USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 876 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 51 MET CE :methyl 167:sc= -0.0341 (180deg=-0.406) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -114:sc= 0 (180deg=0) USER MOD Set 1.3: A 65 TYR OH : rot 100:sc= -0.134 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -170:sc= -0.155 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -103:sc= -1.85! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -139:sc= -1.21 (180deg=-4.63!) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.843 USER MOD Single : A 22 MET CE :methyl -126:sc= -1.13 (180deg=-2.21) USER MOD Single : A 24 THR OG1 : rot -8:sc= 1.15 USER MOD Single : A 25 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-2.1) USER MOD Single : A 36 ASN : amide:sc= -1.89! C(o=-1.9!,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc=-0.00806 (180deg=-0.129) USER MOD Single : A 54 SER OG : rot 66:sc= 0.73 USER MOD Single : A 55 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 100:sc= 0.735 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 67 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 30:sc= 0.336 USER MOD Single : A 81 ASN : amide:sc= -4.69! C(o=-4.7!,f=-5.2!) USER MOD Single : A 82 CYS SG : rot -48:sc= -0.136 USER MOD Single : A 84 THR OG1 : rot 8:sc= 0.047 USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 90 SER OG : rot -70:sc= 1.65 USER MOD Single : A 97 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-12!) USER MOD Single : A 98 ASN : amide:sc= 0.977 K(o=0.98,f=-2.6!) USER MOD Single : A 99 MET CE :methyl -139:sc= -0.212 (180deg=-0.449) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc=-0.00712 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 64:sc= 0.92 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.534 28.395 -9.022 1.00 0.00 N ATOM 2 CA GLY A 1 -7.648 28.525 -8.101 1.00 0.00 C ATOM 3 C GLY A 1 -7.362 29.502 -6.978 1.00 0.00 C ATOM 4 O GLY A 1 -6.682 30.509 -7.180 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.875 28.507 -9.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.826 29.129 -8.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.101 27.456 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.531 28.854 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.881 27.548 -7.678 1.00 0.00 H new ATOM 8 N SER A 2 -7.883 29.207 -5.791 1.00 0.00 N ATOM 9 CA SER A 2 -7.684 30.071 -4.633 1.00 0.00 C ATOM 10 C SER A 2 -6.479 29.614 -3.816 1.00 0.00 C ATOM 11 O SER A 2 -6.078 28.452 -3.877 1.00 0.00 O ATOM 12 CB SER A 2 -8.937 30.079 -3.755 1.00 0.00 C ATOM 13 OG SER A 2 -8.807 31.004 -2.690 1.00 0.00 O ATOM 0 H SER A 2 -8.446 28.377 -5.606 1.00 0.00 H new ATOM 0 HA SER A 2 -7.495 31.082 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.807 30.336 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.111 29.080 -3.354 1.00 0.00 H new ATOM 0 HG SER A 2 -9.621 30.992 -2.145 1.00 0.00 H new ATOM 19 N SER A 3 -5.907 30.537 -3.050 1.00 0.00 N ATOM 20 CA SER A 3 -4.746 30.232 -2.223 1.00 0.00 C ATOM 21 C SER A 3 -5.168 29.548 -0.926 1.00 0.00 C ATOM 22 O SER A 3 -6.339 29.573 -0.550 1.00 0.00 O ATOM 23 CB SER A 3 -3.967 31.510 -1.908 1.00 0.00 C ATOM 24 OG SER A 3 -3.403 32.066 -3.083 1.00 0.00 O ATOM 0 H SER A 3 -6.229 31.503 -2.985 1.00 0.00 H new ATOM 0 HA SER A 3 -4.103 29.551 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.630 32.238 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.177 31.290 -1.190 1.00 0.00 H new ATOM 0 HG SER A 3 -2.912 32.883 -2.855 1.00 0.00 H new ATOM 30 N GLY A 4 -4.203 28.936 -0.245 1.00 0.00 N ATOM 31 CA GLY A 4 -4.493 28.254 1.002 1.00 0.00 C ATOM 32 C GLY A 4 -3.826 26.895 1.088 1.00 0.00 C ATOM 33 O GLY A 4 -3.632 26.226 0.073 1.00 0.00 O ATOM 0 H GLY A 4 -3.226 28.901 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.161 28.872 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.571 28.133 1.104 1.00 0.00 H new ATOM 37 N SER A 5 -3.473 26.486 2.303 1.00 0.00 N ATOM 38 CA SER A 5 -2.819 25.201 2.517 1.00 0.00 C ATOM 39 C SER A 5 -3.568 24.377 3.559 1.00 0.00 C ATOM 40 O SER A 5 -4.542 24.842 4.151 1.00 0.00 O ATOM 41 CB SER A 5 -1.370 25.410 2.960 1.00 0.00 C ATOM 42 OG SER A 5 -1.306 26.190 4.142 1.00 0.00 O ATOM 0 H SER A 5 -3.629 27.026 3.154 1.00 0.00 H new ATOM 0 HA SER A 5 -2.828 24.655 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.896 24.444 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.811 25.902 2.165 1.00 0.00 H new ATOM 0 HG SER A 5 -0.370 26.308 4.406 1.00 0.00 H new ATOM 48 N SER A 6 -3.106 23.150 3.778 1.00 0.00 N ATOM 49 CA SER A 6 -3.734 22.258 4.746 1.00 0.00 C ATOM 50 C SER A 6 -2.862 22.105 5.989 1.00 0.00 C ATOM 51 O SER A 6 -2.674 21.000 6.496 1.00 0.00 O ATOM 52 CB SER A 6 -3.991 20.888 4.117 1.00 0.00 C ATOM 53 OG SER A 6 -2.774 20.239 3.793 1.00 0.00 O ATOM 0 H SER A 6 -2.299 22.751 3.298 1.00 0.00 H new ATOM 0 HA SER A 6 -4.686 22.697 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.564 20.269 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.595 21.005 3.217 1.00 0.00 H new ATOM 0 HG SER A 6 -2.961 19.443 3.253 1.00 0.00 H new ATOM 59 N GLY A 7 -2.332 23.223 6.474 1.00 0.00 N ATOM 60 CA GLY A 7 -1.486 23.193 7.653 1.00 0.00 C ATOM 61 C GLY A 7 -0.161 22.503 7.397 1.00 0.00 C ATOM 62 O GLY A 7 0.388 22.586 6.298 1.00 0.00 O ATOM 0 H GLY A 7 -2.473 24.150 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.302 24.213 7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.010 22.680 8.460 1.00 0.00 H new ATOM 66 N ASP A 8 0.356 21.822 8.414 1.00 0.00 N ATOM 67 CA ASP A 8 1.626 21.115 8.295 1.00 0.00 C ATOM 68 C ASP A 8 1.459 19.637 8.634 1.00 0.00 C ATOM 69 O ASP A 8 1.948 18.767 7.914 1.00 0.00 O ATOM 70 CB ASP A 8 2.673 21.747 9.214 1.00 0.00 C ATOM 71 CG ASP A 8 4.084 21.311 8.869 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.384 20.107 9.011 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.888 22.174 8.458 1.00 0.00 O ATOM 0 H ASP A 8 -0.085 21.745 9.330 1.00 0.00 H new ATOM 0 HA ASP A 8 1.964 21.196 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.604 22.833 9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.455 21.478 10.248 1.00 0.00 H new ATOM 78 N SER A 9 0.767 19.362 9.735 1.00 0.00 N ATOM 79 CA SER A 9 0.540 17.989 10.171 1.00 0.00 C ATOM 80 C SER A 9 -0.869 17.530 9.810 1.00 0.00 C ATOM 81 O SER A 9 -1.080 16.382 9.417 1.00 0.00 O ATOM 82 CB SER A 9 0.756 17.870 11.681 1.00 0.00 C ATOM 83 OG SER A 9 -0.021 18.824 12.384 1.00 0.00 O ATOM 0 H SER A 9 0.354 20.071 10.341 1.00 0.00 H new ATOM 0 HA SER A 9 1.255 17.347 9.656 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.491 16.866 12.011 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.811 18.014 11.913 1.00 0.00 H new ATOM 0 HG SER A 9 0.133 18.726 13.347 1.00 0.00 H new ATOM 89 N LYS A 10 -1.833 18.435 9.946 1.00 0.00 N ATOM 90 CA LYS A 10 -3.223 18.126 9.633 1.00 0.00 C ATOM 91 C LYS A 10 -3.314 17.147 8.467 1.00 0.00 C ATOM 92 O LYS A 10 -4.019 16.140 8.543 1.00 0.00 O ATOM 93 CB LYS A 10 -3.989 19.408 9.297 1.00 0.00 C ATOM 94 CG LYS A 10 -5.367 19.157 8.710 1.00 0.00 C ATOM 95 CD LYS A 10 -6.386 18.845 9.792 1.00 0.00 C ATOM 96 CE LYS A 10 -7.645 18.222 9.210 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.606 17.815 10.273 1.00 0.00 N ATOM 0 H LYS A 10 -1.676 19.389 10.271 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.672 17.661 10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.092 20.007 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.404 19.996 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.689 20.034 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.318 18.327 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.946 18.165 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.645 19.760 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.126 18.934 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.376 17.352 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.451 17.395 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.156 17.116 10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.883 18.649 10.829 1.00 0.00 H new ATOM 111 N ASP A 11 -2.595 17.447 7.391 1.00 0.00 N ATOM 112 CA ASP A 11 -2.592 16.591 6.210 1.00 0.00 C ATOM 113 C ASP A 11 -2.153 15.174 6.567 1.00 0.00 C ATOM 114 O ASP A 11 -2.788 14.197 6.168 1.00 0.00 O ATOM 115 CB ASP A 11 -1.669 17.170 5.137 1.00 0.00 C ATOM 116 CG ASP A 11 -0.269 17.430 5.656 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.104 17.533 6.890 1.00 0.00 O ATOM 118 OD2 ASP A 11 0.661 17.533 4.829 1.00 0.00 O ATOM 0 H ASP A 11 -2.007 18.276 7.312 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.609 16.549 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.619 16.480 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.093 18.101 4.761 1.00 0.00 H new ATOM 123 N LEU A 12 -1.062 15.070 7.318 1.00 0.00 N ATOM 124 CA LEU A 12 -0.537 13.773 7.728 1.00 0.00 C ATOM 125 C LEU A 12 -1.567 13.001 8.546 1.00 0.00 C ATOM 126 O LEU A 12 -1.648 11.776 8.464 1.00 0.00 O ATOM 127 CB LEU A 12 0.746 13.954 8.542 1.00 0.00 C ATOM 128 CG LEU A 12 2.026 14.177 7.737 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.403 12.917 6.973 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.859 15.351 6.783 1.00 0.00 C ATOM 0 H LEU A 12 -0.524 15.868 7.655 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.312 13.200 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.610 14.802 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.883 13.072 9.167 1.00 0.00 H new ATOM 0 HG LEU A 12 2.833 14.411 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.317 13.095 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.566 12.100 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.597 12.652 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.780 15.495 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.039 15.146 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.638 16.254 7.352 1.00 0.00 H new ATOM 142 N ALA A 13 -2.354 13.727 9.334 1.00 0.00 N ATOM 143 CA ALA A 13 -3.382 13.112 10.164 1.00 0.00 C ATOM 144 C ALA A 13 -4.371 12.320 9.315 1.00 0.00 C ATOM 145 O ALA A 13 -4.606 11.136 9.560 1.00 0.00 O ATOM 146 CB ALA A 13 -4.111 14.173 10.975 1.00 0.00 C ATOM 0 H ALA A 13 -2.299 14.742 9.415 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.894 12.419 10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.876 13.699 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.400 14.693 11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.580 14.888 10.300 1.00 0.00 H new ATOM 152 N LEU A 14 -4.949 12.980 8.318 1.00 0.00 N ATOM 153 CA LEU A 14 -5.914 12.337 7.432 1.00 0.00 C ATOM 154 C LEU A 14 -5.292 11.134 6.731 1.00 0.00 C ATOM 155 O LEU A 14 -5.918 10.080 6.612 1.00 0.00 O ATOM 156 CB LEU A 14 -6.428 13.337 6.395 1.00 0.00 C ATOM 157 CG LEU A 14 -7.340 14.445 6.925 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.295 15.657 6.008 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.767 13.937 7.072 1.00 0.00 C ATOM 0 H LEU A 14 -4.767 13.960 8.102 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.751 11.988 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.569 13.802 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.969 12.786 5.625 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.980 14.746 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.950 16.435 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.274 16.035 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.629 15.371 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.401 14.739 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.138 13.608 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.785 13.100 7.770 1.00 0.00 H new ATOM 171 N CYS A 15 -4.057 11.298 6.270 1.00 0.00 N ATOM 172 CA CYS A 15 -3.349 10.224 5.581 1.00 0.00 C ATOM 173 C CYS A 15 -3.423 8.926 6.378 1.00 0.00 C ATOM 174 O CYS A 15 -3.591 7.846 5.811 1.00 0.00 O ATOM 175 CB CYS A 15 -1.888 10.613 5.352 1.00 0.00 C ATOM 176 SG CYS A 15 -1.664 12.001 4.214 1.00 0.00 S ATOM 0 H CYS A 15 -3.525 12.164 6.361 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.831 10.065 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.436 10.866 6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.349 9.748 4.964 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.276 11.555 3.056 1.00 0.00 H new ATOM 182 N SER A 16 -3.294 9.038 7.696 1.00 0.00 N ATOM 183 CA SER A 16 -3.341 7.873 8.571 1.00 0.00 C ATOM 184 C SER A 16 -4.682 7.156 8.451 1.00 0.00 C ATOM 185 O SER A 16 -4.741 5.927 8.423 1.00 0.00 O ATOM 186 CB SER A 16 -3.101 8.289 10.024 1.00 0.00 C ATOM 187 OG SER A 16 -3.266 7.190 10.903 1.00 0.00 O ATOM 0 H SER A 16 -3.156 9.924 8.181 1.00 0.00 H new ATOM 0 HA SER A 16 -2.553 7.187 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.094 8.694 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.794 9.084 10.297 1.00 0.00 H new ATOM 0 HG SER A 16 -3.106 7.481 11.825 1.00 0.00 H new ATOM 193 N MET A 17 -5.757 7.934 8.379 1.00 0.00 N ATOM 194 CA MET A 17 -7.099 7.374 8.261 1.00 0.00 C ATOM 195 C MET A 17 -7.221 6.518 7.004 1.00 0.00 C ATOM 196 O MET A 17 -7.395 5.302 7.085 1.00 0.00 O ATOM 197 CB MET A 17 -8.141 8.494 8.232 1.00 0.00 C ATOM 198 CG MET A 17 -7.939 9.539 9.318 1.00 0.00 C ATOM 199 SD MET A 17 -9.480 10.337 9.808 1.00 0.00 S ATOM 200 CE MET A 17 -10.060 10.954 8.230 1.00 0.00 C ATOM 0 H MET A 17 -5.725 8.953 8.400 1.00 0.00 H new ATOM 0 HA MET A 17 -7.280 6.741 9.130 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.110 8.983 7.258 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.134 8.058 8.339 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.485 9.068 10.190 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.239 10.296 8.963 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.472 11.955 8.360 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.228 10.993 7.526 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.833 10.291 7.842 1.00 0.00 H new ATOM 210 N ILE A 18 -7.130 7.161 5.845 1.00 0.00 N ATOM 211 CA ILE A 18 -7.230 6.457 4.572 1.00 0.00 C ATOM 212 C ILE A 18 -6.407 5.174 4.587 1.00 0.00 C ATOM 213 O ILE A 18 -6.917 4.092 4.294 1.00 0.00 O ATOM 214 CB ILE A 18 -6.760 7.341 3.401 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.591 8.624 3.338 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.855 6.577 2.090 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.834 9.807 2.776 1.00 0.00 C ATOM 0 H ILE A 18 -6.987 8.167 5.761 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.282 6.209 4.431 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.717 7.613 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.475 8.445 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.941 8.870 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.520 7.215 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.225 5.689 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.889 6.279 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.485 10.681 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.964 10.012 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.507 9.581 1.761 1.00 0.00 H new ATOM 229 N LEU A 19 -5.130 5.300 4.932 1.00 0.00 N ATOM 230 CA LEU A 19 -4.235 4.150 4.988 1.00 0.00 C ATOM 231 C LEU A 19 -4.872 3.001 5.763 1.00 0.00 C ATOM 232 O LEU A 19 -4.803 1.844 5.349 1.00 0.00 O ATOM 233 CB LEU A 19 -2.907 4.544 5.637 1.00 0.00 C ATOM 234 CG LEU A 19 -1.830 3.458 5.676 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.363 3.120 4.268 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.657 3.901 6.537 1.00 0.00 C ATOM 0 H LEU A 19 -4.691 6.188 5.177 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.049 3.816 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.506 5.406 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.107 4.866 6.659 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.261 2.560 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.597 2.346 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.208 2.760 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.949 4.012 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.099 3.116 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.225 4.812 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.003 4.092 7.553 1.00 0.00 H new ATOM 248 N THR A 20 -5.495 3.329 6.891 1.00 0.00 N ATOM 249 CA THR A 20 -6.146 2.325 7.724 1.00 0.00 C ATOM 250 C THR A 20 -7.240 1.597 6.953 1.00 0.00 C ATOM 251 O THR A 20 -7.119 0.408 6.661 1.00 0.00 O ATOM 252 CB THR A 20 -6.757 2.956 8.989 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.734 3.591 9.764 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.460 1.903 9.833 1.00 0.00 C ATOM 0 H THR A 20 -5.562 4.282 7.249 1.00 0.00 H new ATOM 0 HA THR A 20 -5.377 1.611 8.019 1.00 0.00 H new ATOM 0 HB THR A 20 -7.491 3.700 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.408 4.384 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.884 2.372 10.721 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.258 1.443 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.743 1.139 10.133 1.00 0.00 H new ATOM 262 N GLU A 21 -8.308 2.318 6.625 1.00 0.00 N ATOM 263 CA GLU A 21 -9.424 1.739 5.887 1.00 0.00 C ATOM 264 C GLU A 21 -8.926 0.764 4.825 1.00 0.00 C ATOM 265 O GLU A 21 -9.427 -0.354 4.709 1.00 0.00 O ATOM 266 CB GLU A 21 -10.259 2.841 5.233 1.00 0.00 C ATOM 267 CG GLU A 21 -11.079 3.652 6.222 1.00 0.00 C ATOM 268 CD GLU A 21 -12.109 2.812 6.952 1.00 0.00 C ATOM 269 OE1 GLU A 21 -13.242 2.686 6.441 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.783 2.281 8.034 1.00 0.00 O ATOM 0 H GLU A 21 -8.423 3.304 6.859 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.048 1.192 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.596 3.512 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.930 2.391 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.411 4.114 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.584 4.461 5.693 1.00 0.00 H new ATOM 277 N MET A 22 -7.935 1.196 4.051 1.00 0.00 N ATOM 278 CA MET A 22 -7.369 0.362 2.998 1.00 0.00 C ATOM 279 C MET A 22 -6.649 -0.846 3.589 1.00 0.00 C ATOM 280 O MET A 22 -6.826 -1.972 3.127 1.00 0.00 O ATOM 281 CB MET A 22 -6.400 1.177 2.138 1.00 0.00 C ATOM 282 CG MET A 22 -7.080 2.261 1.318 1.00 0.00 C ATOM 283 SD MET A 22 -6.161 2.682 -0.175 1.00 0.00 S ATOM 284 CE MET A 22 -4.540 3.019 0.509 1.00 0.00 C ATOM 0 H MET A 22 -7.508 2.119 4.134 1.00 0.00 H new ATOM 0 HA MET A 22 -8.187 0.005 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.652 1.637 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.869 0.503 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.081 1.929 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.198 3.154 1.931 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.210 4.008 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.590 2.985 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.832 2.269 0.154 1.00 0.00 H new ATOM 294 N GLU A 23 -5.837 -0.603 4.613 1.00 0.00 N ATOM 295 CA GLU A 23 -5.090 -1.672 5.266 1.00 0.00 C ATOM 296 C GLU A 23 -6.029 -2.770 5.756 1.00 0.00 C ATOM 297 O GLU A 23 -5.609 -3.903 5.992 1.00 0.00 O ATOM 298 CB GLU A 23 -4.281 -1.116 6.440 1.00 0.00 C ATOM 299 CG GLU A 23 -2.943 -0.524 6.030 1.00 0.00 C ATOM 300 CD GLU A 23 -1.930 -0.537 7.159 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.345 -0.676 8.328 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.721 -0.408 6.871 1.00 0.00 O ATOM 0 H GLU A 23 -5.680 0.324 5.008 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.406 -2.102 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.869 -0.349 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.110 -1.914 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.546 -1.084 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.092 0.501 5.692 1.00 0.00 H new ATOM 309 N THR A 24 -7.305 -2.426 5.908 1.00 0.00 N ATOM 310 CA THR A 24 -8.303 -3.381 6.372 1.00 0.00 C ATOM 311 C THR A 24 -9.209 -3.828 5.230 1.00 0.00 C ATOM 312 O THR A 24 -10.392 -4.100 5.433 1.00 0.00 O ATOM 313 CB THR A 24 -9.171 -2.785 7.497 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.917 -1.668 7.000 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.308 -2.344 8.669 1.00 0.00 C ATOM 0 H THR A 24 -7.671 -1.493 5.716 1.00 0.00 H new ATOM 0 HA THR A 24 -7.759 -4.242 6.760 1.00 0.00 H new ATOM 0 HB THR A 24 -9.859 -3.556 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.618 -1.453 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.942 -1.927 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.763 -3.202 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.599 -1.587 8.334 1.00 0.00 H new ATOM 323 N HIS A 25 -8.645 -3.901 4.028 1.00 0.00 N ATOM 324 CA HIS A 25 -9.403 -4.317 2.853 1.00 0.00 C ATOM 325 C HIS A 25 -9.142 -5.785 2.529 1.00 0.00 C ATOM 326 O HIS A 25 -8.055 -6.302 2.786 1.00 0.00 O ATOM 327 CB HIS A 25 -9.038 -3.445 1.651 1.00 0.00 C ATOM 328 CG HIS A 25 -10.165 -3.260 0.681 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.283 -3.990 -0.483 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.228 -2.423 0.709 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.370 -3.609 -1.130 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.962 -2.659 -0.428 1.00 0.00 N ATOM 0 H HIS A 25 -7.667 -3.678 3.842 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.464 -4.195 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.712 -2.468 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.192 -3.893 1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.457 -1.704 1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.716 -4.007 -2.073 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.824 -2.179 -0.688 1.00 0.00 H new ATOM 340 N GLU A 26 -10.145 -6.449 1.965 1.00 0.00 N ATOM 341 CA GLU A 26 -10.023 -7.858 1.609 1.00 0.00 C ATOM 342 C GLU A 26 -8.973 -8.054 0.520 1.00 0.00 C ATOM 343 O GLU A 26 -8.584 -9.182 0.214 1.00 0.00 O ATOM 344 CB GLU A 26 -11.372 -8.406 1.137 1.00 0.00 C ATOM 345 CG GLU A 26 -11.822 -7.845 -0.201 1.00 0.00 C ATOM 346 CD GLU A 26 -12.884 -8.700 -0.865 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.963 -9.904 -0.544 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.636 -8.164 -1.706 1.00 0.00 O ATOM 0 H GLU A 26 -11.051 -6.035 1.745 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.707 -8.405 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.308 -9.492 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.129 -8.182 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.211 -6.837 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.961 -7.762 -0.864 1.00 0.00 H new ATOM 355 N ASP A 27 -8.519 -6.950 -0.062 1.00 0.00 N ATOM 356 CA ASP A 27 -7.513 -6.999 -1.117 1.00 0.00 C ATOM 357 C ASP A 27 -6.405 -5.983 -0.859 1.00 0.00 C ATOM 358 O ASP A 27 -5.876 -5.377 -1.791 1.00 0.00 O ATOM 359 CB ASP A 27 -8.158 -6.736 -2.478 1.00 0.00 C ATOM 360 CG ASP A 27 -8.650 -8.007 -3.141 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.903 -9.007 -3.137 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.784 -8.002 -3.664 1.00 0.00 O ATOM 0 H ASP A 27 -8.832 -6.009 0.179 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.072 -7.996 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.994 -6.048 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.436 -6.246 -3.130 1.00 0.00 H new ATOM 367 N ALA A 28 -6.060 -5.801 0.411 1.00 0.00 N ATOM 368 CA ALA A 28 -5.014 -4.858 0.791 1.00 0.00 C ATOM 369 C ALA A 28 -3.882 -5.563 1.531 1.00 0.00 C ATOM 370 O ALA A 28 -2.877 -4.945 1.879 1.00 0.00 O ATOM 371 CB ALA A 28 -5.595 -3.744 1.649 1.00 0.00 C ATOM 0 H ALA A 28 -6.489 -6.294 1.194 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.602 -4.423 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.804 -3.047 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.364 -3.215 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.034 -4.171 2.551 1.00 0.00 H new ATOM 377 N TRP A 29 -4.053 -6.858 1.768 1.00 0.00 N ATOM 378 CA TRP A 29 -3.045 -7.647 2.468 1.00 0.00 C ATOM 379 C TRP A 29 -1.851 -7.929 1.564 1.00 0.00 C ATOM 380 O TRP A 29 -0.712 -8.054 2.015 1.00 0.00 O ATOM 381 CB TRP A 29 -3.649 -8.963 2.961 1.00 0.00 C ATOM 382 CG TRP A 29 -4.015 -9.901 1.851 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.272 -10.183 1.397 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.115 -10.682 1.057 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.207 -11.092 0.368 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.896 -11.414 0.141 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.726 -10.834 1.031 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.331 -12.282 -0.790 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.168 -11.696 0.107 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.969 -12.411 -0.794 1.00 0.00 C ATOM 0 H TRP A 29 -4.880 -7.385 1.486 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.700 -7.070 3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.937 -9.456 3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.539 -8.747 3.553 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.183 -9.755 1.789 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.006 -11.466 -0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.100 -10.287 1.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.947 -12.834 -1.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.096 -11.821 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.502 -13.076 -1.505 1.00 0.00 H new ATOM 401 N PRO A 30 -2.111 -8.033 0.252 1.00 0.00 N ATOM 402 CA PRO A 30 -0.987 -8.303 -0.649 1.00 0.00 C ATOM 403 C PRO A 30 0.204 -7.389 -0.380 1.00 0.00 C ATOM 404 O PRO A 30 1.336 -7.702 -0.752 1.00 0.00 O ATOM 405 CB PRO A 30 -1.570 -8.027 -2.037 1.00 0.00 C ATOM 406 CG PRO A 30 -3.034 -8.260 -1.885 1.00 0.00 C ATOM 407 CD PRO A 30 -3.388 -7.916 -0.471 1.00 0.00 C ATOM 0 HA PRO A 30 -0.602 -9.315 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.363 -7.006 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.139 -8.691 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.597 -7.643 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.284 -9.298 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.799 -6.909 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.138 -8.597 -0.070 1.00 0.00 H new ATOM 415 N PHE A 31 -0.057 -6.259 0.268 1.00 0.00 N ATOM 416 CA PHE A 31 0.994 -5.299 0.586 1.00 0.00 C ATOM 417 C PHE A 31 1.232 -5.233 2.092 1.00 0.00 C ATOM 418 O PHE A 31 2.358 -5.020 2.545 1.00 0.00 O ATOM 419 CB PHE A 31 0.625 -3.912 0.056 1.00 0.00 C ATOM 420 CG PHE A 31 -0.232 -3.951 -1.178 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.611 -4.034 -1.077 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.343 -3.904 -2.438 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.401 -4.070 -2.211 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.442 -3.939 -3.575 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.816 -4.021 -3.461 1.00 0.00 C ATOM 0 H PHE A 31 -0.988 -5.985 0.583 1.00 0.00 H new ATOM 0 HA PHE A 31 1.913 -5.632 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.100 -3.361 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.539 -3.360 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.074 -4.071 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.417 -3.839 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.475 -4.136 -2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.018 -3.902 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.432 -4.047 -4.348 1.00 0.00 H new ATOM 435 N LEU A 32 0.166 -5.418 2.862 1.00 0.00 N ATOM 436 CA LEU A 32 0.258 -5.379 4.318 1.00 0.00 C ATOM 437 C LEU A 32 1.602 -5.920 4.793 1.00 0.00 C ATOM 438 O LEU A 32 2.159 -5.447 5.785 1.00 0.00 O ATOM 439 CB LEU A 32 -0.880 -6.188 4.942 1.00 0.00 C ATOM 440 CG LEU A 32 -2.233 -5.481 5.036 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.275 -6.402 5.651 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.109 -4.198 5.845 1.00 0.00 C ATOM 0 H LEU A 32 -0.772 -5.596 2.503 1.00 0.00 H new ATOM 0 HA LEU A 32 0.173 -4.340 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.010 -7.102 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.578 -6.487 5.946 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.557 -5.222 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.231 -5.882 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.384 -7.293 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.958 -6.693 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.081 -3.708 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.763 -4.434 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.394 -3.531 5.363 1.00 0.00 H new ATOM 454 N LEU A 33 2.120 -6.914 4.079 1.00 0.00 N ATOM 455 CA LEU A 33 3.401 -7.519 4.426 1.00 0.00 C ATOM 456 C LEU A 33 4.428 -7.290 3.322 1.00 0.00 C ATOM 457 O LEU A 33 4.106 -7.277 2.134 1.00 0.00 O ATOM 458 CB LEU A 33 3.228 -9.018 4.676 1.00 0.00 C ATOM 459 CG LEU A 33 2.446 -9.404 5.932 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.249 -10.910 5.996 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.161 -8.904 7.179 1.00 0.00 C ATOM 0 H LEU A 33 1.672 -7.318 3.256 1.00 0.00 H new ATOM 0 HA LEU A 33 3.764 -7.045 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.727 -9.454 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.217 -9.473 4.734 1.00 0.00 H new ATOM 0 HG LEU A 33 1.465 -8.932 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.691 -11.166 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.694 -11.242 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.221 -11.403 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.591 -9.187 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.155 -9.348 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.250 -7.818 7.137 1.00 0.00 H new ATOM 473 N PRO A 34 5.696 -7.109 3.721 1.00 0.00 N ATOM 474 CA PRO A 34 6.797 -6.881 2.780 1.00 0.00 C ATOM 475 C PRO A 34 7.129 -8.125 1.964 1.00 0.00 C ATOM 476 O PRO A 34 7.203 -9.231 2.501 1.00 0.00 O ATOM 477 CB PRO A 34 7.970 -6.510 3.691 1.00 0.00 C ATOM 478 CG PRO A 34 7.650 -7.147 4.999 1.00 0.00 C ATOM 479 CD PRO A 34 6.152 -7.113 5.121 1.00 0.00 C ATOM 0 HA PRO A 34 6.552 -6.116 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.914 -6.880 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.067 -5.429 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.021 -8.171 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.121 -6.608 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.773 -7.979 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.812 -6.227 5.657 1.00 0.00 H new ATOM 487 N VAL A 35 7.328 -7.938 0.663 1.00 0.00 N ATOM 488 CA VAL A 35 7.654 -9.045 -0.228 1.00 0.00 C ATOM 489 C VAL A 35 9.094 -9.504 -0.030 1.00 0.00 C ATOM 490 O VAL A 35 10.035 -8.815 -0.422 1.00 0.00 O ATOM 491 CB VAL A 35 7.448 -8.658 -1.704 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.320 -7.466 -2.070 1.00 0.00 C ATOM 493 CG2 VAL A 35 7.742 -9.843 -2.612 1.00 0.00 C ATOM 0 H VAL A 35 7.269 -7.030 0.203 1.00 0.00 H new ATOM 0 HA VAL A 35 6.978 -9.862 0.023 1.00 0.00 H new ATOM 0 HB VAL A 35 6.406 -8.372 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.161 -7.207 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.056 -6.616 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.368 -7.721 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.591 -9.551 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.775 -10.162 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.071 -10.666 -2.365 1.00 0.00 H new ATOM 503 N ASN A 36 9.259 -10.673 0.580 1.00 0.00 N ATOM 504 CA ASN A 36 10.585 -11.225 0.830 1.00 0.00 C ATOM 505 C ASN A 36 11.456 -11.135 -0.420 1.00 0.00 C ATOM 506 O ASN A 36 11.273 -11.893 -1.373 1.00 0.00 O ATOM 507 CB ASN A 36 10.477 -12.681 1.286 1.00 0.00 C ATOM 508 CG ASN A 36 10.266 -12.804 2.783 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.136 -12.929 3.254 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.357 -12.767 3.539 1.00 0.00 N ATOM 0 H ASN A 36 8.490 -11.257 0.910 1.00 0.00 H new ATOM 0 HA ASN A 36 11.052 -10.638 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.649 -13.162 0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.384 -13.215 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.278 -12.844 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.274 -12.662 3.106 1.00 0.00 H new ATOM 517 N LEU A 37 12.404 -10.205 -0.408 1.00 0.00 N ATOM 518 CA LEU A 37 13.305 -10.016 -1.540 1.00 0.00 C ATOM 519 C LEU A 37 14.315 -11.156 -1.629 1.00 0.00 C ATOM 520 O LEU A 37 14.765 -11.517 -2.716 1.00 0.00 O ATOM 521 CB LEU A 37 14.038 -8.679 -1.416 1.00 0.00 C ATOM 522 CG LEU A 37 13.166 -7.462 -1.106 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.025 -6.217 -0.947 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.126 -7.259 -2.198 1.00 0.00 C ATOM 0 H LEU A 37 12.569 -9.570 0.373 1.00 0.00 H new ATOM 0 HA LEU A 37 12.707 -10.013 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.790 -8.771 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.570 -8.491 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 37 12.645 -7.642 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.387 -5.361 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.731 -6.364 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.573 -6.033 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.514 -6.389 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.627 -7.101 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.490 -8.142 -2.264 1.00 0.00 H new ATOM 536 N LYS A 38 14.665 -11.720 -0.478 1.00 0.00 N ATOM 537 CA LYS A 38 15.618 -12.822 -0.424 1.00 0.00 C ATOM 538 C LYS A 38 14.980 -14.118 -0.914 1.00 0.00 C ATOM 539 O LYS A 38 15.624 -14.925 -1.585 1.00 0.00 O ATOM 540 CB LYS A 38 16.138 -13.005 1.003 1.00 0.00 C ATOM 541 CG LYS A 38 16.873 -11.790 1.543 1.00 0.00 C ATOM 542 CD LYS A 38 17.207 -11.949 3.016 1.00 0.00 C ATOM 543 CE LYS A 38 18.378 -11.066 3.421 1.00 0.00 C ATOM 544 NZ LYS A 38 18.695 -11.196 4.870 1.00 0.00 N ATOM 0 H LYS A 38 14.302 -11.432 0.431 1.00 0.00 H new ATOM 0 HA LYS A 38 16.454 -12.578 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.299 -13.233 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.807 -13.865 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.791 -11.637 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.259 -10.900 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.334 -11.696 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.447 -12.992 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.255 -11.333 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.145 -10.026 3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.498 -10.579 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.866 -10.917 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.942 -12.183 5.084 1.00 0.00 H new ATOM 558 N LEU A 39 13.710 -14.312 -0.575 1.00 0.00 N ATOM 559 CA LEU A 39 12.983 -15.509 -0.981 1.00 0.00 C ATOM 560 C LEU A 39 12.614 -15.447 -2.460 1.00 0.00 C ATOM 561 O LEU A 39 12.975 -16.329 -3.239 1.00 0.00 O ATOM 562 CB LEU A 39 11.720 -15.675 -0.135 1.00 0.00 C ATOM 563 CG LEU A 39 11.932 -15.777 1.376 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.598 -15.885 2.097 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.819 -16.968 1.710 1.00 0.00 C ATOM 0 H LEU A 39 13.162 -13.655 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 39 13.633 -16.369 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.061 -14.830 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.198 -16.571 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 39 12.432 -14.870 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.770 -15.957 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.997 -15.001 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.070 -16.775 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.960 -17.026 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.346 -17.884 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.787 -16.848 1.224 1.00 0.00 H new ATOM 577 N VAL A 40 11.893 -14.397 -2.841 1.00 0.00 N ATOM 578 CA VAL A 40 11.478 -14.217 -4.227 1.00 0.00 C ATOM 579 C VAL A 40 12.683 -14.162 -5.159 1.00 0.00 C ATOM 580 O VAL A 40 13.688 -13.510 -4.876 1.00 0.00 O ATOM 581 CB VAL A 40 10.648 -12.931 -4.402 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.219 -12.765 -5.852 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.438 -12.949 -3.479 1.00 0.00 C ATOM 0 H VAL A 40 11.584 -13.658 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 40 10.861 -15.077 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 40 11.271 -12.078 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.634 -11.851 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.102 -12.705 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.613 -13.620 -6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.863 -12.033 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.812 -13.809 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.771 -13.017 -2.443 1.00 0.00 H new ATOM 593 N PRO A 41 12.582 -14.861 -6.299 1.00 0.00 N ATOM 594 CA PRO A 41 13.654 -14.907 -7.298 1.00 0.00 C ATOM 595 C PRO A 41 13.834 -13.574 -8.016 1.00 0.00 C ATOM 596 O PRO A 41 13.345 -13.387 -9.130 1.00 0.00 O ATOM 597 CB PRO A 41 13.180 -15.983 -8.278 1.00 0.00 C ATOM 598 CG PRO A 41 11.697 -15.995 -8.140 1.00 0.00 C ATOM 599 CD PRO A 41 11.412 -15.661 -6.701 1.00 0.00 C ATOM 0 HA PRO A 41 14.623 -15.120 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.481 -15.748 -9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.608 -16.956 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.237 -15.267 -8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.289 -16.971 -8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.485 -15.098 -6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.311 -16.559 -6.092 1.00 0.00 H new ATOM 607 N GLY A 42 14.539 -12.649 -7.372 1.00 0.00 N ATOM 608 CA GLY A 42 14.770 -11.345 -7.965 1.00 0.00 C ATOM 609 C GLY A 42 13.511 -10.504 -8.026 1.00 0.00 C ATOM 610 O GLY A 42 12.810 -10.496 -9.038 1.00 0.00 O ATOM 0 H GLY A 42 14.954 -12.780 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.529 -10.816 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.167 -11.473 -8.972 1.00 0.00 H new ATOM 614 N TYR A 43 13.222 -9.795 -6.941 1.00 0.00 N ATOM 615 CA TYR A 43 12.036 -8.949 -6.874 1.00 0.00 C ATOM 616 C TYR A 43 12.401 -7.482 -7.075 1.00 0.00 C ATOM 617 O TYR A 43 11.765 -6.771 -7.853 1.00 0.00 O ATOM 618 CB TYR A 43 11.330 -9.131 -5.529 1.00 0.00 C ATOM 619 CG TYR A 43 10.025 -8.375 -5.424 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.995 -7.060 -4.976 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.821 -8.977 -5.770 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.805 -6.366 -4.878 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.626 -8.290 -5.676 1.00 0.00 C ATOM 624 CZ TYR A 43 7.623 -6.985 -5.229 1.00 0.00 C ATOM 625 OH TYR A 43 6.435 -6.297 -5.133 1.00 0.00 O ATOM 0 H TYR A 43 13.793 -9.789 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 43 11.361 -9.249 -7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.140 -10.192 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.996 -8.803 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.918 -6.572 -4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.820 -9.999 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.800 -5.344 -4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.699 -8.772 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 43 5.698 -6.876 -5.419 1.00 0.00 H new ATOM 635 N LYS A 44 13.433 -7.033 -6.367 1.00 0.00 N ATOM 636 CA LYS A 44 13.887 -5.651 -6.466 1.00 0.00 C ATOM 637 C LYS A 44 14.160 -5.272 -7.918 1.00 0.00 C ATOM 638 O LYS A 44 13.591 -4.312 -8.438 1.00 0.00 O ATOM 639 CB LYS A 44 15.150 -5.446 -5.628 1.00 0.00 C ATOM 640 CG LYS A 44 14.927 -5.630 -4.137 1.00 0.00 C ATOM 641 CD LYS A 44 16.228 -5.929 -3.411 1.00 0.00 C ATOM 642 CE LYS A 44 17.085 -4.680 -3.265 1.00 0.00 C ATOM 643 NZ LYS A 44 18.497 -5.013 -2.931 1.00 0.00 N ATOM 0 H LYS A 44 13.971 -7.607 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 44 13.096 -5.006 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.915 -6.147 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.537 -4.443 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.476 -4.729 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.222 -6.444 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.010 -6.339 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.784 -6.691 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.056 -4.109 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.668 -4.042 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.048 -4.136 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.527 -5.536 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.903 -5.600 -3.687 1.00 0.00 H new ATOM 657 N LYS A 45 15.034 -6.032 -8.569 1.00 0.00 N ATOM 658 CA LYS A 45 15.381 -5.778 -9.962 1.00 0.00 C ATOM 659 C LYS A 45 14.172 -5.270 -10.741 1.00 0.00 C ATOM 660 O LYS A 45 14.238 -4.236 -11.405 1.00 0.00 O ATOM 661 CB LYS A 45 15.923 -7.052 -10.615 1.00 0.00 C ATOM 662 CG LYS A 45 17.219 -7.547 -9.997 1.00 0.00 C ATOM 663 CD LYS A 45 16.959 -8.525 -8.864 1.00 0.00 C ATOM 664 CE LYS A 45 18.062 -9.568 -8.763 1.00 0.00 C ATOM 665 NZ LYS A 45 19.224 -9.072 -7.975 1.00 0.00 N ATOM 0 H LYS A 45 15.515 -6.830 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 45 16.153 -5.009 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.171 -7.837 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.084 -6.866 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.827 -8.029 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.792 -6.699 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.884 -7.981 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.001 -9.021 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.667 -10.471 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.393 -9.844 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.954 -9.812 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.618 -8.225 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.913 -8.832 -7.012 1.00 0.00 H new ATOM 679 N VAL A 46 13.067 -6.004 -10.653 1.00 0.00 N ATOM 680 CA VAL A 46 11.842 -5.627 -11.347 1.00 0.00 C ATOM 681 C VAL A 46 11.168 -4.440 -10.668 1.00 0.00 C ATOM 682 O VAL A 46 10.651 -3.542 -11.333 1.00 0.00 O ATOM 683 CB VAL A 46 10.847 -6.801 -11.409 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.620 -6.419 -12.223 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.518 -8.037 -11.989 1.00 0.00 C ATOM 0 H VAL A 46 12.996 -6.863 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 46 12.127 -5.348 -12.361 1.00 0.00 H new ATOM 0 HB VAL A 46 10.522 -7.034 -10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.928 -7.261 -12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.128 -5.563 -11.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.923 -6.159 -13.237 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.801 -8.857 -12.026 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.872 -7.820 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.362 -8.321 -11.361 1.00 0.00 H new ATOM 695 N ILE A 47 11.179 -4.442 -9.339 1.00 0.00 N ATOM 696 CA ILE A 47 10.570 -3.364 -8.569 1.00 0.00 C ATOM 697 C ILE A 47 11.620 -2.362 -8.101 1.00 0.00 C ATOM 698 O ILE A 47 12.338 -2.605 -7.130 1.00 0.00 O ATOM 699 CB ILE A 47 9.812 -3.907 -7.343 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.680 -4.835 -7.786 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.267 -2.759 -6.507 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.683 -4.174 -8.712 1.00 0.00 C ATOM 0 H ILE A 47 11.603 -5.178 -8.773 1.00 0.00 H new ATOM 0 HA ILE A 47 9.863 -2.863 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 47 10.507 -4.480 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.108 -5.703 -8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.156 -5.202 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.734 -3.158 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.092 -2.133 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.584 -2.161 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.909 -4.891 -8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.227 -3.322 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.194 -3.831 -9.612 1.00 0.00 H new ATOM 714 N LYS A 48 11.704 -1.233 -8.797 1.00 0.00 N ATOM 715 CA LYS A 48 12.664 -0.191 -8.453 1.00 0.00 C ATOM 716 C LYS A 48 12.509 0.231 -6.995 1.00 0.00 C ATOM 717 O LYS A 48 13.490 0.329 -6.258 1.00 0.00 O ATOM 718 CB LYS A 48 12.482 1.021 -9.368 1.00 0.00 C ATOM 719 CG LYS A 48 12.738 0.720 -10.835 1.00 0.00 C ATOM 720 CD LYS A 48 14.211 0.461 -11.102 1.00 0.00 C ATOM 721 CE LYS A 48 14.491 0.314 -12.589 1.00 0.00 C ATOM 722 NZ LYS A 48 14.529 1.633 -13.279 1.00 0.00 N ATOM 0 H LYS A 48 11.118 -1.016 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 48 13.667 -0.595 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.467 1.401 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.157 1.814 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.154 -0.150 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.399 1.558 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.805 1.281 -10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.522 -0.444 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.443 -0.197 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.723 -0.312 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.722 1.490 -14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.612 2.111 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.279 2.221 -12.863 1.00 0.00 H new ATOM 736 N LYS A 49 11.270 0.479 -6.584 1.00 0.00 N ATOM 737 CA LYS A 49 10.985 0.888 -5.214 1.00 0.00 C ATOM 738 C LYS A 49 9.879 0.029 -4.609 1.00 0.00 C ATOM 739 O LYS A 49 8.697 0.369 -4.660 1.00 0.00 O ATOM 740 CB LYS A 49 10.579 2.363 -5.174 1.00 0.00 C ATOM 741 CG LYS A 49 11.760 3.318 -5.152 1.00 0.00 C ATOM 742 CD LYS A 49 11.306 4.767 -5.206 1.00 0.00 C ATOM 743 CE LYS A 49 10.930 5.285 -3.826 1.00 0.00 C ATOM 744 NZ LYS A 49 12.129 5.514 -2.974 1.00 0.00 N ATOM 0 H LYS A 49 10.446 0.404 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 49 11.891 0.751 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.959 2.584 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.964 2.538 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.346 3.153 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.414 3.109 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.102 5.384 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.450 4.857 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.373 6.217 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.269 4.570 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.865 6.095 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.502 4.600 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.859 6.007 -3.527 1.00 0.00 H new ATOM 758 N PRO A 50 10.269 -1.112 -4.020 1.00 0.00 N ATOM 759 CA PRO A 50 9.326 -2.041 -3.392 1.00 0.00 C ATOM 760 C PRO A 50 8.718 -1.474 -2.114 1.00 0.00 C ATOM 761 O PRO A 50 9.287 -1.612 -1.031 1.00 0.00 O ATOM 762 CB PRO A 50 10.191 -3.264 -3.076 1.00 0.00 C ATOM 763 CG PRO A 50 11.575 -2.728 -2.954 1.00 0.00 C ATOM 764 CD PRO A 50 11.662 -1.581 -3.922 1.00 0.00 C ATOM 0 HA PRO A 50 8.476 -2.258 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.871 -3.747 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.124 -4.011 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.776 -2.395 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.313 -3.495 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.325 -0.797 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.048 -1.900 -4.890 1.00 0.00 H new ATOM 772 N MET A 51 7.559 -0.838 -2.247 1.00 0.00 N ATOM 773 CA MET A 51 6.874 -0.252 -1.101 1.00 0.00 C ATOM 774 C MET A 51 5.892 -1.246 -0.488 1.00 0.00 C ATOM 775 O MET A 51 5.572 -2.269 -1.092 1.00 0.00 O ATOM 776 CB MET A 51 6.135 1.021 -1.518 1.00 0.00 C ATOM 777 CG MET A 51 5.614 1.834 -0.343 1.00 0.00 C ATOM 778 SD MET A 51 6.888 2.169 0.889 1.00 0.00 S ATOM 779 CE MET A 51 8.130 2.976 -0.119 1.00 0.00 C ATOM 0 H MET A 51 7.075 -0.715 -3.136 1.00 0.00 H new ATOM 0 HA MET A 51 7.624 0.001 -0.351 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.806 1.643 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.298 0.751 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.211 2.778 -0.710 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.790 1.298 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.872 3.447 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.619 2.238 -0.755 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.656 3.735 -0.742 1.00 0.00 H new ATOM 789 N ASP A 52 5.418 -0.937 0.715 1.00 0.00 N ATOM 790 CA ASP A 52 4.473 -1.804 1.409 1.00 0.00 C ATOM 791 C ASP A 52 3.768 -1.049 2.532 1.00 0.00 C ATOM 792 O ASP A 52 4.388 -0.267 3.253 1.00 0.00 O ATOM 793 CB ASP A 52 5.191 -3.030 1.974 1.00 0.00 C ATOM 794 CG ASP A 52 6.562 -2.694 2.527 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.426 -2.250 1.742 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.772 -2.875 3.745 1.00 0.00 O ATOM 0 H ASP A 52 5.673 -0.093 1.229 1.00 0.00 H new ATOM 0 HA ASP A 52 3.723 -2.133 0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.583 -3.472 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.292 -3.781 1.191 1.00 0.00 H new ATOM 801 N PHE A 53 2.469 -1.288 2.674 1.00 0.00 N ATOM 802 CA PHE A 53 1.679 -0.629 3.708 1.00 0.00 C ATOM 803 C PHE A 53 2.389 -0.691 5.057 1.00 0.00 C ATOM 804 O PHE A 53 2.406 0.285 5.807 1.00 0.00 O ATOM 805 CB PHE A 53 0.298 -1.280 3.816 1.00 0.00 C ATOM 806 CG PHE A 53 -0.628 -0.911 2.692 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.745 0.405 2.276 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.381 -1.882 2.051 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.596 0.746 1.243 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.234 -1.547 1.017 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.341 -0.231 0.611 1.00 0.00 C ATOM 0 H PHE A 53 1.941 -1.933 2.086 1.00 0.00 H new ATOM 0 HA PHE A 53 1.560 0.418 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.416 -2.363 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.159 -0.990 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.164 1.173 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.300 -2.913 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.679 1.776 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.816 -2.313 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.005 0.034 -0.198 1.00 0.00 H new ATOM 821 N SER A 54 2.976 -1.845 5.358 1.00 0.00 N ATOM 822 CA SER A 54 3.684 -2.036 6.618 1.00 0.00 C ATOM 823 C SER A 54 4.698 -0.919 6.846 1.00 0.00 C ATOM 824 O SER A 54 4.844 -0.414 7.960 1.00 0.00 O ATOM 825 CB SER A 54 4.392 -3.392 6.629 1.00 0.00 C ATOM 826 OG SER A 54 5.059 -3.630 5.402 1.00 0.00 O ATOM 0 H SER A 54 2.975 -2.661 4.747 1.00 0.00 H new ATOM 0 HA SER A 54 2.952 -2.009 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.110 -3.424 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.665 -4.184 6.811 1.00 0.00 H new ATOM 0 HG SER A 54 5.794 -2.990 5.300 1.00 0.00 H new ATOM 832 N THR A 55 5.398 -0.538 5.782 1.00 0.00 N ATOM 833 CA THR A 55 6.400 0.518 5.864 1.00 0.00 C ATOM 834 C THR A 55 5.752 1.897 5.802 1.00 0.00 C ATOM 835 O THR A 55 5.935 2.720 6.700 1.00 0.00 O ATOM 836 CB THR A 55 7.436 0.399 4.731 1.00 0.00 C ATOM 837 OG1 THR A 55 8.134 -0.847 4.835 1.00 0.00 O ATOM 838 CG2 THR A 55 8.431 1.549 4.784 1.00 0.00 C ATOM 0 H THR A 55 5.289 -0.945 4.853 1.00 0.00 H new ATOM 0 HA THR A 55 6.906 0.400 6.822 1.00 0.00 H new ATOM 0 HB THR A 55 6.907 0.441 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.520 -1.584 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.153 1.443 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.900 2.495 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.954 1.534 5.740 1.00 0.00 H new ATOM 846 N ILE A 56 4.995 2.142 4.738 1.00 0.00 N ATOM 847 CA ILE A 56 4.318 3.421 4.561 1.00 0.00 C ATOM 848 C ILE A 56 3.805 3.960 5.892 1.00 0.00 C ATOM 849 O ILE A 56 3.849 5.165 6.143 1.00 0.00 O ATOM 850 CB ILE A 56 3.138 3.302 3.579 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.627 2.805 2.217 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.430 4.641 3.437 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.536 2.731 1.172 1.00 0.00 C ATOM 0 H ILE A 56 4.835 1.472 3.986 1.00 0.00 H new ATOM 0 HA ILE A 56 5.053 4.113 4.150 1.00 0.00 H new ATOM 0 HB ILE A 56 2.427 2.577 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.416 3.467 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.070 1.817 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.598 4.541 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.052 4.958 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.132 5.385 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.956 2.371 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.757 2.046 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.108 3.722 1.022 1.00 0.00 H new ATOM 865 N ARG A 57 3.321 3.061 6.741 1.00 0.00 N ATOM 866 CA ARG A 57 2.800 3.446 8.047 1.00 0.00 C ATOM 867 C ARG A 57 3.895 4.071 8.907 1.00 0.00 C ATOM 868 O ARG A 57 3.795 5.230 9.309 1.00 0.00 O ATOM 869 CB ARG A 57 2.207 2.231 8.763 1.00 0.00 C ATOM 870 CG ARG A 57 1.632 2.551 10.133 1.00 0.00 C ATOM 871 CD ARG A 57 0.294 3.267 10.023 1.00 0.00 C ATOM 872 NE ARG A 57 -0.820 2.329 9.916 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.310 1.650 10.948 1.00 0.00 C ATOM 874 NH1 ARG A 57 -0.787 1.804 12.156 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.327 0.816 10.771 1.00 0.00 N ATOM 0 H ARG A 57 3.279 2.060 6.548 1.00 0.00 H new ATOM 0 HA ARG A 57 2.015 4.187 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.422 1.801 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.981 1.471 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.507 1.629 10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.334 3.174 10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.150 3.903 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.303 3.921 9.151 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.245 2.187 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.006 2.445 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.165 1.281 12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.733 0.696 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.703 0.295 11.563 1.00 0.00 H new ATOM 889 N GLU A 58 4.938 3.295 9.183 1.00 0.00 N ATOM 890 CA GLU A 58 6.051 3.773 9.996 1.00 0.00 C ATOM 891 C GLU A 58 6.562 5.116 9.482 1.00 0.00 C ATOM 892 O GLU A 58 6.999 5.966 10.259 1.00 0.00 O ATOM 893 CB GLU A 58 7.188 2.749 9.997 1.00 0.00 C ATOM 894 CG GLU A 58 6.801 1.411 10.603 1.00 0.00 C ATOM 895 CD GLU A 58 6.916 1.400 12.115 1.00 0.00 C ATOM 896 OE1 GLU A 58 6.858 2.490 12.721 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.065 0.302 12.691 1.00 0.00 O ATOM 0 H GLU A 58 5.036 2.334 8.856 1.00 0.00 H new ATOM 0 HA GLU A 58 5.691 3.906 11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.524 2.591 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.034 3.158 10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.777 1.170 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.439 0.630 10.188 1.00 0.00 H new ATOM 904 N LYS A 59 6.504 5.301 8.168 1.00 0.00 N ATOM 905 CA LYS A 59 6.960 6.540 7.548 1.00 0.00 C ATOM 906 C LYS A 59 5.947 7.660 7.763 1.00 0.00 C ATOM 907 O LYS A 59 6.314 8.785 8.107 1.00 0.00 O ATOM 908 CB LYS A 59 7.194 6.329 6.051 1.00 0.00 C ATOM 909 CG LYS A 59 8.382 5.435 5.740 1.00 0.00 C ATOM 910 CD LYS A 59 8.401 5.021 4.278 1.00 0.00 C ATOM 911 CE LYS A 59 8.812 6.176 3.378 1.00 0.00 C ATOM 912 NZ LYS A 59 8.404 5.949 1.964 1.00 0.00 N ATOM 0 H LYS A 59 6.145 4.608 7.511 1.00 0.00 H new ATOM 0 HA LYS A 59 7.900 6.829 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.297 5.894 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.345 7.298 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.306 5.959 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.345 4.546 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.092 4.189 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.413 4.665 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.361 7.099 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.893 6.308 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.252 5.843 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.828 5.085 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.847 6.761 1.629 1.00 0.00 H new ATOM 926 N LEU A 60 4.673 7.346 7.558 1.00 0.00 N ATOM 927 CA LEU A 60 3.606 8.326 7.731 1.00 0.00 C ATOM 928 C LEU A 60 3.663 8.954 9.120 1.00 0.00 C ATOM 929 O LEU A 60 3.844 10.164 9.258 1.00 0.00 O ATOM 930 CB LEU A 60 2.242 7.669 7.512 1.00 0.00 C ATOM 931 CG LEU A 60 1.156 8.562 6.910 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.196 7.869 6.967 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.103 9.899 7.635 1.00 0.00 C ATOM 0 H LEU A 60 4.353 6.421 7.272 1.00 0.00 H new ATOM 0 HA LEU A 60 3.746 9.113 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.377 6.806 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.885 7.292 8.470 1.00 0.00 H new ATOM 0 HG LEU A 60 1.403 8.748 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.957 8.519 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.151 6.937 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.451 7.653 8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.325 10.522 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.880 9.733 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.066 10.402 7.542 1.00 0.00 H new ATOM 945 N SER A 61 3.511 8.123 10.146 1.00 0.00 N ATOM 946 CA SER A 61 3.543 8.597 11.525 1.00 0.00 C ATOM 947 C SER A 61 4.863 9.301 11.826 1.00 0.00 C ATOM 948 O SER A 61 4.885 10.358 12.456 1.00 0.00 O ATOM 949 CB SER A 61 3.343 7.429 12.493 1.00 0.00 C ATOM 950 OG SER A 61 2.778 7.871 13.715 1.00 0.00 O ATOM 0 H SER A 61 3.364 7.118 10.049 1.00 0.00 H new ATOM 0 HA SER A 61 2.731 9.312 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.693 6.682 12.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.300 6.944 12.685 1.00 0.00 H new ATOM 0 HG SER A 61 2.659 7.106 14.316 1.00 0.00 H new ATOM 956 N SER A 62 5.961 8.706 11.372 1.00 0.00 N ATOM 957 CA SER A 62 7.286 9.273 11.595 1.00 0.00 C ATOM 958 C SER A 62 7.401 10.654 10.956 1.00 0.00 C ATOM 959 O SER A 62 8.356 11.388 11.205 1.00 0.00 O ATOM 960 CB SER A 62 8.363 8.345 11.029 1.00 0.00 C ATOM 961 OG SER A 62 8.665 7.301 11.939 1.00 0.00 O ATOM 0 H SER A 62 5.960 7.831 10.847 1.00 0.00 H new ATOM 0 HA SER A 62 7.434 9.376 12.670 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.023 7.921 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.265 8.918 10.815 1.00 0.00 H new ATOM 0 HG SER A 62 8.192 6.486 11.670 1.00 0.00 H new ATOM 967 N GLY A 63 6.419 11.000 10.129 1.00 0.00 N ATOM 968 CA GLY A 63 6.428 12.291 9.466 1.00 0.00 C ATOM 969 C GLY A 63 7.442 12.358 8.341 1.00 0.00 C ATOM 970 O GLY A 63 8.158 13.349 8.202 1.00 0.00 O ATOM 0 H GLY A 63 5.618 10.409 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.435 12.499 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.648 13.070 10.196 1.00 0.00 H new ATOM 974 N GLN A 64 7.504 11.300 7.538 1.00 0.00 N ATOM 975 CA GLN A 64 8.440 11.243 6.422 1.00 0.00 C ATOM 976 C GLN A 64 7.863 11.935 5.192 1.00 0.00 C ATOM 977 O GLN A 64 8.564 12.154 4.204 1.00 0.00 O ATOM 978 CB GLN A 64 8.783 9.790 6.090 1.00 0.00 C ATOM 979 CG GLN A 64 9.506 9.064 7.213 1.00 0.00 C ATOM 980 CD GLN A 64 11.011 9.230 7.142 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.517 10.338 6.961 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.736 8.127 7.284 1.00 0.00 N ATOM 0 H GLN A 64 6.917 10.472 7.640 1.00 0.00 H new ATOM 0 HA GLN A 64 9.350 11.765 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.864 9.253 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.404 9.767 5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.148 9.438 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.259 8.003 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.275 7.229 7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.754 8.177 7.245 1.00 0.00 H new ATOM 991 N TYR A 65 6.581 12.277 5.258 1.00 0.00 N ATOM 992 CA TYR A 65 5.909 12.943 4.148 1.00 0.00 C ATOM 993 C TYR A 65 5.634 14.407 4.476 1.00 0.00 C ATOM 994 O TYR A 65 4.914 14.734 5.420 1.00 0.00 O ATOM 995 CB TYR A 65 4.597 12.228 3.817 1.00 0.00 C ATOM 996 CG TYR A 65 4.762 10.746 3.568 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.467 10.282 2.464 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.211 9.810 4.434 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.619 8.928 2.231 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.360 8.455 4.210 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.064 8.019 3.107 1.00 0.00 C ATOM 1002 OH TYR A 65 5.213 6.670 2.880 1.00 0.00 O ATOM 0 H TYR A 65 5.986 12.104 6.068 1.00 0.00 H new ATOM 0 HA TYR A 65 6.568 12.902 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.896 12.374 4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.154 12.689 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.904 10.991 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.657 10.147 5.297 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.169 8.584 1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.927 7.741 4.895 1.00 0.00 H new ATOM 0 HH TYR A 65 5.932 6.320 3.447 1.00 0.00 H new ATOM 1012 N PRO A 66 6.221 15.311 3.678 1.00 0.00 N ATOM 1013 CA PRO A 66 6.055 16.756 3.862 1.00 0.00 C ATOM 1014 C PRO A 66 4.644 17.225 3.520 1.00 0.00 C ATOM 1015 O PRO A 66 4.152 18.202 4.083 1.00 0.00 O ATOM 1016 CB PRO A 66 7.069 17.357 2.886 1.00 0.00 C ATOM 1017 CG PRO A 66 7.248 16.315 1.836 1.00 0.00 C ATOM 1018 CD PRO A 66 7.092 14.992 2.534 1.00 0.00 C ATOM 0 HA PRO A 66 6.211 17.056 4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.702 18.290 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.012 17.583 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.508 16.428 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.229 16.396 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.641 14.244 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.053 14.593 2.859 1.00 0.00 H new ATOM 1026 N ASN A 67 4.000 16.521 2.595 1.00 0.00 N ATOM 1027 CA ASN A 67 2.645 16.866 2.179 1.00 0.00 C ATOM 1028 C ASN A 67 1.871 15.621 1.757 1.00 0.00 C ATOM 1029 O ASN A 67 2.376 14.501 1.852 1.00 0.00 O ATOM 1030 CB ASN A 67 2.684 17.871 1.025 1.00 0.00 C ATOM 1031 CG ASN A 67 3.730 17.517 -0.014 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.454 16.787 -0.966 1.00 0.00 O ATOM 1033 ND2 ASN A 67 4.940 18.034 0.165 1.00 0.00 N ATOM 0 H ASN A 67 4.394 15.709 2.120 1.00 0.00 H new ATOM 0 HA ASN A 67 2.135 17.318 3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.704 17.913 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.890 18.866 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.685 17.831 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.124 18.634 0.969 1.00 0.00 H new ATOM 1040 N LEU A 68 0.644 15.823 1.292 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.200 14.717 0.855 1.00 0.00 C ATOM 1042 C LEU A 68 0.329 14.106 -0.439 1.00 0.00 C ATOM 1043 O LEU A 68 0.454 12.887 -0.555 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.639 15.195 0.654 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.314 15.822 1.875 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.586 16.549 1.467 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.616 14.760 2.922 1.00 0.00 C ATOM 0 H LEU A 68 0.211 16.743 1.208 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.183 13.952 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.649 15.924 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.240 14.347 0.327 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.629 16.549 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.053 16.989 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.342 17.337 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.276 15.843 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.096 15.224 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.282 14.009 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.687 14.285 3.237 1.00 0.00 H new ATOM 1059 N GLU A 69 0.640 14.961 -1.408 1.00 0.00 N ATOM 1060 CA GLU A 69 1.157 14.505 -2.692 1.00 0.00 C ATOM 1061 C GLU A 69 2.178 13.387 -2.501 1.00 0.00 C ATOM 1062 O GLU A 69 2.073 12.323 -3.112 1.00 0.00 O ATOM 1063 CB GLU A 69 1.795 15.669 -3.453 1.00 0.00 C ATOM 1064 CG GLU A 69 2.102 15.351 -4.907 1.00 0.00 C ATOM 1065 CD GLU A 69 3.248 16.178 -5.456 1.00 0.00 C ATOM 1066 OE1 GLU A 69 3.167 17.422 -5.388 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.225 15.581 -5.954 1.00 0.00 O ATOM 0 H GLU A 69 0.543 15.973 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 69 0.321 14.115 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.127 16.529 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.718 15.958 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.346 14.293 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.211 15.527 -5.509 1.00 0.00 H new ATOM 1074 N THR A 70 3.167 13.636 -1.649 1.00 0.00 N ATOM 1075 CA THR A 70 4.208 12.653 -1.378 1.00 0.00 C ATOM 1076 C THR A 70 3.618 11.372 -0.799 1.00 0.00 C ATOM 1077 O THR A 70 3.983 10.269 -1.206 1.00 0.00 O ATOM 1078 CB THR A 70 5.262 13.206 -0.400 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.631 14.027 0.588 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.316 14.015 -1.141 1.00 0.00 C ATOM 0 H THR A 70 3.269 14.511 -1.134 1.00 0.00 H new ATOM 0 HA THR A 70 4.688 12.431 -2.331 1.00 0.00 H new ATOM 0 HB THR A 70 5.750 12.362 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.717 13.709 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.049 14.395 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.815 13.379 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.840 14.851 -1.653 1.00 0.00 H new ATOM 1088 N PHE A 71 2.702 11.525 0.152 1.00 0.00 N ATOM 1089 CA PHE A 71 2.061 10.379 0.787 1.00 0.00 C ATOM 1090 C PHE A 71 1.309 9.538 -0.241 1.00 0.00 C ATOM 1091 O PHE A 71 1.357 8.309 -0.208 1.00 0.00 O ATOM 1092 CB PHE A 71 1.100 10.848 1.881 1.00 0.00 C ATOM 1093 CG PHE A 71 0.207 9.758 2.402 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.640 8.911 3.410 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.065 9.580 1.883 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.179 7.908 3.891 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.889 8.578 2.361 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.445 7.740 3.365 1.00 0.00 C ATOM 0 H PHE A 71 2.387 12.431 0.500 1.00 0.00 H new ATOM 0 HA PHE A 71 2.839 9.761 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.677 11.260 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.483 11.656 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.629 9.037 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.417 10.231 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.170 7.256 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.879 8.451 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.086 6.955 3.738 1.00 0.00 H new ATOM 1108 N ALA A 72 0.613 10.211 -1.152 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.148 9.528 -2.189 1.00 0.00 C ATOM 1110 C ALA A 72 0.776 8.807 -3.165 1.00 0.00 C ATOM 1111 O ALA A 72 0.530 7.659 -3.537 1.00 0.00 O ATOM 1112 CB ALA A 72 -1.035 10.517 -2.932 1.00 0.00 C ATOM 0 H ALA A 72 0.561 11.229 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.779 8.781 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.598 9.992 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.728 10.982 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.415 11.286 -3.394 1.00 0.00 H new ATOM 1118 N LEU A 73 1.841 9.488 -3.575 1.00 0.00 N ATOM 1119 CA LEU A 73 2.803 8.913 -4.509 1.00 0.00 C ATOM 1120 C LEU A 73 3.187 7.497 -4.092 1.00 0.00 C ATOM 1121 O LEU A 73 3.161 6.571 -4.903 1.00 0.00 O ATOM 1122 CB LEU A 73 4.053 9.791 -4.588 1.00 0.00 C ATOM 1123 CG LEU A 73 3.927 11.066 -5.422 1.00 0.00 C ATOM 1124 CD1 LEU A 73 4.940 12.105 -4.966 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.107 10.756 -6.901 1.00 0.00 C ATOM 0 H LEU A 73 2.060 10.438 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 73 2.336 8.868 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.340 10.071 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.867 9.193 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 73 2.927 11.475 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.835 13.005 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.764 12.349 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.948 11.706 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.014 11.675 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.094 10.323 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.342 10.048 -7.220 1.00 0.00 H new ATOM 1137 N ASP A 74 3.542 7.336 -2.822 1.00 0.00 N ATOM 1138 CA ASP A 74 3.928 6.032 -2.295 1.00 0.00 C ATOM 1139 C ASP A 74 2.778 5.037 -2.409 1.00 0.00 C ATOM 1140 O ASP A 74 2.952 3.925 -2.907 1.00 0.00 O ATOM 1141 CB ASP A 74 4.368 6.158 -0.835 1.00 0.00 C ATOM 1142 CG ASP A 74 5.624 6.991 -0.678 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.530 8.232 -0.787 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.702 6.403 -0.448 1.00 0.00 O ATOM 0 H ASP A 74 3.571 8.092 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 74 4.764 5.661 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.563 6.607 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.542 5.164 -0.424 1.00 0.00 H new ATOM 1149 N VAL A 75 1.601 5.445 -1.944 1.00 0.00 N ATOM 1150 CA VAL A 75 0.421 4.590 -1.994 1.00 0.00 C ATOM 1151 C VAL A 75 0.166 4.088 -3.410 1.00 0.00 C ATOM 1152 O VAL A 75 0.086 2.882 -3.648 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.831 5.331 -1.490 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.047 4.418 -1.535 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.605 5.862 -0.082 1.00 0.00 C ATOM 0 H VAL A 75 1.440 6.362 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 75 0.618 3.740 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.019 6.179 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.922 4.959 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.219 4.091 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.873 3.548 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.500 6.383 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.391 5.031 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.238 6.553 -0.085 1.00 0.00 H new ATOM 1165 N ARG A 76 0.039 5.020 -4.349 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.208 4.673 -5.743 1.00 0.00 C ATOM 1167 C ARG A 76 0.877 3.739 -6.271 1.00 0.00 C ATOM 1168 O ARG A 76 0.595 2.803 -7.021 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.271 5.937 -6.602 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.249 6.978 -6.083 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.033 8.327 -6.751 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.927 9.351 -6.218 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.207 10.485 -6.852 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.665 10.738 -8.035 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -3.031 11.368 -6.302 1.00 0.00 N ATOM 0 H ARG A 76 0.103 6.022 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.166 4.157 -5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.724 6.380 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.552 5.662 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.270 6.641 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.133 7.082 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.002 8.640 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.193 8.230 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.360 9.187 -5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.031 10.062 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.882 11.609 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.450 11.177 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.245 12.238 -6.789 1.00 0.00 H new ATOM 1189 N LEU A 77 2.118 3.999 -5.876 1.00 0.00 N ATOM 1190 CA LEU A 77 3.246 3.183 -6.309 1.00 0.00 C ATOM 1191 C LEU A 77 3.075 1.735 -5.860 1.00 0.00 C ATOM 1192 O LEU A 77 3.534 0.808 -6.527 1.00 0.00 O ATOM 1193 CB LEU A 77 4.554 3.750 -5.755 1.00 0.00 C ATOM 1194 CG LEU A 77 5.809 2.915 -6.011 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.264 3.062 -7.454 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.923 3.319 -5.055 1.00 0.00 C ATOM 0 H LEU A 77 2.369 4.769 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 77 3.281 3.204 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.707 4.741 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.443 3.882 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 77 5.567 1.867 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.158 2.460 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.472 2.723 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.488 4.109 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.808 2.714 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.163 4.372 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.596 3.160 -4.027 1.00 0.00 H new ATOM 1208 N VAL A 78 2.411 1.548 -4.724 1.00 0.00 N ATOM 1209 CA VAL A 78 2.176 0.214 -4.186 1.00 0.00 C ATOM 1210 C VAL A 78 1.390 -0.645 -5.171 1.00 0.00 C ATOM 1211 O VAL A 78 1.825 -1.735 -5.545 1.00 0.00 O ATOM 1212 CB VAL A 78 1.411 0.273 -2.850 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.061 -1.128 -2.372 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.227 1.015 -1.802 1.00 0.00 C ATOM 0 H VAL A 78 2.026 2.304 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 78 3.155 -0.235 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 78 0.481 0.819 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.521 -1.066 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.435 -1.620 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.976 -1.703 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.672 1.047 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.174 0.498 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.421 2.032 -2.144 1.00 0.00 H new ATOM 1224 N PHE A 79 0.231 -0.147 -5.587 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.617 -0.869 -6.529 1.00 0.00 C ATOM 1226 C PHE A 79 -0.007 -0.859 -7.928 1.00 0.00 C ATOM 1227 O PHE A 79 -0.401 -1.641 -8.794 1.00 0.00 O ATOM 1228 CB PHE A 79 -2.016 -0.251 -6.566 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.493 0.233 -5.227 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.395 -0.577 -4.107 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.038 1.499 -5.087 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.834 -0.134 -2.874 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.479 1.948 -3.856 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.375 1.130 -2.748 1.00 0.00 C ATOM 0 H PHE A 79 -0.143 0.753 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.693 -1.903 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.017 0.584 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.721 -0.989 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.971 -1.566 -4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.119 2.143 -5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.754 -0.776 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.904 2.936 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.716 1.479 -1.784 1.00 0.00 H new ATOM 1244 N ASP A 80 0.955 0.032 -8.141 1.00 0.00 N ATOM 1245 CA ASP A 80 1.620 0.144 -9.434 1.00 0.00 C ATOM 1246 C ASP A 80 2.717 -0.907 -9.574 1.00 0.00 C ATOM 1247 O ASP A 80 2.868 -1.524 -10.627 1.00 0.00 O ATOM 1248 CB ASP A 80 2.213 1.544 -9.606 1.00 0.00 C ATOM 1249 CG ASP A 80 2.825 1.748 -10.978 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.030 1.459 -11.139 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.100 2.196 -11.890 1.00 0.00 O ATOM 0 H ASP A 80 1.292 0.687 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 80 0.877 -0.026 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.433 2.288 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.974 1.709 -8.843 1.00 0.00 H new ATOM 1256 N ASN A 81 3.481 -1.105 -8.504 1.00 0.00 N ATOM 1257 CA ASN A 81 4.565 -2.080 -8.508 1.00 0.00 C ATOM 1258 C ASN A 81 4.016 -3.504 -8.518 1.00 0.00 C ATOM 1259 O ASN A 81 4.569 -4.389 -9.172 1.00 0.00 O ATOM 1260 CB ASN A 81 5.466 -1.878 -7.288 1.00 0.00 C ATOM 1261 CG ASN A 81 6.518 -0.810 -7.518 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.668 -0.299 -8.627 1.00 0.00 O ATOM 1263 ND2 ASN A 81 7.255 -0.470 -6.466 1.00 0.00 N ATOM 0 H ASN A 81 3.369 -0.603 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 81 5.152 -1.929 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.854 -1.603 -6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.956 -2.820 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.980 0.241 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.096 -0.920 -5.565 1.00 0.00 H new ATOM 1270 N CYS A 82 2.925 -3.716 -7.791 1.00 0.00 N ATOM 1271 CA CYS A 82 2.300 -5.032 -7.716 1.00 0.00 C ATOM 1272 C CYS A 82 1.751 -5.452 -9.075 1.00 0.00 C ATOM 1273 O CYS A 82 1.842 -6.617 -9.459 1.00 0.00 O ATOM 1274 CB CYS A 82 1.177 -5.028 -6.677 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.420 -4.477 -7.320 1.00 0.00 S ATOM 0 H CYS A 82 2.455 -2.994 -7.245 1.00 0.00 H new ATOM 0 HA CYS A 82 3.061 -5.752 -7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.066 -6.034 -6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.466 -4.382 -5.848 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.259 -3.381 -8.001 1.00 0.00 H new ATOM 1281 N GLU A 83 1.179 -4.494 -9.798 1.00 0.00 N ATOM 1282 CA GLU A 83 0.613 -4.765 -11.114 1.00 0.00 C ATOM 1283 C GLU A 83 1.698 -5.198 -12.095 1.00 0.00 C ATOM 1284 O GLU A 83 1.442 -5.963 -13.026 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.109 -3.527 -11.649 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.447 -3.610 -13.128 1.00 0.00 C ATOM 1287 CD GLU A 83 0.779 -3.502 -14.013 1.00 0.00 C ATOM 1288 OE1 GLU A 83 1.583 -2.569 -13.803 1.00 0.00 O ATOM 1289 OE2 GLU A 83 0.935 -4.350 -14.917 1.00 0.00 O ATOM 0 H GLU A 83 1.095 -3.524 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.105 -5.579 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.029 -3.380 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.515 -2.650 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.953 -4.554 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.146 -2.813 -13.383 1.00 0.00 H new ATOM 1296 N THR A 84 2.914 -4.703 -11.880 1.00 0.00 N ATOM 1297 CA THR A 84 4.038 -5.036 -12.745 1.00 0.00 C ATOM 1298 C THR A 84 4.575 -6.429 -12.437 1.00 0.00 C ATOM 1299 O THR A 84 4.605 -7.300 -13.306 1.00 0.00 O ATOM 1300 CB THR A 84 5.181 -4.014 -12.599 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.754 -2.731 -13.069 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.410 -4.461 -13.375 1.00 0.00 C ATOM 0 H THR A 84 3.144 -4.070 -11.114 1.00 0.00 H new ATOM 0 HA THR A 84 3.667 -5.011 -13.769 1.00 0.00 H new ATOM 0 HB THR A 84 5.444 -3.945 -11.543 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.792 -2.754 -13.255 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.203 -3.723 -13.256 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.750 -5.424 -12.994 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.158 -4.557 -14.431 1.00 0.00 H new ATOM 1310 N PHE A 85 4.999 -6.633 -11.194 1.00 0.00 N ATOM 1311 CA PHE A 85 5.536 -7.921 -10.771 1.00 0.00 C ATOM 1312 C PHE A 85 4.438 -8.981 -10.730 1.00 0.00 C ATOM 1313 O PHE A 85 4.556 -10.035 -11.352 1.00 0.00 O ATOM 1314 CB PHE A 85 6.192 -7.797 -9.394 1.00 0.00 C ATOM 1315 CG PHE A 85 7.140 -8.919 -9.079 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.465 -8.856 -9.476 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.705 -10.037 -8.385 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.340 -9.886 -9.187 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.575 -11.070 -8.092 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.894 -10.995 -8.495 1.00 0.00 C ATOM 0 H PHE A 85 4.981 -5.923 -10.462 1.00 0.00 H new ATOM 0 HA PHE A 85 6.288 -8.229 -11.498 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.731 -6.851 -9.341 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.414 -7.764 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.819 -7.992 -10.018 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.674 -10.102 -8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.371 -9.824 -9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.224 -11.935 -7.549 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.575 -11.802 -8.269 1.00 0.00 H new ATOM 1330 N ASN A 86 3.372 -8.691 -9.992 1.00 0.00 N ATOM 1331 CA ASN A 86 2.253 -9.619 -9.868 1.00 0.00 C ATOM 1332 C ASN A 86 1.250 -9.415 -10.999 1.00 0.00 C ATOM 1333 O ASN A 86 0.864 -8.287 -11.303 1.00 0.00 O ATOM 1334 CB ASN A 86 1.559 -9.436 -8.517 1.00 0.00 C ATOM 1335 CG ASN A 86 2.540 -9.423 -7.360 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.596 -8.305 -6.645 1.00 0.00 O flip ATOM 1337 ND2 ASN A 86 3.238 -10.406 -7.113 1.00 0.00 N flip ATOM 0 H ASN A 86 3.259 -7.822 -9.471 1.00 0.00 H new ATOM 0 HA ASN A 86 2.646 -10.634 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.997 -8.502 -8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.838 -10.240 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.161 -11.244 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.893 -10.383 -6.332 1.00 0.00 H new ATOM 1344 N GLU A 87 0.832 -10.515 -11.618 1.00 0.00 N ATOM 1345 CA GLU A 87 -0.126 -10.457 -12.716 1.00 0.00 C ATOM 1346 C GLU A 87 -1.554 -10.360 -12.187 1.00 0.00 C ATOM 1347 O GLU A 87 -1.934 -11.077 -11.261 1.00 0.00 O ATOM 1348 CB GLU A 87 0.016 -11.689 -13.612 1.00 0.00 C ATOM 1349 CG GLU A 87 1.061 -11.531 -14.703 1.00 0.00 C ATOM 1350 CD GLU A 87 2.461 -11.860 -14.222 1.00 0.00 C ATOM 1351 OE1 GLU A 87 2.739 -13.054 -13.979 1.00 0.00 O ATOM 1352 OE2 GLU A 87 3.279 -10.926 -14.089 1.00 0.00 O ATOM 0 H GLU A 87 1.142 -11.457 -11.378 1.00 0.00 H new ATOM 0 HA GLU A 87 0.087 -9.564 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.275 -12.549 -12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.948 -11.906 -14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.807 -12.180 -15.541 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.040 -10.507 -15.075 1.00 0.00 H new ATOM 1359 N ASP A 88 -2.339 -9.470 -12.782 1.00 0.00 N ATOM 1360 CA ASP A 88 -3.726 -9.279 -12.372 1.00 0.00 C ATOM 1361 C ASP A 88 -4.394 -10.618 -12.073 1.00 0.00 C ATOM 1362 O ASP A 88 -4.995 -10.800 -11.015 1.00 0.00 O ATOM 1363 CB ASP A 88 -4.504 -8.538 -13.460 1.00 0.00 C ATOM 1364 CG ASP A 88 -3.697 -7.420 -14.091 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -3.129 -6.602 -13.338 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -3.635 -7.363 -15.337 1.00 0.00 O ATOM 0 H ASP A 88 -2.039 -8.869 -13.550 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.731 -8.680 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.805 -9.245 -14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.418 -8.126 -13.032 1.00 0.00 H new ATOM 1371 N ASP A 89 -4.284 -11.550 -13.013 1.00 0.00 N ATOM 1372 CA ASP A 89 -4.877 -12.872 -12.851 1.00 0.00 C ATOM 1373 C ASP A 89 -4.562 -13.444 -11.471 1.00 0.00 C ATOM 1374 O ASP A 89 -5.436 -13.995 -10.803 1.00 0.00 O ATOM 1375 CB ASP A 89 -4.367 -13.820 -13.937 1.00 0.00 C ATOM 1376 CG ASP A 89 -5.046 -13.589 -15.273 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -6.274 -13.363 -15.282 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -4.350 -13.634 -16.308 1.00 0.00 O ATOM 0 H ASP A 89 -3.790 -11.414 -13.895 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.958 -12.772 -12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.291 -13.690 -14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.532 -14.850 -13.622 1.00 0.00 H new ATOM 1383 N SER A 90 -3.308 -13.308 -11.052 1.00 0.00 N ATOM 1384 CA SER A 90 -2.877 -13.815 -9.755 1.00 0.00 C ATOM 1385 C SER A 90 -3.689 -13.185 -8.628 1.00 0.00 C ATOM 1386 O SER A 90 -4.169 -12.058 -8.749 1.00 0.00 O ATOM 1387 CB SER A 90 -1.388 -13.535 -9.544 1.00 0.00 C ATOM 1388 OG SER A 90 -1.186 -12.257 -8.966 1.00 0.00 O ATOM 0 H SER A 90 -2.573 -12.851 -11.592 1.00 0.00 H new ATOM 0 HA SER A 90 -3.043 -14.892 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.959 -14.301 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.865 -13.593 -10.499 1.00 0.00 H new ATOM 0 HG SER A 90 -1.412 -11.563 -9.620 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.839 -13.921 -7.533 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.593 -13.435 -6.382 1.00 0.00 C ATOM 1396 C ASP A 91 -4.243 -11.982 -6.078 1.00 0.00 C ATOM 1397 O ASP A 91 -5.104 -11.103 -6.130 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.313 -14.307 -5.157 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.409 -15.788 -5.466 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.538 -16.277 -5.680 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -3.356 -16.459 -5.493 1.00 0.00 O ATOM 0 H ASP A 91 -3.449 -14.856 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.654 -13.492 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.317 -14.082 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.021 -14.057 -4.367 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.977 -11.737 -5.761 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.514 -10.390 -5.449 1.00 0.00 C ATOM 1408 C ILE A 92 -2.837 -9.422 -6.582 1.00 0.00 C ATOM 1409 O ILE A 92 -3.326 -8.318 -6.349 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.998 -10.364 -5.181 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.670 -11.139 -3.904 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.504 -8.929 -5.078 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.794 -11.088 -3.525 1.00 0.00 C ATOM 0 H ILE A 92 -2.253 -12.454 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.039 -10.076 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.488 -10.845 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.264 -10.738 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.967 -12.180 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.569 -8.926 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.709 -8.406 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.018 -8.425 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.953 -11.659 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.393 -11.516 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.092 -10.052 -3.363 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.559 -9.845 -7.812 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.828 -9.004 -8.964 1.00 0.00 C ATOM 1427 C GLY A 93 -4.182 -8.329 -8.885 1.00 0.00 C ATOM 1428 O GLY A 93 -4.270 -7.101 -8.848 1.00 0.00 O ATOM 0 H GLY A 93 -2.153 -10.755 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.051 -8.244 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.779 -9.608 -9.870 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.241 -9.131 -8.861 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.598 -8.603 -8.790 1.00 0.00 C ATOM 1434 C ARG A 94 -6.738 -7.616 -7.635 1.00 0.00 C ATOM 1435 O ARG A 94 -7.314 -6.540 -7.791 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.604 -9.744 -8.624 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.671 -10.676 -9.823 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.994 -11.425 -9.873 1.00 0.00 C ATOM 1439 NE ARG A 94 -10.007 -10.696 -10.632 1.00 0.00 N ATOM 1440 CZ ARG A 94 -11.307 -10.959 -10.563 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.750 -11.929 -9.775 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -12.167 -10.252 -11.284 1.00 0.00 N ATOM 0 H ARG A 94 -5.186 -10.149 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.805 -8.077 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.341 -10.323 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.593 -9.322 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.542 -10.101 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.849 -11.390 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.839 -12.405 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.353 -11.594 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.699 -9.944 -11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.092 -12.476 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.749 -12.129 -9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.830 -9.506 -11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.165 -10.455 -11.230 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.207 -7.991 -6.476 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.270 -7.138 -5.295 1.00 0.00 C ATOM 1458 C ALA A 95 -5.854 -5.709 -5.627 1.00 0.00 C ATOM 1459 O ALA A 95 -6.461 -4.750 -5.153 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.392 -7.703 -4.189 1.00 0.00 C ATOM 0 H ALA A 95 -5.728 -8.880 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.303 -7.116 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.449 -7.056 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.738 -8.702 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.360 -7.756 -4.535 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.814 -5.575 -6.444 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.334 -4.259 -6.824 1.00 0.00 C ATOM 1468 C GLY A 96 -5.386 -3.446 -7.552 1.00 0.00 C ATOM 1469 O GLY A 96 -5.562 -2.259 -7.279 1.00 0.00 O ATOM 0 H GLY A 96 -4.295 -6.354 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.016 -3.720 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.456 -4.366 -7.462 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.086 -4.086 -8.484 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.126 -3.414 -9.255 1.00 0.00 C ATOM 1475 C HIS A 97 -8.224 -2.883 -8.338 1.00 0.00 C ATOM 1476 O HIS A 97 -8.703 -1.763 -8.512 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.724 -4.371 -10.286 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.799 -4.682 -11.422 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.710 -3.902 -12.555 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.919 -5.695 -11.595 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.815 -4.422 -13.376 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.320 -5.511 -12.817 1.00 0.00 N ATOM 0 H HIS A 97 -5.952 -5.068 -8.723 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.672 -2.570 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.001 -5.301 -9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.641 -3.937 -10.684 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.251 -3.055 -12.732 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.724 -6.499 -10.901 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.536 -4.024 -14.340 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.618 -3.695 -7.363 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.661 -3.307 -6.420 1.00 0.00 C ATOM 1492 C ASN A 98 -9.240 -2.080 -5.618 1.00 0.00 C ATOM 1493 O ASN A 98 -9.928 -1.060 -5.618 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.978 -4.466 -5.472 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.069 -5.371 -6.010 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.741 -5.039 -6.987 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.252 -6.521 -5.372 1.00 0.00 N ATOM 0 H ASN A 98 -8.231 -4.625 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.556 -3.057 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.074 -5.052 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.284 -4.067 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.973 -7.170 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.672 -6.755 -4.567 1.00 0.00 H new ATOM 1504 N MET A 99 -8.104 -2.186 -4.936 1.00 0.00 N ATOM 1505 CA MET A 99 -7.590 -1.084 -4.131 1.00 0.00 C ATOM 1506 C MET A 99 -7.446 0.181 -4.970 1.00 0.00 C ATOM 1507 O MET A 99 -7.989 1.231 -4.625 1.00 0.00 O ATOM 1508 CB MET A 99 -6.240 -1.460 -3.517 1.00 0.00 C ATOM 1509 CG MET A 99 -6.317 -2.627 -2.546 1.00 0.00 C ATOM 1510 SD MET A 99 -7.648 -2.444 -1.343 1.00 0.00 S ATOM 1511 CE MET A 99 -7.150 -0.935 -0.516 1.00 0.00 C ATOM 0 H MET A 99 -7.522 -3.024 -4.925 1.00 0.00 H new ATOM 0 HA MET A 99 -8.303 -0.888 -3.330 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.543 -1.709 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.832 -0.593 -2.998 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.463 -3.551 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.367 -2.720 -2.020 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.319 -1.035 0.556 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.092 -0.751 -0.701 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.736 -0.100 -0.900 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.712 0.074 -6.073 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.496 1.210 -6.960 1.00 0.00 C ATOM 1523 C ARG A 100 -7.757 2.062 -7.070 1.00 0.00 C ATOM 1524 O ARG A 100 -7.701 3.289 -6.984 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.071 0.727 -8.348 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.751 1.856 -9.314 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.853 1.398 -10.760 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.860 0.375 -11.081 1.00 0.00 N ATOM 1529 CZ ARG A 100 -4.953 -0.435 -12.130 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -5.986 -0.342 -12.955 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -4.009 -1.340 -12.356 1.00 0.00 N ATOM 0 H ARG A 100 -6.257 -0.788 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.700 1.823 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.195 0.086 -8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.868 0.114 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.437 2.686 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.745 2.229 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.852 1.004 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.719 2.254 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.052 0.278 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.713 0.353 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.054 -0.966 -13.759 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.212 -1.414 -11.724 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.081 -1.962 -13.161 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.895 1.403 -7.261 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.171 2.097 -7.382 1.00 0.00 C ATOM 1547 C LYS A 101 -10.620 2.650 -6.033 1.00 0.00 C ATOM 1548 O LYS A 101 -11.106 3.778 -5.944 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.239 1.153 -7.938 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.896 0.584 -9.305 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.046 -0.227 -9.876 1.00 0.00 C ATOM 1552 CE LYS A 101 -11.563 -1.217 -10.925 1.00 0.00 C ATOM 1553 NZ LYS A 101 -12.520 -2.343 -11.108 1.00 0.00 N ATOM 0 H LYS A 101 -8.959 0.388 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.038 2.931 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.385 0.331 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.186 1.688 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.649 1.398 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.010 -0.046 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.549 -0.764 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.781 0.444 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.424 -0.701 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.590 -1.611 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.154 -2.995 -11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.634 -2.852 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.441 -1.969 -11.413 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.453 1.850 -4.986 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.842 2.260 -3.642 1.00 0.00 C ATOM 1569 C TYR A 102 -10.060 3.493 -3.200 1.00 0.00 C ATOM 1570 O TYR A 102 -10.640 4.541 -2.916 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.615 1.116 -2.652 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.134 1.406 -1.262 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.375 2.132 -0.352 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -12.385 0.955 -0.858 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.846 2.398 0.919 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -12.864 1.218 0.410 1.00 0.00 C ATOM 1577 CZ TYR A 102 -12.091 1.939 1.295 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.564 2.204 2.560 1.00 0.00 O ATOM 0 H TYR A 102 -10.051 0.914 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.902 2.512 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.100 0.217 -3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.548 0.903 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.400 2.494 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.993 0.389 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.243 2.962 1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.839 0.861 0.707 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.456 1.812 2.664 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.739 3.359 -3.145 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.875 4.461 -2.738 1.00 0.00 C ATOM 1590 C PHE A 103 -8.390 5.788 -3.290 1.00 0.00 C ATOM 1591 O PHE A 103 -8.489 6.776 -2.564 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.443 4.218 -3.217 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.536 5.399 -3.020 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.276 5.886 -1.749 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.944 6.024 -4.106 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.442 6.972 -1.564 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.109 7.110 -3.927 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.859 7.586 -2.654 1.00 0.00 C ATOM 0 H PHE A 103 -8.243 2.498 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.882 4.513 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.031 3.361 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.462 3.957 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.731 5.411 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.138 5.658 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.247 7.340 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.652 7.587 -4.782 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.209 8.437 -2.512 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.715 5.800 -4.579 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.217 7.005 -5.228 1.00 0.00 C ATOM 1610 C GLU A 104 -10.544 7.441 -4.613 1.00 0.00 C ATOM 1611 O GLU A 104 -10.629 8.484 -3.964 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.392 6.767 -6.729 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.127 6.289 -7.421 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.217 7.431 -7.829 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -6.848 8.238 -6.950 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.876 7.520 -9.027 1.00 0.00 O ATOM 0 H GLU A 104 -8.640 4.990 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.487 7.800 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.180 6.030 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.725 7.692 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.585 5.618 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.397 5.711 -8.305 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.580 6.634 -4.822 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.903 6.934 -4.289 1.00 0.00 C ATOM 1625 C LYS A 105 -12.808 7.464 -2.861 1.00 0.00 C ATOM 1626 O LYS A 105 -13.455 8.450 -2.510 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.784 5.683 -4.322 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.572 5.528 -5.611 1.00 0.00 C ATOM 1629 CD LYS A 105 -13.688 5.048 -6.750 1.00 0.00 C ATOM 1630 CE LYS A 105 -14.370 5.226 -8.098 1.00 0.00 C ATOM 1631 NZ LYS A 105 -13.437 4.970 -9.230 1.00 0.00 N ATOM 0 H LYS A 105 -11.528 5.767 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.353 7.705 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.156 4.803 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.479 5.716 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.386 4.820 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.026 6.482 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.749 5.601 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.441 3.997 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.220 4.547 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.764 6.239 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.940 5.102 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.639 5.634 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.080 3.995 -9.172 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.996 6.804 -2.043 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.813 7.209 -0.655 1.00 0.00 C ATOM 1647 C LYS A 106 -11.073 8.541 -0.569 1.00 0.00 C ATOM 1648 O LYS A 106 -11.438 9.414 0.218 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.040 6.135 0.114 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.726 6.521 1.549 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.972 6.501 2.418 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.671 6.966 3.835 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.910 7.342 4.570 1.00 0.00 N ATOM 0 H LYS A 106 -11.453 5.985 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.799 7.331 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.620 5.212 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.107 5.926 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.985 5.834 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.283 7.517 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.734 7.143 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.382 5.491 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.155 6.173 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.995 7.821 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.663 7.653 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.390 8.116 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.544 6.520 4.625 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.036 8.689 -1.385 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.246 9.915 -1.402 1.00 0.00 C ATOM 1669 C TRP A 107 -10.090 11.099 -1.860 1.00 0.00 C ATOM 1670 O TRP A 107 -10.308 12.048 -1.106 1.00 0.00 O ATOM 1671 CB TRP A 107 -8.033 9.752 -2.319 1.00 0.00 C ATOM 1672 CG TRP A 107 -7.113 10.935 -2.302 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.291 12.122 -2.954 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.870 11.044 -1.599 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.234 12.962 -2.700 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.349 12.325 -1.870 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.148 10.186 -0.766 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.140 12.764 -1.338 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.948 10.623 -0.239 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.454 11.902 -0.526 1.00 0.00 C ATOM 0 H TRP A 107 -9.722 7.976 -2.043 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.901 10.110 -0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.477 8.864 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.378 9.583 -3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.139 12.365 -3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -6.126 13.907 -3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.521 9.199 -0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.757 13.750 -1.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.381 9.967 0.405 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.513 12.214 -0.098 1.00 0.00 H new ATOM 1691 N THR A 108 -10.565 11.038 -3.100 1.00 0.00 N ATOM 1692 CA THR A 108 -11.384 12.106 -3.659 1.00 0.00 C ATOM 1693 C THR A 108 -12.417 12.591 -2.649 1.00 0.00 C ATOM 1694 O THR A 108 -12.741 13.778 -2.599 1.00 0.00 O ATOM 1695 CB THR A 108 -12.110 11.647 -4.938 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.804 12.750 -5.530 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.093 10.528 -4.630 1.00 0.00 C ATOM 0 H THR A 108 -10.396 10.259 -3.737 1.00 0.00 H new ATOM 0 HA THR A 108 -10.709 12.925 -3.907 1.00 0.00 H new ATOM 0 HB THR A 108 -11.364 11.271 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.261 12.450 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.594 10.220 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.557 9.679 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.834 10.882 -3.914 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.932 11.667 -1.845 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.928 12.002 -0.834 1.00 0.00 C ATOM 1707 C ASP A 109 -13.278 12.694 0.361 1.00 0.00 C ATOM 1708 O ASP A 109 -13.809 13.671 0.890 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.661 10.742 -0.373 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.035 11.045 0.191 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.874 11.593 -0.554 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.272 10.734 1.377 1.00 0.00 O ATOM 0 H ASP A 109 -12.676 10.680 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.647 12.688 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.760 10.055 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.064 10.235 0.385 1.00 0.00 H new ATOM 1717 N THR A 110 -12.127 12.179 0.782 1.00 0.00 N ATOM 1718 CA THR A 110 -11.406 12.746 1.915 1.00 0.00 C ATOM 1719 C THR A 110 -11.220 14.250 1.752 1.00 0.00 C ATOM 1720 O THR A 110 -11.643 15.033 2.603 1.00 0.00 O ATOM 1721 CB THR A 110 -10.026 12.085 2.089 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.183 10.702 2.426 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.222 12.788 3.173 1.00 0.00 C ATOM 0 H THR A 110 -11.674 11.371 0.356 1.00 0.00 H new ATOM 0 HA THR A 110 -12.008 12.552 2.802 1.00 0.00 H new ATOM 0 HB THR A 110 -9.486 12.169 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.615 10.231 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.251 12.304 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.078 13.833 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.760 12.731 4.119 1.00 0.00 H new ATOM 1731 N PHE A 111 -10.586 14.648 0.655 1.00 0.00 N ATOM 1732 CA PHE A 111 -10.343 16.059 0.381 1.00 0.00 C ATOM 1733 C PHE A 111 -11.281 16.570 -0.709 1.00 0.00 C ATOM 1734 O PHE A 111 -12.226 17.309 -0.435 1.00 0.00 O ATOM 1735 CB PHE A 111 -8.888 16.277 -0.038 1.00 0.00 C ATOM 1736 CG PHE A 111 -7.893 15.728 0.943 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -7.501 14.400 0.883 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -7.348 16.539 1.925 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -6.586 13.892 1.786 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -6.433 16.037 2.831 1.00 0.00 C ATOM 1741 CZ PHE A 111 -6.050 14.711 2.760 1.00 0.00 C ATOM 0 H PHE A 111 -10.231 14.013 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 111 -10.537 16.620 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.724 15.810 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.711 17.345 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.915 13.755 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.642 17.577 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.290 12.855 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.018 16.680 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.333 14.316 3.465 1.00 0.00 H new ATOM 1751 N LYS A 112 -11.011 16.172 -1.948 1.00 0.00 N ATOM 1752 CA LYS A 112 -11.828 16.587 -3.081 1.00 0.00 C ATOM 1753 C LYS A 112 -13.298 16.255 -2.843 1.00 0.00 C ATOM 1754 O LYS A 112 -14.146 17.146 -2.793 1.00 0.00 O ATOM 1755 CB LYS A 112 -11.342 15.908 -4.364 1.00 0.00 C ATOM 1756 CG LYS A 112 -12.231 16.171 -5.566 1.00 0.00 C ATOM 1757 CD LYS A 112 -11.880 17.486 -6.242 1.00 0.00 C ATOM 1758 CE LYS A 112 -12.316 17.498 -7.699 1.00 0.00 C ATOM 1759 NZ LYS A 112 -11.826 18.708 -8.415 1.00 0.00 N ATOM 0 H LYS A 112 -10.231 15.562 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 112 -11.731 17.667 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.332 16.253 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.282 14.833 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.129 15.355 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -13.274 16.190 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.359 18.308 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.804 17.651 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.941 16.604 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.404 17.460 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.144 18.678 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.204 19.561 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.787 18.731 -8.386 1.00 0.00 H new TER 1773 LYS A 112