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.684 -5.283 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.984 -4.134 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.130 -5.980 0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.935 -7.079 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.816 -5.399 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.159 -7.046 2.202 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.122 -6.161 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.477 -8.908 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.888 -10.091 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.434 -7.709 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.749 -9.423 5.384 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.147 -2.287 -0.255 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.279 -1.141 -0.067 1.00 0.00 C ATOM 1362 C PHE A 88 -5.153 0.046 0.309 1.00 0.00 C ATOM 1363 O PHE A 88 -6.379 0.008 0.174 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.403 -0.901 -1.313 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.120 -0.716 -2.638 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -4.758 0.505 -2.935 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.080 -1.738 -3.607 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -5.361 0.701 -4.190 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -4.670 -1.532 -4.865 1.00 0.00 C ATOM 1370 CZ PHE A 88 -5.316 -0.318 -5.158 1.00 0.00 C ATOM 0 H PHE A 88 -6.031 -2.059 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.570 -1.312 0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.793 -0.016 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.719 -1.744 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.784 1.293 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.597 -2.678 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.859 1.634 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.627 -2.311 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.776 -0.169 -6.124 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.530 1.099 0.816 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.233 2.243 1.353 1.00 0.00 C ATOM 1382 C GLY A 89 -4.251 3.356 1.619 1.00 0.00 C ATOM 1383 O GLY A 89 -3.086 3.258 1.237 1.00 0.00 O ATOM 0 H GLY A 89 -3.514 1.179 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.996 2.577 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.746 1.968 2.274 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.699 4.448 2.226 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.749 5.464 2.656 1.00 0.00 C ATOM 1389 C ARG A 90 -2.897 4.892 3.806 1.00 0.00 C ATOM 1390 O ARG A 90 -3.317 3.916 4.435 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.492 6.737 3.060 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.435 7.354 2.009 1.00 0.00 C ATOM 1393 CD ARG A 90 -4.889 7.422 0.577 1.00 0.00 C ATOM 1394 NE ARG A 90 -3.612 8.148 0.458 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.897 8.242 -0.671 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.321 7.658 -1.790 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -1.758 8.916 -0.682 1.00 0.00 N ATOM 0 H ARG A 90 -5.679 4.649 2.426 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.080 5.734 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.076 6.520 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.753 7.489 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.361 6.779 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.692 8.364 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.755 6.408 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.630 7.903 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.248 8.610 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.196 7.134 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.771 7.734 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.423 9.365 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.215 8.986 -1.543 1.00 0.00 H new ATOM 1411 N PRO A 91 -1.701 5.451 4.074 1.00 0.00 N ATOM 1412 CA PRO A 91 -0.791 4.955 5.104 1.00 0.00 C ATOM 1413 C PRO A 91 -1.429 4.728 6.482 1.00 0.00 C ATOM 1414 O PRO A 91 -2.418 5.368 6.852 1.00 0.00 O ATOM 1415 CB PRO A 91 0.338 5.988 5.170 1.00 0.00 C ATOM 1416 CG PRO A 91 0.401 6.526 3.745 1.00 0.00 C ATOM 1417 CD PRO A 91 -1.067 6.534 3.330 1.00 0.00 C ATOM 0 HA PRO A 91 -0.444 3.958 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.120 6.777 5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.282 5.534 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.839 7.523 3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.003 5.889 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.533 7.492 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.170 6.382 2.256 1.00 0.00 H new ATOM 1425 N ARG A 92 -0.780 3.861 7.274 1.00 0.00 N ATOM 1426 CA ARG A 92 -1.195 3.447 8.625 1.00 0.00 C ATOM 1427 C ARG A 92 -1.251 4.608 9.634 1.00 0.00 C ATOM 1428 O ARG A 92 -1.717 4.411 10.758 1.00 0.00 O ATOM 1429 CB ARG A 92 -0.210 2.384 9.168 1.00 0.00 C ATOM 1430 CG ARG A 92 -0.019 1.097 8.342 1.00 0.00 C ATOM 1431 CD ARG A 92 -1.210 0.130 8.395 1.00 0.00 C ATOM 1432 NE ARG A 92 -0.855 -1.169 7.787 1.00 0.00 N ATOM 1433 CZ ARG A 92 -1.599 -2.284 7.797 1.00 0.00 C ATOM 1434 NH1 ARG A 92 -2.821 -2.318 8.316 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -1.137 -3.409 7.281 1.00 0.00 N ATOM 0 H ARG A 92 0.086 3.409 6.979 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.204 3.048 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.765 2.857 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.543 2.096 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.166 1.370 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.871 0.579 8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.518 -0.019 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.060 0.563 7.869 1.00 0.00 H new ATOM 0 HE ARG A 92 0.046 -1.223 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.225 -1.476 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.356 -3.186 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.204 -3.436 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.713 -4.251 7.295 1.00 0.00 H new ATOM 1449 N LEU A 93 -0.743 5.786 9.275 1.00 0.00 N ATOM 1450 CA LEU A 93 -0.583 6.965 10.121 1.00 0.00 C ATOM 1451 C LEU A 93 -0.955 8.209 9.312 1.00 0.00 C ATOM 1452 O LEU A 93 -1.301 8.097 8.137 1.00 0.00 O ATOM 1453 CB LEU A 93 0.847 7.034 10.706 1.00 0.00 C ATOM 1454 CG LEU A 93 1.977 7.521 9.768 1.00 0.00 C ATOM 1455 CD1 LEU A 93 3.299 7.536 10.544 1.00 0.00 C ATOM 1456 CD2 LEU A 93 2.142 6.655 8.514 1.00 0.00 C ATOM 0 H LEU A 93 -0.411 5.952 8.325 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.254 6.906 10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.824 7.691 11.575 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.112 6.040 11.065 1.00 0.00 H new ATOM 0 HG LEU A 93 1.702 8.520 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.101 7.878 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.213 8.210 11.396 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.524 6.530 10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.951 7.053 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.378 5.632 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.215 6.664 7.941 1.00 0.00 H new ATOM 1468 N THR A 94 -0.867 9.382 9.934 1.00 0.00 N ATOM 1469 CA THR A 94 -1.358 10.672 9.450 1.00 0.00 C ATOM 1470 C THR A 94 -0.833 11.102 8.062 1.00 0.00 C ATOM 1471 O THR A 94 -1.418 12.003 7.455 1.00 0.00 O ATOM 1472 CB THR A 94 -1.043 11.735 10.533 1.00 0.00 C ATOM 1473 OG1 THR A 94 -1.006 11.154 11.833 1.00 0.00 O ATOM 1474 CG2 THR A 94 -2.077 12.867 10.561 1.00 0.00 C ATOM 0 H THR A 94 -0.422 9.463 10.848 1.00 0.00 H new ATOM 0 HA THR A 94 -2.431 10.572 9.290 1.00 0.00 H new ATOM 0 HB THR A 94 -0.068 12.142 10.267 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.804 11.847 12.495 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.810 13.585 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.094 13.368 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.063 12.454 10.773 1.00 0.00 H new ATOM 1482 N SER A 95 0.240 10.492 7.546 1.00 0.00 N ATOM 1483 CA SER A 95 0.748 10.723 6.197 1.00 0.00 C ATOM 1484 C SER A 95 -0.379 10.570 5.162 1.00 0.00 C ATOM 1485 O SER A 95 -1.184 9.638 5.259 1.00 0.00 O ATOM 1486 CB SER A 95 1.897 9.746 5.922 1.00 0.00 C ATOM 1487 OG SER A 95 2.824 9.754 6.998 1.00 0.00 O ATOM 0 H SER A 95 0.789 9.810 8.069 1.00 0.00 H new ATOM 0 HA SER A 95 1.125 11.742 6.115 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.501 8.740 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.403 10.021 4.996 1.00 0.00 H new ATOM 0 HG SER A 95 3.551 9.124 6.809 1.00 0.00 H new ATOM 1493 N ASN A 96 -0.451 11.502 4.203 1.00 0.00 N ATOM 1494 CA ASN A 96 -1.575 11.629 3.273 1.00 0.00 C ATOM 1495 C ASN A 96 -1.853 10.325 2.542 1.00 0.00 C ATOM 1496 O ASN A 96 -0.972 9.852 1.794 1.00 0.00 O ATOM 1497 CB ASN A 96 -1.338 12.748 2.250 1.00 0.00 C ATOM 1498 CG ASN A 96 -2.473 12.760 1.229 1.00 0.00 C ATOM 1499 OD1 ASN A 96 -2.288 12.413 0.066 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -3.668 13.146 1.642 1.00 0.00 N ATOM 1501 OXT ASN A 96 -2.981 9.814 2.687 1.00 0.00 O ATOM 0 H ASN A 96 0.280 12.197 4.051 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.446 11.883 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.282 13.711 2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.384 12.597 1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.453 13.159 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.805 13.431 2.612 1.00 0.00 H new TER 1508 ASN A 96