USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 12 CYS SG : rot 180:sc= 0.263 USER MOD Set 1.2: A 15 CYS SG : rot 76:sc= 0.871 USER MOD Set 1.3: A 61 TYR OH : rot 14:sc= 0.0871 USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.806 K(o=1.5,f=-1.8!) USER MOD Set 2.2: A 40 THR OG1 : rot 63:sc= 0.665 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 165:sc= 0 (180deg=-0.279) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -130:sc= -0.144 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 106:sc= 0.145 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=-0.084) USER MOD Single : A 57 THR OG1 : rot 75:sc= 0.338 USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.782 -9.180 -1.367 1.00 0.00 N ATOM 19 CA LEU A 3 2.888 -8.988 -0.231 1.00 0.00 C ATOM 20 C LEU A 3 1.476 -8.652 -0.699 1.00 0.00 C ATOM 21 O LEU A 3 1.287 -8.064 -1.764 1.00 0.00 O ATOM 22 CB LEU A 3 3.426 -7.882 0.687 1.00 0.00 C ATOM 23 CG LEU A 3 4.825 -8.135 1.262 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.277 -6.933 2.080 1.00 0.00 C ATOM 25 CD2 LEU A 3 4.804 -9.392 2.119 1.00 0.00 C ATOM 0 HA LEU A 3 2.845 -9.921 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.443 -6.946 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.729 -7.747 1.514 1.00 0.00 H new ATOM 0 HG LEU A 3 5.533 -8.279 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.271 -7.121 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.306 -6.049 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.578 -6.767 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.799 -9.571 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.094 -9.263 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.504 -10.244 1.508 1.00 0.00 H new ATOM 37 N SER A 4 0.486 -9.030 0.103 1.00 0.00 N ATOM 38 CA SER A 4 -0.900 -8.667 -0.169 1.00 0.00 C ATOM 39 C SER A 4 -1.535 -8.000 1.047 1.00 0.00 C ATOM 40 O SER A 4 -1.371 -8.458 2.178 1.00 0.00 O ATOM 41 CB SER A 4 -1.692 -9.893 -0.577 1.00 0.00 C ATOM 42 OG SER A 4 -3.042 -9.595 -0.806 1.00 0.00 O ATOM 0 H SER A 4 0.618 -9.588 0.947 1.00 0.00 H new ATOM 0 HA SER A 4 -0.913 -7.952 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.257 -10.321 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.615 -10.650 0.203 1.00 0.00 H new ATOM 0 HG SER A 4 -3.517 -10.411 -1.068 1.00 0.00 H new ATOM 48 N PHE A 5 -2.263 -6.914 0.806 1.00 0.00 N ATOM 49 CA PHE A 5 -2.860 -6.137 1.886 1.00 0.00 C ATOM 50 C PHE A 5 -4.343 -5.891 1.625 1.00 0.00 C ATOM 51 O PHE A 5 -4.748 -5.607 0.497 1.00 0.00 O ATOM 52 CB PHE A 5 -2.126 -4.807 2.057 1.00 0.00 C ATOM 53 CG PHE A 5 -0.666 -4.957 2.382 1.00 0.00 C ATOM 54 CD1 PHE A 5 -0.250 -5.178 3.686 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.293 -4.880 1.383 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.091 -5.316 3.986 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.635 -5.018 1.680 1.00 0.00 C ATOM 58 CZ PHE A 5 2.035 -5.236 2.982 1.00 0.00 C ATOM 0 H PHE A 5 -2.454 -6.552 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.765 -6.711 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.227 -4.227 1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.608 -4.236 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.983 -5.243 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.013 -4.710 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.401 -5.487 5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.371 -4.955 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.084 -5.344 3.215 1.00 0.00 H new ATOM 68 N HIS A 6 -5.149 -6.002 2.676 1.00 0.00 N ATOM 69 CA HIS A 6 -6.495 -5.440 2.670 1.00 0.00 C ATOM 70 C HIS A 6 -6.573 -4.210 3.568 1.00 0.00 C ATOM 71 O HIS A 6 -6.418 -4.306 4.785 1.00 0.00 O ATOM 72 CB HIS A 6 -7.521 -6.485 3.119 1.00 0.00 C ATOM 73 CG HIS A 6 -7.620 -7.664 2.202 1.00 0.00 C ATOM 74 ND1 HIS A 6 -8.199 -7.589 0.952 1.00 0.00 N ATOM 75 CD2 HIS A 6 -7.215 -8.947 2.352 1.00 0.00 C ATOM 76 CE1 HIS A 6 -8.144 -8.775 0.373 1.00 0.00 C ATOM 77 NE2 HIS A 6 -7.553 -9.617 1.201 1.00 0.00 N ATOM 0 H HIS A 6 -4.894 -6.476 3.542 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.728 -5.139 1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.258 -6.834 4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.500 -6.011 3.194 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.606 -6.749 0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.719 -9.366 3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.519 -9.015 -0.611 1.00 0.00 H new ATOM 84 N VAL A 7 -6.815 -3.053 2.959 1.00 0.00 N ATOM 85 CA VAL A 7 -6.755 -1.785 3.675 1.00 0.00 C ATOM 86 C VAL A 7 -8.131 -1.378 4.191 1.00 0.00 C ATOM 87 O VAL A 7 -9.071 -1.213 3.415 1.00 0.00 O ATOM 88 CB VAL A 7 -6.197 -0.659 2.784 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.184 0.661 3.539 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.797 -1.008 2.300 1.00 0.00 C ATOM 0 H VAL A 7 -7.054 -2.968 1.971 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.083 -1.933 4.520 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.847 -0.553 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.787 1.445 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.200 0.918 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.556 0.567 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.418 -0.202 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.138 -1.140 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.831 -1.932 1.723 1.00 0.00 H new ATOM 100 N GLU A 8 -8.240 -1.216 5.506 1.00 0.00 N ATOM 101 CA GLU A 8 -9.517 -0.894 6.132 1.00 0.00 C ATOM 102 C GLU A 8 -9.952 0.526 5.782 1.00 0.00 C ATOM 103 O GLU A 8 -11.143 0.805 5.636 1.00 0.00 O ATOM 104 CB GLU A 8 -9.428 -1.061 7.650 1.00 0.00 C ATOM 105 CG GLU A 8 -9.288 -2.503 8.117 1.00 0.00 C ATOM 106 CD GLU A 8 -9.144 -2.581 9.612 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.097 -1.551 10.240 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.195 -3.668 10.137 1.00 0.00 O ATOM 0 H GLU A 8 -7.460 -1.302 6.158 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.265 -1.587 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.576 -0.489 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.321 -0.630 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.161 -3.076 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.420 -2.959 7.641 1.00 0.00 H new ATOM 115 N ASP A 9 -8.979 1.421 5.649 1.00 0.00 N ATOM 116 CA ASP A 9 -9.265 2.834 5.431 1.00 0.00 C ATOM 117 C ASP A 9 -9.363 3.145 3.941 1.00 0.00 C ATOM 118 O ASP A 9 -9.358 4.308 3.537 1.00 0.00 O ATOM 119 CB ASP A 9 -8.190 3.706 6.084 1.00 0.00 C ATOM 120 CG ASP A 9 -8.104 3.571 7.598 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.127 3.624 8.238 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.044 3.263 8.088 1.00 0.00 O ATOM 0 H ASP A 9 -7.986 1.193 5.688 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.226 3.059 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.222 3.451 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.385 4.749 5.835 1.00 0.00 H new ATOM 127 N MET A 10 -9.450 2.096 3.128 1.00 0.00 N ATOM 128 CA MET A 10 -9.617 2.259 1.689 1.00 0.00 C ATOM 129 C MET A 10 -10.973 2.877 1.363 1.00 0.00 C ATOM 130 O MET A 10 -12.012 2.390 1.810 1.00 0.00 O ATOM 131 CB MET A 10 -9.463 0.913 0.982 1.00 0.00 C ATOM 132 CG MET A 10 -9.576 0.981 -0.534 1.00 0.00 C ATOM 133 SD MET A 10 -8.183 1.837 -1.296 1.00 0.00 S ATOM 134 CE MET A 10 -6.901 0.595 -1.150 1.00 0.00 C ATOM 0 H MET A 10 -9.408 1.126 3.441 1.00 0.00 H new ATOM 0 HA MET A 10 -8.841 2.936 1.331 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.494 0.488 1.243 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.223 0.229 1.360 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.640 -0.030 -0.936 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.502 1.490 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.066 0.856 -1.800 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.556 0.548 -0.117 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.300 -0.376 -1.444 1.00 0.00 H new ATOM 144 N THR A 11 -10.957 3.953 0.584 1.00 0.00 N ATOM 145 CA THR A 11 -12.184 4.646 0.210 1.00 0.00 C ATOM 146 C THR A 11 -12.372 4.655 -1.303 1.00 0.00 C ATOM 147 O THR A 11 -13.440 4.303 -1.806 1.00 0.00 O ATOM 148 CB THR A 11 -12.193 6.097 0.727 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.031 6.099 2.152 1.00 0.00 O ATOM 150 CG2 THR A 11 -13.502 6.783 0.368 1.00 0.00 C ATOM 0 H THR A 11 -10.107 4.364 0.199 1.00 0.00 H new ATOM 0 HA THR A 11 -13.007 4.100 0.672 1.00 0.00 H new ATOM 0 HB THR A 11 -11.371 6.639 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.035 7.022 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.490 7.807 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.622 6.793 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.333 6.241 0.820 1.00 0.00 H new ATOM 158 N CYS A 12 -11.331 5.058 -2.021 1.00 0.00 N ATOM 159 CA CYS A 12 -11.417 5.219 -3.469 1.00 0.00 C ATOM 160 C CYS A 12 -10.042 5.079 -4.114 1.00 0.00 C ATOM 161 O CYS A 12 -9.032 4.948 -3.425 1.00 0.00 O ATOM 162 CB CYS A 12 -11.942 6.646 -3.620 1.00 0.00 C ATOM 163 SG CYS A 12 -10.826 7.926 -2.994 1.00 0.00 S ATOM 0 H CYS A 12 -10.417 5.280 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.047 4.471 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.139 6.838 -4.675 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.896 6.726 -3.098 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.364 9.096 -3.172 1.00 0.00 H new ATOM 169 N GLY A 13 -10.012 5.106 -5.443 1.00 0.00 N ATOM 170 CA GLY A 13 -8.764 4.927 -6.161 1.00 0.00 C ATOM 171 C GLY A 13 -7.774 6.044 -5.889 1.00 0.00 C ATOM 172 O GLY A 13 -6.570 5.876 -6.079 1.00 0.00 O ATOM 0 H GLY A 13 -10.830 5.249 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.319 3.973 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.967 4.878 -7.231 1.00 0.00 H new ATOM 176 N HIS A 14 -8.283 7.189 -5.445 1.00 0.00 N ATOM 177 CA HIS A 14 -7.433 8.328 -5.117 1.00 0.00 C ATOM 178 C HIS A 14 -6.706 8.100 -3.795 1.00 0.00 C ATOM 179 O HIS A 14 -5.586 8.574 -3.602 1.00 0.00 O ATOM 180 CB HIS A 14 -8.256 9.618 -5.049 1.00 0.00 C ATOM 181 CG HIS A 14 -8.826 10.038 -6.367 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.039 10.466 -7.417 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.105 10.097 -6.808 1.00 0.00 C ATOM 184 CE1 HIS A 14 -8.810 10.769 -8.446 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.067 10.554 -8.102 1.00 0.00 N ATOM 0 H HIS A 14 -9.280 7.353 -5.304 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.690 8.430 -5.908 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.071 9.482 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.627 10.420 -4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.989 9.834 -6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.470 11.131 -9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.879 10.703 -8.701 1.00 0.00 H new ATOM 192 N CYS A 15 -7.350 7.372 -2.889 1.00 0.00 N ATOM 193 CA CYS A 15 -6.719 6.983 -1.633 1.00 0.00 C ATOM 194 C CYS A 15 -5.743 5.830 -1.849 1.00 0.00 C ATOM 195 O CYS A 15 -4.725 5.729 -1.165 1.00 0.00 O ATOM 196 CB CYS A 15 -7.906 6.533 -0.782 1.00 0.00 C ATOM 197 SG CYS A 15 -8.994 7.875 -0.244 1.00 0.00 S ATOM 0 H CYS A 15 -8.308 7.040 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.137 7.784 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.493 5.812 -1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.529 6.012 0.098 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.737 8.257 -1.240 1.00 0.00 H new ATOM 203 N ALA A 16 -6.063 4.962 -2.802 1.00 0.00 N ATOM 204 CA ALA A 16 -5.150 3.901 -3.208 1.00 0.00 C ATOM 205 C ALA A 16 -3.859 4.478 -3.783 1.00 0.00 C ATOM 206 O ALA A 16 -2.777 3.933 -3.573 1.00 0.00 O ATOM 207 CB ALA A 16 -5.819 2.986 -4.223 1.00 0.00 C ATOM 0 H ALA A 16 -6.949 4.973 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.895 3.318 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.125 2.199 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.708 2.538 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.104 3.564 -5.102 1.00 0.00 H new ATOM 213 N GLY A 17 -3.984 5.583 -4.511 1.00 0.00 N ATOM 214 CA GLY A 17 -2.813 6.269 -5.024 1.00 0.00 C ATOM 215 C GLY A 17 -1.916 6.790 -3.918 1.00 0.00 C ATOM 216 O GLY A 17 -0.690 6.715 -4.016 1.00 0.00 O ATOM 0 H GLY A 17 -4.875 6.015 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.245 5.588 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.129 7.101 -5.653 1.00 0.00 H new ATOM 220 N VAL A 18 -2.527 7.323 -2.865 1.00 0.00 N ATOM 221 CA VAL A 18 -1.779 7.791 -1.705 1.00 0.00 C ATOM 222 C VAL A 18 -1.049 6.642 -1.019 1.00 0.00 C ATOM 223 O VAL A 18 0.099 6.787 -0.594 1.00 0.00 O ATOM 224 CB VAL A 18 -2.698 8.487 -0.682 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.931 8.806 0.592 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.291 9.755 -1.277 1.00 0.00 C ATOM 0 H VAL A 18 -3.537 7.441 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.049 8.512 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.513 7.808 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.595 9.297 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.551 7.883 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.097 9.467 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.937 10.234 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.487 10.438 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.874 9.503 -2.163 1.00 0.00 H new ATOM 236 N ILE A 19 -1.720 5.500 -0.916 1.00 0.00 N ATOM 237 CA ILE A 19 -1.108 4.304 -0.349 1.00 0.00 C ATOM 238 C ILE A 19 0.107 3.872 -1.161 1.00 0.00 C ATOM 239 O ILE A 19 1.157 3.545 -0.606 1.00 0.00 O ATOM 240 CB ILE A 19 -2.110 3.137 -0.277 1.00 0.00 C ATOM 241 CG1 ILE A 19 -3.217 3.445 0.735 1.00 0.00 C ATOM 242 CG2 ILE A 19 -1.395 1.845 0.088 1.00 0.00 C ATOM 243 CD1 ILE A 19 -4.413 2.527 0.630 1.00 0.00 C ATOM 0 H ILE A 19 -2.687 5.377 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.792 4.560 0.662 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.567 3.011 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.805 3.376 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.548 4.474 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.117 1.030 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.642 1.620 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.912 1.958 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.154 2.808 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.851 2.613 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.098 1.498 0.800 1.00 0.00 H new ATOM 255 N LYS A 20 -0.039 3.873 -2.482 1.00 0.00 N ATOM 256 CA LYS A 20 1.070 3.558 -3.376 1.00 0.00 C ATOM 257 C LYS A 20 2.227 4.528 -3.168 1.00 0.00 C ATOM 258 O LYS A 20 3.392 4.133 -3.191 1.00 0.00 O ATOM 259 CB LYS A 20 0.609 3.588 -4.835 1.00 0.00 C ATOM 260 CG LYS A 20 1.712 3.311 -5.848 1.00 0.00 C ATOM 261 CD LYS A 20 1.150 3.193 -7.258 1.00 0.00 C ATOM 262 CE LYS A 20 2.251 2.916 -8.271 1.00 0.00 C ATOM 263 NZ LYS A 20 1.720 2.822 -9.658 1.00 0.00 N ATOM 0 H LYS A 20 -0.915 4.089 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 20 1.419 2.552 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.184 2.852 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.175 4.565 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.450 4.113 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.230 2.390 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.412 2.392 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.632 4.115 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.997 3.709 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.756 1.986 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.502 2.633 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.026 2.049 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.260 3.719 -9.915 1.00 0.00 H new ATOM 277 N GLY A 21 1.900 5.801 -2.966 1.00 0.00 N ATOM 278 CA GLY A 21 2.923 6.801 -2.726 1.00 0.00 C ATOM 279 C GLY A 21 3.719 6.525 -1.465 1.00 0.00 C ATOM 280 O GLY A 21 4.939 6.686 -1.448 1.00 0.00 O ATOM 0 H GLY A 21 0.944 6.157 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.600 6.836 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.456 7.783 -2.650 1.00 0.00 H new ATOM 284 N ALA A 22 3.028 6.109 -0.410 1.00 0.00 N ATOM 285 CA ALA A 22 3.688 5.728 0.833 1.00 0.00 C ATOM 286 C ALA A 22 4.609 4.533 0.621 1.00 0.00 C ATOM 287 O ALA A 22 5.727 4.498 1.138 1.00 0.00 O ATOM 288 CB ALA A 22 2.654 5.417 1.905 1.00 0.00 C ATOM 0 H ALA A 22 2.011 6.027 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 22 4.298 6.568 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.160 5.134 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.039 6.299 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.021 4.595 1.572 1.00 0.00 H new ATOM 294 N ILE A 23 4.134 3.552 -0.141 1.00 0.00 N ATOM 295 CA ILE A 23 4.923 2.362 -0.434 1.00 0.00 C ATOM 296 C ILE A 23 6.187 2.719 -1.209 1.00 0.00 C ATOM 297 O ILE A 23 7.276 2.244 -0.891 1.00 0.00 O ATOM 298 CB ILE A 23 4.111 1.332 -1.240 1.00 0.00 C ATOM 299 CG1 ILE A 23 2.973 0.765 -0.387 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.015 0.214 -1.737 1.00 0.00 C ATOM 301 CD1 ILE A 23 1.953 -0.024 -1.177 1.00 0.00 C ATOM 0 H ILE A 23 3.207 3.559 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 23 5.200 1.922 0.524 1.00 0.00 H new ATOM 0 HB ILE A 23 3.677 1.833 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.396 0.123 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.469 1.587 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.425 -0.506 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.792 0.632 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.476 -0.286 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.179 -0.393 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.501 0.619 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.443 -0.867 -1.664 1.00 0.00 H new ATOM 313 N GLU A 24 6.033 3.562 -2.226 1.00 0.00 N ATOM 314 CA GLU A 24 7.167 3.999 -3.033 1.00 0.00 C ATOM 315 C GLU A 24 8.141 4.825 -2.199 1.00 0.00 C ATOM 316 O GLU A 24 9.354 4.772 -2.406 1.00 0.00 O ATOM 317 CB GLU A 24 6.687 4.809 -4.240 1.00 0.00 C ATOM 318 CG GLU A 24 7.795 5.229 -5.195 1.00 0.00 C ATOM 319 CD GLU A 24 8.432 4.036 -5.852 1.00 0.00 C ATOM 320 OE1 GLU A 24 7.882 2.965 -5.756 1.00 0.00 O ATOM 321 OE2 GLU A 24 9.406 4.214 -6.545 1.00 0.00 O ATOM 0 H GLU A 24 5.136 3.955 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 24 7.688 3.111 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.954 4.219 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.174 5.702 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.388 5.893 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.552 5.794 -4.651 1.00 0.00 H new ATOM 328 N LYS A 25 7.603 5.589 -1.253 1.00 0.00 N ATOM 329 CA LYS A 25 8.419 6.463 -0.419 1.00 0.00 C ATOM 330 C LYS A 25 9.446 5.658 0.371 1.00 0.00 C ATOM 331 O LYS A 25 10.612 6.045 0.472 1.00 0.00 O ATOM 332 CB LYS A 25 7.538 7.275 0.532 1.00 0.00 C ATOM 333 CG LYS A 25 8.299 8.258 1.410 1.00 0.00 C ATOM 334 CD LYS A 25 7.349 9.108 2.242 1.00 0.00 C ATOM 335 CE LYS A 25 8.110 10.066 3.146 1.00 0.00 C ATOM 336 NZ LYS A 25 7.193 10.903 3.966 1.00 0.00 N ATOM 0 H LYS A 25 6.605 5.620 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 25 8.953 7.151 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.802 7.825 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.986 6.587 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.974 7.712 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.916 8.904 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.691 9.673 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.714 8.461 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.769 9.499 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.745 10.711 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.751 11.542 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.581 11.464 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.605 10.289 4.565 1.00 0.00 H new ATOM 350 N THR A 26 9.007 4.535 0.932 1.00 0.00 N ATOM 351 CA THR A 26 9.880 3.692 1.740 1.00 0.00 C ATOM 352 C THR A 26 10.631 2.689 0.874 1.00 0.00 C ATOM 353 O THR A 26 11.746 2.283 1.202 1.00 0.00 O ATOM 354 CB THR A 26 9.089 2.931 2.821 1.00 0.00 C ATOM 355 OG1 THR A 26 8.581 3.860 3.788 1.00 0.00 O ATOM 356 CG2 THR A 26 9.979 1.915 3.518 1.00 0.00 C ATOM 0 H THR A 26 8.052 4.188 0.841 1.00 0.00 H new ATOM 0 HA THR A 26 10.595 4.355 2.226 1.00 0.00 H new ATOM 0 HB THR A 26 8.263 2.406 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.806 3.550 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.403 1.387 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.356 1.200 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.817 2.428 3.989 1.00 0.00 H new ATOM 364 N VAL A 27 10.014 2.292 -0.236 1.00 0.00 N ATOM 365 CA VAL A 27 10.618 1.320 -1.138 1.00 0.00 C ATOM 366 C VAL A 27 10.631 1.837 -2.572 1.00 0.00 C ATOM 367 O VAL A 27 9.614 1.841 -3.267 1.00 0.00 O ATOM 368 CB VAL A 27 9.876 -0.029 -1.094 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.535 -1.031 -2.031 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.841 -0.572 0.326 1.00 0.00 C ATOM 0 H VAL A 27 9.097 2.629 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 27 11.643 1.169 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 27 8.851 0.132 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.998 -1.978 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.510 -0.647 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.570 -1.187 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.313 -1.525 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.860 -0.717 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.325 0.137 0.974 1.00 0.00 H new ATOM 380 N PRO A 28 11.810 2.285 -3.030 1.00 0.00 N ATOM 381 CA PRO A 28 11.987 2.798 -4.392 1.00 0.00 C ATOM 382 C PRO A 28 11.905 1.695 -5.442 1.00 0.00 C ATOM 383 O PRO A 28 12.501 0.630 -5.286 1.00 0.00 O ATOM 384 CB PRO A 28 13.373 3.452 -4.362 1.00 0.00 C ATOM 385 CG PRO A 28 14.107 2.717 -3.294 1.00 0.00 C ATOM 386 CD PRO A 28 13.073 2.395 -2.248 1.00 0.00 C ATOM 0 HA PRO A 28 11.199 3.496 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.876 3.361 -5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.305 4.516 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.566 1.809 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.910 3.326 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.305 1.466 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.010 3.177 -1.492 1.00 0.00 H new ATOM 394 N GLY A 29 11.162 1.958 -6.512 1.00 0.00 N ATOM 395 CA GLY A 29 11.041 0.990 -7.587 1.00 0.00 C ATOM 396 C GLY A 29 10.107 -0.152 -7.237 1.00 0.00 C ATOM 397 O GLY A 29 10.195 -1.234 -7.816 1.00 0.00 O ATOM 0 H GLY A 29 10.642 2.824 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.677 1.491 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.027 0.590 -7.824 1.00 0.00 H new ATOM 401 N ALA A 30 9.211 0.089 -6.285 1.00 0.00 N ATOM 402 CA ALA A 30 8.230 -0.913 -5.888 1.00 0.00 C ATOM 403 C ALA A 30 7.064 -0.960 -6.870 1.00 0.00 C ATOM 404 O ALA A 30 6.570 0.077 -7.313 1.00 0.00 O ATOM 405 CB ALA A 30 7.726 -0.629 -4.481 1.00 0.00 C ATOM 0 H ALA A 30 9.145 0.970 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 30 8.718 -1.887 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.994 -1.385 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.563 -0.654 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.260 0.356 -4.453 1.00 0.00 H new ATOM 411 N ALA A 31 6.631 -2.169 -7.209 1.00 0.00 N ATOM 412 CA ALA A 31 5.457 -2.352 -8.054 1.00 0.00 C ATOM 413 C ALA A 31 4.198 -2.536 -7.213 1.00 0.00 C ATOM 414 O ALA A 31 4.080 -3.501 -6.457 1.00 0.00 O ATOM 415 CB ALA A 31 5.653 -3.541 -8.981 1.00 0.00 C ATOM 0 H ALA A 31 7.076 -3.037 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 31 5.331 -1.453 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.768 -3.665 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.523 -3.369 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.808 -4.443 -8.388 1.00 0.00 H new ATOM 421 N VAL A 32 3.260 -1.604 -7.348 1.00 0.00 N ATOM 422 CA VAL A 32 2.043 -1.623 -6.544 1.00 0.00 C ATOM 423 C VAL A 32 0.802 -1.697 -7.425 1.00 0.00 C ATOM 424 O VAL A 32 0.580 -0.834 -8.277 1.00 0.00 O ATOM 425 CB VAL A 32 1.944 -0.380 -5.638 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.659 -0.414 -4.825 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.153 -0.292 -4.720 1.00 0.00 C ATOM 0 H VAL A 32 3.319 -0.827 -8.006 1.00 0.00 H new ATOM 0 HA VAL A 32 2.094 -2.514 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 32 1.927 0.507 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.606 0.471 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.198 -0.430 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.646 -1.308 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.066 0.592 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.200 -1.183 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.061 -0.221 -5.319 1.00 0.00 H new ATOM 437 N HIS A 33 -0.003 -2.733 -7.218 1.00 0.00 N ATOM 438 CA HIS A 33 -1.284 -2.855 -7.904 1.00 0.00 C ATOM 439 C HIS A 33 -2.440 -2.821 -6.907 1.00 0.00 C ATOM 440 O HIS A 33 -2.691 -3.795 -6.197 1.00 0.00 O ATOM 441 CB HIS A 33 -1.339 -4.145 -8.728 1.00 0.00 C ATOM 442 CG HIS A 33 -0.237 -4.263 -9.734 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.273 -3.626 -10.956 1.00 0.00 N ATOM 444 CD2 HIS A 33 0.933 -4.944 -9.699 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.828 -3.909 -11.630 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.575 -4.708 -10.890 1.00 0.00 N ATOM 0 H HIS A 33 0.209 -3.501 -6.581 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.383 -2.005 -8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.296 -4.999 -8.053 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.298 -4.195 -9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.294 -5.558 -8.887 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.075 -3.548 -12.618 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.482 -5.088 -11.159 1.00 0.00 H new ATOM 453 N ALA A 34 -3.141 -1.692 -6.859 1.00 0.00 N ATOM 454 CA ALA A 34 -4.179 -1.479 -5.858 1.00 0.00 C ATOM 455 C ALA A 34 -5.560 -1.440 -6.500 1.00 0.00 C ATOM 456 O ALA A 34 -5.755 -0.807 -7.539 1.00 0.00 O ATOM 457 CB ALA A 34 -3.914 -0.193 -5.089 1.00 0.00 C ATOM 0 H ALA A 34 -3.008 -0.911 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.156 -2.317 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.697 -0.046 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.947 -0.260 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.908 0.650 -5.780 1.00 0.00 H new ATOM 463 N ASP A 35 -6.518 -2.119 -5.877 1.00 0.00 N ATOM 464 CA ASP A 35 -7.903 -2.075 -6.326 1.00 0.00 C ATOM 465 C ASP A 35 -8.845 -1.804 -5.158 1.00 0.00 C ATOM 466 O ASP A 35 -9.105 -2.672 -4.324 1.00 0.00 O ATOM 467 CB ASP A 35 -8.286 -3.384 -7.020 1.00 0.00 C ATOM 468 CG ASP A 35 -9.720 -3.430 -7.531 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.499 -2.597 -7.132 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.986 -4.194 -8.428 1.00 0.00 O ATOM 0 H ASP A 35 -6.359 -2.707 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.998 -1.259 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.609 -3.548 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.135 -4.208 -6.323 1.00 0.00 H new ATOM 475 N PRO A 36 -9.371 -0.571 -5.094 1.00 0.00 N ATOM 476 CA PRO A 36 -10.227 -0.133 -3.988 1.00 0.00 C ATOM 477 C PRO A 36 -11.643 -0.693 -4.093 1.00 0.00 C ATOM 478 O PRO A 36 -12.348 -0.816 -3.092 1.00 0.00 O ATOM 479 CB PRO A 36 -10.244 1.390 -4.134 1.00 0.00 C ATOM 480 CG PRO A 36 -9.986 1.635 -5.581 1.00 0.00 C ATOM 481 CD PRO A 36 -9.048 0.547 -6.024 1.00 0.00 C ATOM 0 HA PRO A 36 -9.855 -0.479 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.203 1.806 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.480 1.856 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.913 1.607 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.544 2.619 -5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.216 0.268 -7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.005 0.854 -5.940 1.00 0.00 H new ATOM 489 N ALA A 37 -12.052 -1.029 -5.312 1.00 0.00 N ATOM 490 CA ALA A 37 -13.322 -1.710 -5.531 1.00 0.00 C ATOM 491 C ALA A 37 -13.287 -3.127 -4.969 1.00 0.00 C ATOM 492 O ALA A 37 -14.289 -3.627 -4.457 1.00 0.00 O ATOM 493 CB ALA A 37 -13.660 -1.737 -7.015 1.00 0.00 C ATOM 0 H ALA A 37 -11.522 -0.841 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.099 -1.156 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.611 -2.249 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.735 -0.716 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.876 -2.265 -7.557 1.00 0.00 H new ATOM 499 N SER A 38 -12.130 -3.771 -5.070 1.00 0.00 N ATOM 500 CA SER A 38 -11.940 -5.099 -4.498 1.00 0.00 C ATOM 501 C SER A 38 -11.310 -5.009 -3.112 1.00 0.00 C ATOM 502 O SER A 38 -11.143 -6.018 -2.428 1.00 0.00 O ATOM 503 CB SER A 38 -11.084 -5.948 -5.417 1.00 0.00 C ATOM 504 OG SER A 38 -11.694 -6.158 -6.660 1.00 0.00 O ATOM 0 H SER A 38 -11.308 -3.395 -5.543 1.00 0.00 H new ATOM 0 HA SER A 38 -12.917 -5.571 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.119 -5.462 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.888 -6.910 -4.943 1.00 0.00 H new ATOM 0 HG SER A 38 -11.250 -5.609 -7.339 1.00 0.00 H new ATOM 510 N ARG A 39 -10.961 -3.793 -2.705 1.00 0.00 N ATOM 511 CA ARG A 39 -10.337 -3.571 -1.407 1.00 0.00 C ATOM 512 C ARG A 39 -9.105 -4.453 -1.237 1.00 0.00 C ATOM 513 O ARG A 39 -8.856 -4.995 -0.160 1.00 0.00 O ATOM 514 CB ARG A 39 -11.318 -3.753 -0.259 1.00 0.00 C ATOM 515 CG ARG A 39 -12.498 -2.794 -0.268 1.00 0.00 C ATOM 516 CD ARG A 39 -13.406 -2.929 0.901 1.00 0.00 C ATOM 517 NE ARG A 39 -12.813 -2.546 2.172 1.00 0.00 N ATOM 518 CZ ARG A 39 -12.624 -1.274 2.576 1.00 0.00 C ATOM 519 NH1 ARG A 39 -12.942 -0.262 1.799 1.00 0.00 N ATOM 520 NH2 ARG A 39 -12.085 -1.071 3.766 1.00 0.00 N ATOM 0 H ARG A 39 -11.100 -2.946 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.013 -2.531 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.698 -4.774 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.780 -3.636 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.120 -1.772 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.073 -2.953 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.292 -2.318 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.740 -3.964 0.968 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.519 -3.292 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.338 -0.433 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.792 0.694 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.825 -1.866 4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.929 -0.120 4.100 1.00 0.00 H new ATOM 534 N THR A 40 -8.331 -4.594 -2.312 1.00 0.00 N ATOM 535 CA THR A 40 -7.175 -5.480 -2.309 1.00 0.00 C ATOM 536 C THR A 40 -5.960 -4.798 -2.927 1.00 0.00 C ATOM 537 O THR A 40 -6.045 -4.213 -4.007 1.00 0.00 O ATOM 538 CB THR A 40 -7.462 -6.787 -3.073 1.00 0.00 C ATOM 539 OG1 THR A 40 -8.603 -7.438 -2.498 1.00 0.00 O ATOM 540 CG2 THR A 40 -6.263 -7.719 -3.004 1.00 0.00 C ATOM 0 H THR A 40 -8.486 -4.105 -3.194 1.00 0.00 H new ATOM 0 HA THR A 40 -6.964 -5.719 -1.267 1.00 0.00 H new ATOM 0 HB THR A 40 -7.661 -6.545 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.392 -6.867 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.484 -8.637 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.397 -7.231 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.048 -7.958 -1.963 1.00 0.00 H new ATOM 548 N VAL A 41 -4.827 -4.879 -2.236 1.00 0.00 N ATOM 549 CA VAL A 41 -3.580 -4.320 -2.746 1.00 0.00 C ATOM 550 C VAL A 41 -2.506 -5.396 -2.869 1.00 0.00 C ATOM 551 O VAL A 41 -2.186 -6.083 -1.899 1.00 0.00 O ATOM 552 CB VAL A 41 -3.058 -3.187 -1.842 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.754 -2.628 -2.388 1.00 0.00 C ATOM 554 CG2 VAL A 41 -4.098 -2.083 -1.717 1.00 0.00 C ATOM 0 H VAL A 41 -4.747 -5.326 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.797 -3.912 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.869 -3.598 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.400 -1.829 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.007 -3.421 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.919 -2.233 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.712 -1.291 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.317 -1.676 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.011 -2.490 -1.282 1.00 0.00 H new ATOM 564 N VAL A 42 -1.953 -5.536 -4.068 1.00 0.00 N ATOM 565 CA VAL A 42 -0.883 -6.497 -4.310 1.00 0.00 C ATOM 566 C VAL A 42 0.426 -5.791 -4.643 1.00 0.00 C ATOM 567 O VAL A 42 0.501 -5.010 -5.592 1.00 0.00 O ATOM 568 CB VAL A 42 -1.238 -7.463 -5.455 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.092 -8.430 -5.712 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.514 -8.226 -5.132 1.00 0.00 C ATOM 0 H VAL A 42 -2.228 -4.996 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.761 -7.069 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.405 -6.878 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.361 -9.105 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.802 -7.870 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.105 -9.009 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.750 -8.904 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.373 -8.800 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.335 -7.522 -4.996 1.00 0.00 H new ATOM 580 N VAL A 43 1.460 -6.068 -3.853 1.00 0.00 N ATOM 581 CA VAL A 43 2.734 -5.372 -3.989 1.00 0.00 C ATOM 582 C VAL A 43 3.871 -6.354 -4.244 1.00 0.00 C ATOM 583 O VAL A 43 3.970 -7.390 -3.588 1.00 0.00 O ATOM 584 CB VAL A 43 3.060 -4.537 -2.736 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.362 -3.776 -2.926 1.00 0.00 C ATOM 586 CG2 VAL A 43 1.923 -3.576 -2.426 1.00 0.00 C ATOM 0 H VAL A 43 1.440 -6.769 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 43 2.637 -4.702 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 43 3.178 -5.216 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.576 -3.192 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.174 -4.482 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.271 -3.108 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.170 -2.994 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.775 -2.903 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.008 -4.141 -2.247 1.00 0.00 H new ATOM 596 N GLY A 44 4.730 -6.021 -5.203 1.00 0.00 N ATOM 597 CA GLY A 44 5.834 -6.897 -5.548 1.00 0.00 C ATOM 598 C GLY A 44 6.936 -6.880 -4.506 1.00 0.00 C ATOM 599 O GLY A 44 6.703 -6.519 -3.354 1.00 0.00 O ATOM 0 H GLY A 44 4.681 -5.160 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.463 -7.915 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.245 -6.596 -6.512 1.00 0.00 H new ATOM 603 N GLY A 45 8.138 -7.273 -4.912 1.00 0.00 N ATOM 604 CA GLY A 45 9.242 -7.374 -3.975 1.00 0.00 C ATOM 605 C GLY A 45 9.533 -6.060 -3.279 1.00 0.00 C ATOM 606 O GLY A 45 9.844 -5.061 -3.928 1.00 0.00 O ATOM 0 H GLY A 45 8.368 -7.524 -5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.012 -8.134 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.135 -7.707 -4.505 1.00 0.00 H new ATOM 610 N VAL A 46 9.432 -6.060 -1.953 1.00 0.00 N ATOM 611 CA VAL A 46 9.675 -4.854 -1.169 1.00 0.00 C ATOM 612 C VAL A 46 10.507 -5.164 0.070 1.00 0.00 C ATOM 613 O VAL A 46 10.756 -6.327 0.390 1.00 0.00 O ATOM 614 CB VAL A 46 8.357 -4.187 -0.737 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.613 -3.643 -1.948 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.483 -5.173 0.024 1.00 0.00 C ATOM 0 H VAL A 46 9.184 -6.880 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 46 10.225 -4.166 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 46 8.595 -3.355 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.684 -3.175 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.234 -2.904 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.388 -4.460 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.556 -4.683 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.254 -6.025 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.012 -5.518 0.912 1.00 0.00 H new ATOM 626 N SER A 47 10.937 -4.115 0.765 1.00 0.00 N ATOM 627 CA SER A 47 11.671 -4.275 2.015 1.00 0.00 C ATOM 628 C SER A 47 10.786 -4.896 3.090 1.00 0.00 C ATOM 629 O SER A 47 9.620 -5.206 2.846 1.00 0.00 O ATOM 630 CB SER A 47 12.211 -2.938 2.481 1.00 0.00 C ATOM 631 OG SER A 47 11.191 -2.080 2.913 1.00 0.00 O ATOM 0 H SER A 47 10.790 -3.146 0.484 1.00 0.00 H new ATOM 0 HA SER A 47 12.509 -4.949 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.919 -3.097 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.761 -2.466 1.667 1.00 0.00 H new ATOM 0 HG SER A 47 11.581 -1.230 3.207 1.00 0.00 H new ATOM 637 N ASP A 48 11.348 -5.074 4.281 1.00 0.00 N ATOM 638 CA ASP A 48 10.649 -5.760 5.362 1.00 0.00 C ATOM 639 C ASP A 48 9.169 -5.391 5.371 1.00 0.00 C ATOM 640 O ASP A 48 8.811 -4.214 5.308 1.00 0.00 O ATOM 641 CB ASP A 48 11.286 -5.425 6.712 1.00 0.00 C ATOM 642 CG ASP A 48 10.661 -6.146 7.898 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.684 -6.831 7.706 1.00 0.00 O ATOM 644 OD2 ASP A 48 11.252 -6.136 8.953 1.00 0.00 O ATOM 0 H ASP A 48 12.286 -4.753 4.522 1.00 0.00 H new ATOM 0 HA ASP A 48 10.735 -6.833 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.347 -5.671 6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.215 -4.350 6.877 1.00 0.00 H new ATOM 649 N ALA A 49 8.311 -6.404 5.451 1.00 0.00 N ATOM 650 CA ALA A 49 6.870 -6.191 5.409 1.00 0.00 C ATOM 651 C ALA A 49 6.424 -5.239 6.513 1.00 0.00 C ATOM 652 O ALA A 49 5.416 -4.545 6.378 1.00 0.00 O ATOM 653 CB ALA A 49 6.137 -7.519 5.524 1.00 0.00 C ATOM 0 H ALA A 49 8.590 -7.381 5.545 1.00 0.00 H new ATOM 0 HA ALA A 49 6.622 -5.735 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.061 -7.345 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.425 -8.167 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.398 -7.998 6.467 1.00 0.00 H new ATOM 659 N ALA A 50 7.180 -5.212 7.606 1.00 0.00 N ATOM 660 CA ALA A 50 6.927 -4.266 8.687 1.00 0.00 C ATOM 661 C ALA A 50 7.055 -2.827 8.198 1.00 0.00 C ATOM 662 O ALA A 50 6.270 -1.959 8.582 1.00 0.00 O ATOM 663 CB ALA A 50 7.881 -4.520 9.843 1.00 0.00 C ATOM 0 H ALA A 50 7.972 -5.834 7.766 1.00 0.00 H new ATOM 0 HA ALA A 50 5.905 -4.414 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.681 -3.807 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.738 -5.534 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.909 -4.401 9.499 1.00 0.00 H new ATOM 669 N HIS A 51 8.049 -2.581 7.352 1.00 0.00 N ATOM 670 CA HIS A 51 8.353 -1.227 6.902 1.00 0.00 C ATOM 671 C HIS A 51 7.255 -0.702 5.979 1.00 0.00 C ATOM 672 O HIS A 51 6.822 0.443 6.104 1.00 0.00 O ATOM 673 CB HIS A 51 9.708 -1.183 6.188 1.00 0.00 C ATOM 674 CG HIS A 51 10.872 -1.451 7.090 1.00 0.00 C ATOM 675 ND1 HIS A 51 12.132 -1.742 6.611 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.968 -1.474 8.440 1.00 0.00 C ATOM 677 CE1 HIS A 51 12.953 -1.932 7.629 1.00 0.00 C ATOM 678 NE2 HIS A 51 12.271 -1.775 8.748 1.00 0.00 N ATOM 0 H HIS A 51 8.658 -3.301 6.964 1.00 0.00 H new ATOM 0 HA HIS A 51 8.403 -0.585 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.708 -1.917 5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.834 -0.203 5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.169 -1.290 9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.003 -2.174 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.651 -1.863 9.690 1.00 0.00 H new ATOM 685 N ILE A 52 6.813 -1.548 5.054 1.00 0.00 N ATOM 686 CA ILE A 52 5.792 -1.158 4.090 1.00 0.00 C ATOM 687 C ILE A 52 4.440 -0.967 4.768 1.00 0.00 C ATOM 688 O ILE A 52 3.644 -0.121 4.360 1.00 0.00 O ATOM 689 CB ILE A 52 5.651 -2.200 2.965 1.00 0.00 C ATOM 690 CG1 ILE A 52 4.786 -1.645 1.829 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.059 -3.491 3.507 1.00 0.00 C ATOM 692 CD1 ILE A 52 4.750 -2.528 0.602 1.00 0.00 C ATOM 0 H ILE A 52 7.146 -2.507 4.952 1.00 0.00 H new ATOM 0 HA ILE A 52 6.113 -0.211 3.656 1.00 0.00 H new ATOM 0 HB ILE A 52 6.642 -2.418 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.769 -1.505 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.161 -0.661 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.966 -4.216 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.711 -3.893 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.074 -3.291 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.118 -2.069 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.760 -2.648 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.346 -3.505 0.868 1.00 0.00 H new ATOM 704 N ALA A 53 4.189 -1.757 5.807 1.00 0.00 N ATOM 705 CA ALA A 53 2.988 -1.594 6.617 1.00 0.00 C ATOM 706 C ALA A 53 3.055 -0.316 7.448 1.00 0.00 C ATOM 707 O ALA A 53 2.049 0.365 7.638 1.00 0.00 O ATOM 708 CB ALA A 53 2.792 -2.803 7.520 1.00 0.00 C ATOM 0 H ALA A 53 4.801 -2.516 6.107 1.00 0.00 H new ATOM 0 HA ALA A 53 2.134 -1.515 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.892 -2.668 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.690 -3.700 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.654 -2.908 8.179 1.00 0.00 H new ATOM 714 N GLU A 54 4.249 0.000 7.942 1.00 0.00 N ATOM 715 CA GLU A 54 4.437 1.171 8.790 1.00 0.00 C ATOM 716 C GLU A 54 4.193 2.457 8.005 1.00 0.00 C ATOM 717 O GLU A 54 3.535 3.378 8.492 1.00 0.00 O ATOM 718 CB GLU A 54 5.845 1.179 9.390 1.00 0.00 C ATOM 719 CG GLU A 54 6.120 2.343 10.331 1.00 0.00 C ATOM 720 CD GLU A 54 7.501 2.255 10.920 1.00 0.00 C ATOM 721 OE1 GLU A 54 8.198 1.318 10.612 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.901 3.180 11.587 1.00 0.00 O ATOM 0 H GLU A 54 5.098 -0.538 7.770 1.00 0.00 H new ATOM 0 HA GLU A 54 3.710 1.120 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.002 0.246 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.573 1.204 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.012 3.284 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.380 2.349 11.132 1.00 0.00 H new ATOM 729 N ILE A 55 4.726 2.512 6.790 1.00 0.00 N ATOM 730 CA ILE A 55 4.637 3.715 5.971 1.00 0.00 C ATOM 731 C ILE A 55 3.214 3.934 5.469 1.00 0.00 C ATOM 732 O ILE A 55 2.774 5.070 5.294 1.00 0.00 O ATOM 733 CB ILE A 55 5.593 3.648 4.766 1.00 0.00 C ATOM 734 CG1 ILE A 55 5.764 5.037 4.143 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.080 2.658 3.733 1.00 0.00 C ATOM 736 CD1 ILE A 55 6.359 6.059 5.084 1.00 0.00 C ATOM 0 H ILE A 55 5.224 1.738 6.350 1.00 0.00 H new ATOM 0 HA ILE A 55 4.927 4.552 6.606 1.00 0.00 H new ATOM 0 HB ILE A 55 6.567 3.304 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.401 4.954 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.792 5.394 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.768 2.624 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.008 1.668 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.095 2.972 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.449 7.017 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.712 6.173 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.346 5.726 5.406 1.00 0.00 H new ATOM 748 N ILE A 56 2.498 2.837 5.239 1.00 0.00 N ATOM 749 CA ILE A 56 1.078 2.906 4.920 1.00 0.00 C ATOM 750 C ILE A 56 0.274 3.449 6.095 1.00 0.00 C ATOM 751 O ILE A 56 -0.652 4.240 5.918 1.00 0.00 O ATOM 752 CB ILE A 56 0.522 1.526 4.522 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.112 1.077 3.183 1.00 0.00 C ATOM 754 CG2 ILE A 56 -0.998 1.566 4.451 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.853 -0.376 2.858 1.00 0.00 C ATOM 0 H ILE A 56 2.879 1.891 5.268 1.00 0.00 H new ATOM 0 HA ILE A 56 0.979 3.585 4.073 1.00 0.00 H new ATOM 0 HB ILE A 56 0.812 0.803 5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.697 1.697 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.188 1.251 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.375 0.583 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.401 1.843 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.308 2.301 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.301 -0.619 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.292 -1.006 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.222 -0.553 2.813 1.00 0.00 H new ATOM 767 N THR A 57 0.638 3.021 7.301 1.00 0.00 N ATOM 768 CA THR A 57 0.072 3.592 8.518 1.00 0.00 C ATOM 769 C THR A 57 0.424 5.070 8.647 1.00 0.00 C ATOM 770 O THR A 57 -0.386 5.872 9.110 1.00 0.00 O ATOM 771 CB THR A 57 0.561 2.845 9.772 1.00 0.00 C ATOM 772 OG1 THR A 57 0.129 1.479 9.717 1.00 0.00 O ATOM 773 CG2 THR A 57 0.009 3.497 11.031 1.00 0.00 C ATOM 0 H THR A 57 1.322 2.281 7.461 1.00 0.00 H new ATOM 0 HA THR A 57 -1.010 3.485 8.443 1.00 0.00 H new ATOM 0 HB THR A 57 1.650 2.888 9.800 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.675 0.989 9.067 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.365 2.955 11.907 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.346 4.532 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.080 3.471 11.007 1.00 0.00 H new ATOM 781 N ALA A 58 1.637 5.423 8.235 1.00 0.00 N ATOM 782 CA ALA A 58 2.061 6.816 8.216 1.00 0.00 C ATOM 783 C ALA A 58 1.217 7.635 7.246 1.00 0.00 C ATOM 784 O ALA A 58 1.049 8.842 7.419 1.00 0.00 O ATOM 785 CB ALA A 58 3.534 6.915 7.847 1.00 0.00 C ATOM 0 H ALA A 58 2.343 4.763 7.910 1.00 0.00 H new ATOM 0 HA ALA A 58 1.919 7.225 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.837 7.962 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.130 6.372 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.692 6.482 6.859 1.00 0.00 H new ATOM 791 N ALA A 59 0.687 6.970 6.223 1.00 0.00 N ATOM 792 CA ALA A 59 -0.200 7.620 5.267 1.00 0.00 C ATOM 793 C ALA A 59 -1.627 7.691 5.802 1.00 0.00 C ATOM 794 O ALA A 59 -2.505 8.284 5.179 1.00 0.00 O ATOM 795 CB ALA A 59 -0.170 6.884 3.936 1.00 0.00 C ATOM 0 H ALA A 59 0.857 5.982 6.036 1.00 0.00 H new ATOM 0 HA ALA A 59 0.154 8.640 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.837 7.380 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.846 6.889 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.497 5.855 4.082 1.00 0.00 H new ATOM 801 N GLY A 60 -1.850 7.080 6.962 1.00 0.00 N ATOM 802 CA GLY A 60 -3.146 7.169 7.611 1.00 0.00 C ATOM 803 C GLY A 60 -4.068 6.032 7.221 1.00 0.00 C ATOM 804 O GLY A 60 -5.276 6.097 7.449 1.00 0.00 O ATOM 0 H GLY A 60 -1.157 6.525 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.008 7.167 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.615 8.118 7.351 1.00 0.00 H new ATOM 808 N TYR A 61 -3.499 4.987 6.629 1.00 0.00 N ATOM 809 CA TYR A 61 -4.280 3.832 6.203 1.00 0.00 C ATOM 810 C TYR A 61 -3.902 2.592 7.010 1.00 0.00 C ATOM 811 O TYR A 61 -2.734 2.380 7.336 1.00 0.00 O ATOM 812 CB TYR A 61 -4.080 3.570 4.709 1.00 0.00 C ATOM 813 CG TYR A 61 -4.578 4.687 3.820 1.00 0.00 C ATOM 814 CD1 TYR A 61 -5.887 4.701 3.359 1.00 0.00 C ATOM 815 CD2 TYR A 61 -3.738 5.725 3.440 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.347 5.719 2.547 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.187 6.748 2.628 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.493 6.741 2.183 1.00 0.00 C ATOM 819 OH TYR A 61 -5.946 7.757 1.373 1.00 0.00 O ATOM 0 H TYR A 61 -2.500 4.916 6.434 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.332 4.052 6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.019 3.411 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.594 2.647 4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.557 3.902 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.715 5.733 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.369 5.716 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.520 7.548 2.343 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.925 7.729 1.330 1.00 0.00 H new ATOM 829 N THR A 62 -4.901 1.773 7.326 1.00 0.00 N ATOM 830 CA THR A 62 -4.677 0.560 8.105 1.00 0.00 C ATOM 831 C THR A 62 -4.616 -0.667 7.203 1.00 0.00 C ATOM 832 O THR A 62 -5.637 -1.225 6.804 1.00 0.00 O ATOM 833 CB THR A 62 -5.778 0.356 9.161 1.00 0.00 C ATOM 834 OG1 THR A 62 -5.852 1.510 10.009 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.484 -0.872 10.008 1.00 0.00 C ATOM 0 H THR A 62 -5.872 1.927 7.055 1.00 0.00 H new ATOM 0 HA THR A 62 -3.720 0.683 8.613 1.00 0.00 H new ATOM 0 HB THR A 62 -6.729 0.212 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.264 2.251 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.273 -1.000 10.749 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.440 -1.753 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.528 -0.744 10.515 1.00 0.00 H new