USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 Single : A 1 LEU N :NH3+ -145:sc= -0.0151 (180deg=-0.357) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0481 USER MOD Single : A 13 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.52) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 51:sc= 0.455 USER MOD Single : A 21 SER OG : rot -19:sc= 0.352 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.124 (180deg=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.00366 X(o=0.0037,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.63) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -30:sc= 0.358 USER MOD Single : A 64 GLN : amide:sc= 0.0239 X(o=0.024,f=0) USER MOD Single : A 67 MET CE :methyl -167:sc= -2.42 (180deg=-2.87) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.773 5.857 4.114 1.00 0.00 N ATOM 2 CA LEU A 1 10.396 6.293 3.874 1.00 0.00 C ATOM 3 C LEU A 1 9.671 5.317 2.991 1.00 0.00 C ATOM 4 O LEU A 1 10.221 4.806 2.016 1.00 0.00 O ATOM 5 CB LEU A 1 10.358 7.690 3.198 1.00 0.00 C ATOM 6 CG LEU A 1 10.836 8.874 4.076 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.032 10.149 3.234 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.900 9.138 5.270 1.00 0.00 C ATOM 0 H1 LEU A 1 12.056 6.118 5.080 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.835 4.825 4.002 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.407 6.318 3.431 1.00 0.00 H new ATOM 0 HA LEU A 1 9.906 6.347 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.974 7.656 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.336 7.890 2.876 1.00 0.00 H new ATOM 0 HG LEU A 1 11.802 8.586 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.368 10.962 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.780 9.964 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.087 10.424 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.281 9.977 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.901 9.374 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.855 8.250 5.900 1.00 0.00 H new ATOM 22 N CYS A 2 8.357 5.098 3.310 1.00 0.00 N ATOM 23 CA CYS A 2 7.352 4.276 2.667 1.00 0.00 C ATOM 24 C CYS A 2 7.157 4.942 1.348 1.00 0.00 C ATOM 25 O CYS A 2 7.083 6.165 1.292 1.00 0.00 O ATOM 26 CB CYS A 2 6.045 4.161 3.507 1.00 0.00 C ATOM 27 SG CYS A 2 4.718 3.187 2.722 1.00 0.00 S ATOM 0 H CYS A 2 7.959 5.563 4.126 1.00 0.00 H new ATOM 0 HA CYS A 2 7.658 3.235 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.287 3.711 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.670 5.164 3.709 1.00 0.00 H new ATOM 32 N LEU A 3 7.096 4.155 0.256 1.00 0.00 N ATOM 33 CA LEU A 3 7.023 4.717 -1.064 1.00 0.00 C ATOM 34 C LEU A 3 5.649 4.568 -1.637 1.00 0.00 C ATOM 35 O LEU A 3 5.428 4.603 -2.848 1.00 0.00 O ATOM 36 CB LEU A 3 8.049 4.036 -1.972 1.00 0.00 C ATOM 37 CG LEU A 3 9.505 4.393 -1.593 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.533 3.443 -2.229 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.850 5.864 -1.902 1.00 0.00 C ATOM 0 H LEU A 3 7.097 3.135 0.284 1.00 0.00 H new ATOM 0 HA LEU A 3 7.247 5.782 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.917 2.955 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.864 4.327 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 3 9.567 4.261 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.538 3.741 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.342 2.423 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.449 3.491 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.883 6.063 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.725 6.051 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.186 6.520 -1.339 1.00 0.00 H new ATOM 51 N VAL A 4 4.694 4.424 -0.711 1.00 0.00 N ATOM 52 CA VAL A 4 3.294 4.241 -0.959 1.00 0.00 C ATOM 53 C VAL A 4 2.547 5.356 -0.314 1.00 0.00 C ATOM 54 O VAL A 4 1.978 6.201 -0.999 1.00 0.00 O ATOM 55 CB VAL A 4 2.765 2.879 -0.442 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.318 2.601 -0.877 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.760 1.750 -0.744 1.00 0.00 C ATOM 0 H VAL A 4 4.911 4.436 0.286 1.00 0.00 H new ATOM 0 HA VAL A 4 3.141 4.244 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 4 2.701 2.929 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.000 1.634 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.665 3.382 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.261 2.589 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.363 0.806 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.913 1.678 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.711 1.963 -0.256 1.00 0.00 H new ATOM 67 N CYS A 5 2.502 5.336 1.035 1.00 0.00 N ATOM 68 CA CYS A 5 1.749 6.281 1.821 1.00 0.00 C ATOM 69 C CYS A 5 2.700 7.236 2.471 1.00 0.00 C ATOM 70 O CYS A 5 2.355 7.862 3.466 1.00 0.00 O ATOM 71 CB CYS A 5 0.780 5.626 2.856 1.00 0.00 C ATOM 72 SG CYS A 5 1.490 4.649 4.245 1.00 0.00 S ATOM 0 H CYS A 5 3.001 4.646 1.597 1.00 0.00 H new ATOM 0 HA CYS A 5 1.087 6.819 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.174 6.422 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.103 4.973 2.306 1.00 0.00 H new ATOM 77 N SER A 6 3.921 7.371 1.890 1.00 0.00 N ATOM 78 CA SER A 6 4.942 8.380 2.198 1.00 0.00 C ATOM 79 C SER A 6 5.137 8.695 3.665 1.00 0.00 C ATOM 80 O SER A 6 5.095 9.840 4.112 1.00 0.00 O ATOM 81 CB SER A 6 4.760 9.646 1.337 1.00 0.00 C ATOM 82 OG SER A 6 4.236 9.341 0.048 1.00 0.00 O ATOM 0 H SER A 6 4.227 6.736 1.152 1.00 0.00 H new ATOM 0 HA SER A 6 5.885 7.909 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.090 10.338 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.719 10.152 1.228 1.00 0.00 H new ATOM 0 HG SER A 6 4.133 10.168 -0.467 1.00 0.00 H new ATOM 88 N ASP A 7 5.313 7.597 4.422 1.00 0.00 N ATOM 89 CA ASP A 7 5.333 7.540 5.864 1.00 0.00 C ATOM 90 C ASP A 7 6.708 7.075 6.248 1.00 0.00 C ATOM 91 O ASP A 7 7.482 6.682 5.388 1.00 0.00 O ATOM 92 CB ASP A 7 4.218 6.523 6.268 1.00 0.00 C ATOM 93 CG ASP A 7 3.986 6.286 7.770 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.656 7.267 8.487 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.149 5.116 8.211 1.00 0.00 O ATOM 0 H ASP A 7 5.452 6.678 4.001 1.00 0.00 H new ATOM 0 HA ASP A 7 5.139 8.489 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.279 6.862 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.455 5.563 5.808 1.00 0.00 H new ATOM 100 N GLU A 8 7.035 7.069 7.567 1.00 0.00 N ATOM 101 CA GLU A 8 8.292 6.622 8.139 1.00 0.00 C ATOM 102 C GLU A 8 8.367 5.114 7.978 1.00 0.00 C ATOM 103 O GLU A 8 7.651 4.387 8.667 1.00 0.00 O ATOM 104 CB GLU A 8 8.507 7.062 9.617 1.00 0.00 C ATOM 105 CG GLU A 8 7.347 7.895 10.217 1.00 0.00 C ATOM 106 CD GLU A 8 7.669 8.346 11.645 1.00 0.00 C ATOM 107 OE1 GLU A 8 7.797 7.463 12.535 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.785 9.582 11.865 1.00 0.00 O ATOM 0 H GLU A 8 6.383 7.396 8.280 1.00 0.00 H new ATOM 0 HA GLU A 8 9.107 7.105 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.653 6.172 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.426 7.645 9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.161 8.767 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.432 7.302 10.218 1.00 0.00 H new ATOM 115 N ALA A 9 9.223 4.621 7.040 1.00 0.00 N ATOM 116 CA ALA A 9 9.335 3.209 6.728 1.00 0.00 C ATOM 117 C ALA A 9 10.358 2.540 7.584 1.00 0.00 C ATOM 118 O ALA A 9 11.365 3.132 7.971 1.00 0.00 O ATOM 119 CB ALA A 9 9.710 2.902 5.265 1.00 0.00 C ATOM 0 H ALA A 9 9.847 5.212 6.490 1.00 0.00 H new ATOM 0 HA ALA A 9 8.332 2.825 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.771 1.823 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.949 3.312 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.675 3.353 5.034 1.00 0.00 H new ATOM 125 N SER A 10 10.080 1.246 7.870 1.00 0.00 N ATOM 126 CA SER A 10 10.939 0.387 8.632 1.00 0.00 C ATOM 127 C SER A 10 10.430 -1.018 8.423 1.00 0.00 C ATOM 128 O SER A 10 10.120 -1.730 9.378 1.00 0.00 O ATOM 129 CB SER A 10 11.067 0.758 10.138 1.00 0.00 C ATOM 130 OG SER A 10 9.801 0.952 10.762 1.00 0.00 O ATOM 0 H SER A 10 9.225 0.785 7.558 1.00 0.00 H new ATOM 0 HA SER A 10 11.963 0.499 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.608 -0.032 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.660 1.668 10.236 1.00 0.00 H new ATOM 0 HG SER A 10 9.933 1.181 11.706 1.00 0.00 H new ATOM 136 N GLY A 11 10.339 -1.454 7.141 1.00 0.00 N ATOM 137 CA GLY A 11 9.888 -2.790 6.839 1.00 0.00 C ATOM 138 C GLY A 11 9.696 -2.950 5.366 1.00 0.00 C ATOM 139 O GLY A 11 8.579 -2.830 4.868 1.00 0.00 O ATOM 0 H GLY A 11 10.574 -0.889 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.616 -3.517 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.952 -2.992 7.359 1.00 0.00 H new ATOM 143 N CYS A 12 10.798 -3.269 4.639 1.00 0.00 N ATOM 144 CA CYS A 12 10.821 -3.528 3.208 1.00 0.00 C ATOM 145 C CYS A 12 10.729 -5.027 3.065 1.00 0.00 C ATOM 146 O CYS A 12 11.309 -5.740 3.885 1.00 0.00 O ATOM 147 CB CYS A 12 12.102 -2.982 2.510 1.00 0.00 C ATOM 148 SG CYS A 12 13.704 -3.446 3.275 1.00 0.00 S ATOM 0 H CYS A 12 11.721 -3.351 5.066 1.00 0.00 H new ATOM 0 HA CYS A 12 9.994 -3.012 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.103 -3.329 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.039 -1.894 2.481 1.00 0.00 H new ATOM 0 HG CYS A 12 14.679 -2.926 2.590 1.00 0.00 H new ATOM 154 N HIS A 13 10.001 -5.559 2.041 1.00 0.00 N ATOM 155 CA HIS A 13 9.894 -7.012 1.957 1.00 0.00 C ATOM 156 C HIS A 13 9.578 -7.494 0.576 1.00 0.00 C ATOM 157 O HIS A 13 10.232 -8.414 0.082 1.00 0.00 O ATOM 158 CB HIS A 13 8.838 -7.606 2.934 1.00 0.00 C ATOM 159 CG HIS A 13 9.081 -9.028 3.395 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.203 -10.084 2.505 1.00 0.00 N ATOM 161 CD2 HIS A 13 9.157 -9.483 4.675 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.358 -11.149 3.265 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.336 -10.845 4.586 1.00 0.00 N ATOM 0 H HIS A 13 9.516 -5.030 1.316 1.00 0.00 H new ATOM 0 HA HIS A 13 10.884 -7.366 2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.786 -6.965 3.814 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.862 -7.564 2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.090 -8.895 5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.488 -12.150 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.433 -11.499 5.363 1.00 0.00 H new ATOM 171 N TYR A 14 8.550 -6.899 -0.079 1.00 0.00 N ATOM 172 CA TYR A 14 8.020 -7.348 -1.355 1.00 0.00 C ATOM 173 C TYR A 14 8.604 -6.523 -2.466 1.00 0.00 C ATOM 174 O TYR A 14 7.991 -6.225 -3.481 1.00 0.00 O ATOM 175 CB TYR A 14 6.483 -7.376 -1.332 1.00 0.00 C ATOM 176 CG TYR A 14 6.039 -8.170 -0.117 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.407 -9.505 0.152 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.303 -7.498 0.845 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.109 -10.109 1.379 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.951 -8.103 2.052 1.00 0.00 C ATOM 181 CZ TYR A 14 5.367 -9.408 2.334 1.00 0.00 C ATOM 182 OH TYR A 14 5.036 -10.011 3.568 1.00 0.00 O ATOM 0 H TYR A 14 8.068 -6.078 0.287 1.00 0.00 H new ATOM 0 HA TYR A 14 8.322 -8.378 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.085 -6.362 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.098 -7.831 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.929 -10.072 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.994 -6.481 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.451 -11.112 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.355 -7.561 2.771 1.00 0.00 H new ATOM 0 HH TYR A 14 4.519 -9.381 4.112 1.00 0.00 H new ATOM 192 N GLY A 15 9.885 -6.207 -2.260 1.00 0.00 N ATOM 193 CA GLY A 15 10.811 -5.617 -3.197 1.00 0.00 C ATOM 194 C GLY A 15 11.057 -4.156 -3.030 1.00 0.00 C ATOM 195 O GLY A 15 12.023 -3.647 -3.601 1.00 0.00 O ATOM 0 H GLY A 15 10.325 -6.376 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.764 -6.139 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.438 -5.791 -4.206 1.00 0.00 H new ATOM 199 N VAL A 16 10.206 -3.436 -2.259 1.00 0.00 N ATOM 200 CA VAL A 16 10.285 -1.993 -2.169 1.00 0.00 C ATOM 201 C VAL A 16 10.277 -1.600 -0.726 1.00 0.00 C ATOM 202 O VAL A 16 9.743 -2.305 0.128 1.00 0.00 O ATOM 203 CB VAL A 16 9.080 -1.303 -2.871 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.257 0.196 -3.144 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.672 -1.980 -4.186 1.00 0.00 C ATOM 0 H VAL A 16 9.462 -3.850 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 16 11.202 -1.674 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 16 8.289 -1.420 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.365 0.584 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.410 0.722 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.122 0.349 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.826 -1.448 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.511 -1.960 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.388 -3.014 -3.990 1.00 0.00 H new ATOM 215 N LEU A 17 10.804 -0.370 -0.483 1.00 0.00 N ATOM 216 CA LEU A 17 10.890 0.305 0.794 1.00 0.00 C ATOM 217 C LEU A 17 9.504 0.787 1.120 1.00 0.00 C ATOM 218 O LEU A 17 8.997 1.720 0.499 1.00 0.00 O ATOM 219 CB LEU A 17 11.932 1.447 0.851 1.00 0.00 C ATOM 220 CG LEU A 17 12.194 2.052 2.258 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.607 1.001 3.309 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.221 3.196 2.187 1.00 0.00 C ATOM 0 H LEU A 17 11.199 0.193 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 17 11.256 -0.399 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.876 1.072 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.603 2.247 0.187 1.00 0.00 H new ATOM 0 HG LEU A 17 11.241 2.459 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.774 1.492 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.814 0.260 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.525 0.508 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.385 3.600 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.162 2.816 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.844 3.983 1.534 1.00 0.00 H new ATOM 234 N THR A 18 8.867 0.115 2.097 1.00 0.00 N ATOM 235 CA THR A 18 7.512 0.365 2.503 1.00 0.00 C ATOM 236 C THR A 18 7.546 0.484 3.975 1.00 0.00 C ATOM 237 O THR A 18 8.560 0.206 4.612 1.00 0.00 O ATOM 238 CB THR A 18 6.565 -0.832 2.161 1.00 0.00 C ATOM 239 OG1 THR A 18 7.203 -2.097 2.335 1.00 0.00 O ATOM 240 CG2 THR A 18 6.042 -0.752 0.738 1.00 0.00 C ATOM 0 H THR A 18 9.312 -0.634 2.628 1.00 0.00 H new ATOM 0 HA THR A 18 7.139 1.252 1.991 1.00 0.00 H new ATOM 0 HB THR A 18 5.734 -0.752 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.610 -2.138 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.389 -1.602 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.482 0.174 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.880 -0.770 0.041 1.00 0.00 H new ATOM 248 N CYS A 19 6.377 0.870 4.550 1.00 0.00 N ATOM 249 CA CYS A 19 6.235 1.029 5.985 1.00 0.00 C ATOM 250 C CYS A 19 5.987 -0.338 6.598 1.00 0.00 C ATOM 251 O CYS A 19 6.171 -1.371 5.952 1.00 0.00 O ATOM 252 CB CYS A 19 5.242 2.121 6.506 1.00 0.00 C ATOM 253 SG CYS A 19 3.474 1.986 6.066 1.00 0.00 S ATOM 0 H CYS A 19 5.528 1.073 4.022 1.00 0.00 H new ATOM 0 HA CYS A 19 7.180 1.451 6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.311 2.138 7.594 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.598 3.088 6.149 1.00 0.00 H new ATOM 258 N GLY A 20 5.545 -0.368 7.876 1.00 0.00 N ATOM 259 CA GLY A 20 5.248 -1.584 8.600 1.00 0.00 C ATOM 260 C GLY A 20 3.932 -2.137 8.133 1.00 0.00 C ATOM 261 O GLY A 20 3.826 -3.323 7.831 1.00 0.00 O ATOM 0 H GLY A 20 5.388 0.477 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.039 -2.317 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.210 -1.382 9.671 1.00 0.00 H new ATOM 265 N SER A 21 2.917 -1.244 8.000 1.00 0.00 N ATOM 266 CA SER A 21 1.561 -1.595 7.621 1.00 0.00 C ATOM 267 C SER A 21 1.392 -1.941 6.154 1.00 0.00 C ATOM 268 O SER A 21 0.574 -2.804 5.856 1.00 0.00 O ATOM 269 CB SER A 21 0.493 -0.574 8.088 1.00 0.00 C ATOM 270 OG SER A 21 0.661 0.715 7.514 1.00 0.00 O ATOM 0 H SER A 21 3.041 -0.244 8.161 1.00 0.00 H new ATOM 0 HA SER A 21 1.378 -2.516 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.497 -0.952 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.532 -0.489 9.174 1.00 0.00 H new ATOM 0 HG SER A 21 1.576 0.805 7.175 1.00 0.00 H new ATOM 276 N CYS A 22 2.167 -1.311 5.210 1.00 0.00 N ATOM 277 CA CYS A 22 2.044 -1.494 3.759 1.00 0.00 C ATOM 278 C CYS A 22 2.493 -2.852 3.305 1.00 0.00 C ATOM 279 O CYS A 22 2.046 -3.350 2.275 1.00 0.00 O ATOM 280 CB CYS A 22 2.640 -0.395 2.857 1.00 0.00 C ATOM 281 SG CYS A 22 1.598 1.102 2.911 1.00 0.00 S ATOM 0 H CYS A 22 2.904 -0.653 5.464 1.00 0.00 H new ATOM 0 HA CYS A 22 0.967 -1.400 3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.651 -0.155 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.715 -0.757 1.832 1.00 0.00 H new ATOM 286 N LYS A 23 3.341 -3.497 4.136 1.00 0.00 N ATOM 287 CA LYS A 23 3.852 -4.838 3.989 1.00 0.00 C ATOM 288 C LYS A 23 2.697 -5.817 4.126 1.00 0.00 C ATOM 289 O LYS A 23 2.338 -6.536 3.196 1.00 0.00 O ATOM 290 CB LYS A 23 4.981 -5.118 5.015 1.00 0.00 C ATOM 291 CG LYS A 23 5.770 -6.432 4.835 1.00 0.00 C ATOM 292 CD LYS A 23 6.896 -6.659 5.865 1.00 0.00 C ATOM 293 CE LYS A 23 6.437 -6.950 7.307 1.00 0.00 C ATOM 294 NZ LYS A 23 6.062 -5.739 8.036 1.00 0.00 N ATOM 0 H LYS A 23 3.698 -3.046 4.978 1.00 0.00 H new ATOM 0 HA LYS A 23 4.298 -4.960 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.688 -4.289 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.542 -5.119 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.073 -7.268 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.204 -6.444 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.512 -7.492 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.534 -5.775 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.587 -7.632 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.238 -7.458 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.405 -5.803 9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.487 -4.910 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.027 -5.641 8.037 1.00 0.00 H new ATOM 308 N VAL A 24 2.056 -5.775 5.314 1.00 0.00 N ATOM 309 CA VAL A 24 0.955 -6.604 5.781 1.00 0.00 C ATOM 310 C VAL A 24 -0.307 -6.415 4.978 1.00 0.00 C ATOM 311 O VAL A 24 -1.041 -7.365 4.709 1.00 0.00 O ATOM 312 CB VAL A 24 0.661 -6.356 7.293 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.361 -7.337 7.903 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.950 -6.327 8.140 1.00 0.00 C ATOM 0 H VAL A 24 2.330 -5.096 6.024 1.00 0.00 H new ATOM 0 HA VAL A 24 1.280 -7.635 5.641 1.00 0.00 H new ATOM 0 HB VAL A 24 0.201 -5.368 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.511 -7.098 8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.310 -7.250 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.014 -8.356 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.695 -6.152 9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.467 -7.282 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.600 -5.527 7.786 1.00 0.00 H new ATOM 324 N PHE A 25 -0.538 -5.152 4.566 1.00 0.00 N ATOM 325 CA PHE A 25 -1.602 -4.629 3.740 1.00 0.00 C ATOM 326 C PHE A 25 -1.628 -5.333 2.420 1.00 0.00 C ATOM 327 O PHE A 25 -2.633 -5.916 2.034 1.00 0.00 O ATOM 328 CB PHE A 25 -1.331 -3.122 3.490 1.00 0.00 C ATOM 329 CG PHE A 25 -2.217 -2.442 2.476 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.622 -2.509 2.509 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.581 -1.876 1.359 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.370 -2.052 1.417 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.324 -1.439 0.268 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.719 -1.532 0.289 1.00 0.00 C ATOM 0 H PHE A 25 0.098 -4.405 4.845 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.557 -4.777 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.430 -2.595 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.295 -3.009 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.123 -2.913 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.505 -1.779 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.449 -2.100 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.823 -1.028 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.295 -1.203 -0.563 1.00 0.00 H new ATOM 344 N PHE A 26 -0.457 -5.266 1.750 1.00 0.00 N ATOM 345 CA PHE A 26 -0.158 -5.769 0.433 1.00 0.00 C ATOM 346 C PHE A 26 -0.259 -7.272 0.373 1.00 0.00 C ATOM 347 O PHE A 26 -0.785 -7.830 -0.577 1.00 0.00 O ATOM 348 CB PHE A 26 1.209 -5.242 -0.055 1.00 0.00 C ATOM 349 CG PHE A 26 1.554 -5.672 -1.458 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.799 -5.246 -2.565 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.646 -6.518 -1.673 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.157 -5.628 -3.864 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.009 -6.887 -2.965 1.00 0.00 C ATOM 354 CZ PHE A 26 2.265 -6.462 -4.068 1.00 0.00 C ATOM 0 H PHE A 26 0.357 -4.817 2.170 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.913 -5.390 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.208 -4.153 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.987 -5.590 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.066 -4.618 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.212 -6.888 -0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.580 -5.280 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.878 -7.510 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.540 -6.772 -5.065 1.00 0.00 H new ATOM 364 N LYS A 27 0.203 -7.954 1.434 1.00 0.00 N ATOM 365 CA LYS A 27 0.207 -9.387 1.629 1.00 0.00 C ATOM 366 C LYS A 27 -1.216 -9.926 1.713 1.00 0.00 C ATOM 367 O LYS A 27 -1.491 -11.026 1.240 1.00 0.00 O ATOM 368 CB LYS A 27 1.151 -9.752 2.806 1.00 0.00 C ATOM 369 CG LYS A 27 1.185 -11.222 3.266 1.00 0.00 C ATOM 370 CD LYS A 27 1.609 -12.227 2.181 1.00 0.00 C ATOM 371 CE LYS A 27 0.666 -13.429 2.030 1.00 0.00 C ATOM 372 NZ LYS A 27 0.653 -14.277 3.220 1.00 0.00 N ATOM 0 H LYS A 27 0.612 -7.466 2.231 1.00 0.00 H new ATOM 0 HA LYS A 27 0.626 -9.900 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.164 -9.465 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.872 -9.139 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.870 -11.309 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.195 -11.497 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.672 -11.707 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.610 -12.592 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.344 -13.072 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.972 -14.022 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.003 -15.075 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.611 -14.640 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.336 -13.720 4.039 1.00 0.00 H new ATOM 386 N ARG A 28 -2.165 -9.116 2.261 1.00 0.00 N ATOM 387 CA ARG A 28 -3.584 -9.432 2.334 1.00 0.00 C ATOM 388 C ARG A 28 -4.265 -9.061 1.044 1.00 0.00 C ATOM 389 O ARG A 28 -5.147 -9.766 0.572 1.00 0.00 O ATOM 390 CB ARG A 28 -4.309 -8.710 3.498 1.00 0.00 C ATOM 391 CG ARG A 28 -4.548 -9.611 4.721 1.00 0.00 C ATOM 392 CD ARG A 28 -3.253 -10.135 5.374 1.00 0.00 C ATOM 393 NE ARG A 28 -3.566 -10.895 6.641 1.00 0.00 N ATOM 394 CZ ARG A 28 -3.954 -10.275 7.803 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.685 -8.958 8.042 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.616 -11.002 8.751 1.00 0.00 N ATOM 0 H ARG A 28 -1.939 -8.209 2.668 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.647 -10.505 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.720 -7.845 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.267 -8.333 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.118 -9.054 5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.161 -10.461 4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.724 -10.784 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.589 -9.300 5.599 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.486 -11.912 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.182 -8.406 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.987 -8.526 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.815 -11.989 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.912 -10.558 9.620 1.00 0.00 H new ATOM 410 N ALA A 29 -3.822 -7.948 0.432 1.00 0.00 N ATOM 411 CA ALA A 29 -4.343 -7.337 -0.777 1.00 0.00 C ATOM 412 C ALA A 29 -4.047 -8.122 -2.029 1.00 0.00 C ATOM 413 O ALA A 29 -4.614 -7.855 -3.088 1.00 0.00 O ATOM 414 CB ALA A 29 -3.774 -5.927 -0.970 1.00 0.00 C ATOM 0 H ALA A 29 -3.032 -7.423 0.807 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.423 -7.311 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.181 -5.492 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.048 -5.304 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.688 -5.980 -1.046 1.00 0.00 H new ATOM 420 N VAL A 30 -3.133 -9.110 -1.908 1.00 0.00 N ATOM 421 CA VAL A 30 -2.665 -9.967 -2.965 1.00 0.00 C ATOM 422 C VAL A 30 -3.214 -11.348 -2.703 1.00 0.00 C ATOM 423 O VAL A 30 -4.178 -11.773 -3.338 1.00 0.00 O ATOM 424 CB VAL A 30 -1.110 -9.960 -3.082 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.595 -10.941 -4.147 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.530 -8.560 -3.361 1.00 0.00 C ATOM 0 H VAL A 30 -2.692 -9.324 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.021 -9.603 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.760 -10.286 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.493 -10.896 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.907 -11.953 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.005 -10.670 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.556 -8.623 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.933 -8.180 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.802 -7.885 -2.550 1.00 0.00 H new ATOM 436 N GLU A 31 -2.573 -12.077 -1.758 1.00 0.00 N ATOM 437 CA GLU A 31 -2.884 -13.446 -1.390 1.00 0.00 C ATOM 438 C GLU A 31 -3.682 -13.429 -0.118 1.00 0.00 C ATOM 439 O GLU A 31 -3.300 -13.997 0.905 1.00 0.00 O ATOM 440 CB GLU A 31 -1.644 -14.364 -1.235 1.00 0.00 C ATOM 441 CG GLU A 31 -0.942 -14.680 -2.575 1.00 0.00 C ATOM 442 CD GLU A 31 0.117 -15.775 -2.407 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.266 -16.921 -2.046 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.319 -15.486 -2.647 1.00 0.00 O ATOM 0 H GLU A 31 -1.796 -11.695 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.456 -13.876 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.930 -13.887 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.950 -15.298 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.682 -14.997 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.474 -13.776 -2.964 1.00 0.00 H new ATOM 451 N GLY A 32 -4.858 -12.779 -0.200 1.00 0.00 N ATOM 452 CA GLY A 32 -5.780 -12.723 0.914 1.00 0.00 C ATOM 453 C GLY A 32 -7.105 -12.220 0.450 1.00 0.00 C ATOM 454 O GLY A 32 -7.479 -12.390 -0.710 1.00 0.00 O ATOM 0 H GLY A 32 -5.179 -12.289 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.891 -13.713 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.385 -12.070 1.692 1.00 0.00 H new ATOM 458 N GLN A 33 -7.845 -11.569 1.388 1.00 0.00 N ATOM 459 CA GLN A 33 -9.145 -10.970 1.164 1.00 0.00 C ATOM 460 C GLN A 33 -8.883 -9.502 0.979 1.00 0.00 C ATOM 461 O GLN A 33 -8.026 -8.926 1.650 1.00 0.00 O ATOM 462 CB GLN A 33 -10.171 -11.263 2.290 1.00 0.00 C ATOM 463 CG GLN A 33 -9.825 -10.778 3.723 1.00 0.00 C ATOM 464 CD GLN A 33 -10.628 -9.524 4.117 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.801 -9.634 4.495 1.00 0.00 O ATOM 466 NE2 GLN A 33 -9.980 -8.324 4.024 1.00 0.00 N ATOM 0 H GLN A 33 -7.521 -11.455 2.348 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.621 -11.405 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.121 -10.813 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.328 -12.341 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.028 -11.577 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.759 -10.560 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.011 -8.291 3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.465 -7.462 4.273 1.00 0.00 H new ATOM 475 N HIS A 34 -9.610 -8.882 0.020 1.00 0.00 N ATOM 476 CA HIS A 34 -9.431 -7.505 -0.383 1.00 0.00 C ATOM 477 C HIS A 34 -10.696 -6.770 0.006 1.00 0.00 C ATOM 478 O HIS A 34 -11.274 -7.047 1.056 1.00 0.00 O ATOM 479 CB HIS A 34 -9.158 -7.407 -1.911 1.00 0.00 C ATOM 480 CG HIS A 34 -8.181 -8.416 -2.487 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.184 -8.600 -3.861 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.289 -9.272 -1.905 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.314 -9.566 -4.078 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.749 -10.014 -2.930 1.00 0.00 N ATOM 0 H HIS A 34 -10.352 -9.355 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.567 -7.060 0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.108 -7.513 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.784 -6.406 -2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.055 -9.350 -0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.078 -9.956 -5.057 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.057 -10.758 -2.843 1.00 0.00 H new ATOM 492 N ASN A 35 -11.137 -5.807 -0.850 1.00 0.00 N ATOM 493 CA ASN A 35 -12.331 -4.989 -0.757 1.00 0.00 C ATOM 494 C ASN A 35 -11.946 -3.671 -0.137 1.00 0.00 C ATOM 495 O ASN A 35 -11.970 -3.504 1.082 1.00 0.00 O ATOM 496 CB ASN A 35 -13.595 -5.624 -0.092 1.00 0.00 C ATOM 497 CG ASN A 35 -14.903 -4.919 -0.514 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.329 -5.038 -1.669 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.530 -4.174 0.446 1.00 0.00 N ATOM 0 H ASN A 35 -10.603 -5.581 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.688 -4.863 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.652 -6.679 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.494 -5.576 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.395 -3.681 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.133 -4.111 1.383 1.00 0.00 H new ATOM 506 N TYR A 36 -11.587 -2.705 -1.013 1.00 0.00 N ATOM 507 CA TYR A 36 -11.218 -1.348 -0.680 1.00 0.00 C ATOM 508 C TYR A 36 -12.008 -0.476 -1.616 1.00 0.00 C ATOM 509 O TYR A 36 -12.633 0.492 -1.185 1.00 0.00 O ATOM 510 CB TYR A 36 -9.699 -1.041 -0.692 1.00 0.00 C ATOM 511 CG TYR A 36 -8.851 -2.218 -0.263 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.795 -2.572 1.098 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.086 -2.961 -1.184 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.017 -3.653 1.527 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.300 -4.039 -0.757 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.266 -4.387 0.601 1.00 0.00 C ATOM 517 OH TYR A 36 -6.472 -5.468 1.044 1.00 0.00 O ATOM 0 H TYR A 36 -11.551 -2.880 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.460 -1.153 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.404 -0.736 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.500 -0.198 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.360 -2.002 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.106 -2.696 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.996 -3.921 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.720 -4.602 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.882 -5.871 1.838 1.00 0.00 H new ATOM 527 N LEU A 37 -12.002 -0.838 -2.929 1.00 0.00 N ATOM 528 CA LEU A 37 -12.786 -0.262 -4.013 1.00 0.00 C ATOM 529 C LEU A 37 -12.422 1.156 -4.412 1.00 0.00 C ATOM 530 O LEU A 37 -12.791 2.112 -3.731 1.00 0.00 O ATOM 531 CB LEU A 37 -14.326 -0.340 -3.794 1.00 0.00 C ATOM 532 CG LEU A 37 -14.874 -1.730 -3.379 1.00 0.00 C ATOM 533 CD1 LEU A 37 -16.372 -1.653 -3.030 1.00 0.00 C ATOM 534 CD2 LEU A 37 -14.598 -2.820 -4.430 1.00 0.00 C ATOM 0 H LEU A 37 -11.402 -1.593 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.506 -0.913 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.603 0.384 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.822 -0.034 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.329 -2.025 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.730 -2.642 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.517 -0.959 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.930 -1.303 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.005 -3.770 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.071 -2.545 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.523 -2.918 -4.579 1.00 0.00 H new ATOM 546 N CYS A 38 -11.706 1.313 -5.558 1.00 0.00 N ATOM 547 CA CYS A 38 -11.368 2.601 -6.143 1.00 0.00 C ATOM 548 C CYS A 38 -10.777 2.295 -7.488 1.00 0.00 C ATOM 549 O CYS A 38 -9.806 2.898 -7.946 1.00 0.00 O ATOM 550 CB CYS A 38 -10.403 3.466 -5.293 1.00 0.00 C ATOM 551 SG CYS A 38 -10.611 5.270 -5.404 1.00 0.00 S ATOM 0 H CYS A 38 -11.350 0.523 -6.096 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.269 3.211 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.515 3.174 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.381 3.223 -5.585 1.00 0.00 H new ATOM 556 N ALA A 39 -11.422 1.319 -8.149 1.00 0.00 N ATOM 557 CA ALA A 39 -11.114 0.786 -9.452 1.00 0.00 C ATOM 558 C ALA A 39 -11.926 1.506 -10.492 1.00 0.00 C ATOM 559 O ALA A 39 -11.651 1.419 -11.689 1.00 0.00 O ATOM 560 CB ALA A 39 -11.446 -0.712 -9.544 1.00 0.00 C ATOM 0 H ALA A 39 -12.234 0.858 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.046 0.924 -9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.200 -1.079 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.864 -1.260 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.509 -0.861 -9.354 1.00 0.00 H new ATOM 566 N GLY A 40 -12.954 2.246 -10.017 1.00 0.00 N ATOM 567 CA GLY A 40 -13.881 3.003 -10.817 1.00 0.00 C ATOM 568 C GLY A 40 -13.441 4.429 -10.958 1.00 0.00 C ATOM 569 O GLY A 40 -13.858 5.088 -11.911 1.00 0.00 O ATOM 0 H GLY A 40 -13.149 2.320 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.969 2.548 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.870 2.969 -10.361 1.00 0.00 H new ATOM 573 N ARG A 41 -12.588 4.949 -10.026 1.00 0.00 N ATOM 574 CA ARG A 41 -12.148 6.323 -10.058 1.00 0.00 C ATOM 575 C ARG A 41 -10.651 6.353 -10.088 1.00 0.00 C ATOM 576 O ARG A 41 -10.057 6.526 -11.152 1.00 0.00 O ATOM 577 CB ARG A 41 -12.746 7.204 -8.934 1.00 0.00 C ATOM 578 CG ARG A 41 -14.287 7.113 -8.862 1.00 0.00 C ATOM 579 CD ARG A 41 -15.001 8.250 -8.104 1.00 0.00 C ATOM 580 NE ARG A 41 -14.607 8.251 -6.647 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.982 9.264 -5.800 1.00 0.00 C ATOM 582 NH1 ARG A 41 -15.396 10.481 -6.262 1.00 0.00 N ATOM 583 NH2 ARG A 41 -14.938 9.050 -4.450 1.00 0.00 N ATOM 0 H ARG A 41 -12.206 4.409 -9.250 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.534 6.778 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.323 6.901 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.454 8.242 -9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.676 7.082 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.553 6.167 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.747 9.209 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.081 8.131 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.048 7.480 -6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.434 10.660 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.667 11.211 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.630 8.148 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.213 9.792 -3.807 1.00 0.00 H new ATOM 597 N ASN A 42 -10.018 6.216 -8.896 1.00 0.00 N ATOM 598 CA ASN A 42 -8.587 6.290 -8.627 1.00 0.00 C ATOM 599 C ASN A 42 -8.242 7.770 -8.712 1.00 0.00 C ATOM 600 O ASN A 42 -7.529 8.211 -9.613 1.00 0.00 O ATOM 601 CB ASN A 42 -7.680 5.350 -9.494 1.00 0.00 C ATOM 602 CG ASN A 42 -6.183 5.370 -9.101 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.835 5.060 -7.955 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.300 5.739 -10.076 1.00 0.00 N ATOM 0 H ASN A 42 -10.548 6.038 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.367 5.888 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.052 4.329 -9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.773 5.639 -10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.301 5.768 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.640 5.985 -11.006 1.00 0.00 H new ATOM 611 N ASP A 43 -8.808 8.559 -7.767 1.00 0.00 N ATOM 612 CA ASP A 43 -8.618 9.992 -7.670 1.00 0.00 C ATOM 613 C ASP A 43 -7.744 10.351 -6.510 1.00 0.00 C ATOM 614 O ASP A 43 -6.795 11.118 -6.673 1.00 0.00 O ATOM 615 CB ASP A 43 -9.928 10.828 -7.473 1.00 0.00 C ATOM 616 CG ASP A 43 -11.214 10.070 -7.086 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.203 9.307 -6.087 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.237 10.285 -7.790 1.00 0.00 O ATOM 0 H ASP A 43 -9.422 8.189 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.175 10.241 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.736 11.576 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.123 11.368 -8.400 1.00 0.00 H new ATOM 623 N CYS A 44 -8.070 9.827 -5.304 1.00 0.00 N ATOM 624 CA CYS A 44 -7.475 10.145 -4.039 1.00 0.00 C ATOM 625 C CYS A 44 -5.974 9.921 -3.974 1.00 0.00 C ATOM 626 O CYS A 44 -5.451 8.944 -4.508 1.00 0.00 O ATOM 627 CB CYS A 44 -8.170 9.398 -2.846 1.00 0.00 C ATOM 628 SG CYS A 44 -9.564 8.272 -3.250 1.00 0.00 S ATOM 0 H CYS A 44 -8.807 9.128 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.640 11.218 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.410 8.818 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.536 10.149 -2.146 1.00 0.00 H new ATOM 633 N ILE A 45 -5.264 10.859 -3.295 1.00 0.00 N ATOM 634 CA ILE A 45 -3.825 10.844 -3.102 1.00 0.00 C ATOM 635 C ILE A 45 -3.623 10.115 -1.804 1.00 0.00 C ATOM 636 O ILE A 45 -4.322 10.369 -0.827 1.00 0.00 O ATOM 637 CB ILE A 45 -3.174 12.262 -3.041 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.545 13.131 -4.271 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.639 12.239 -2.823 1.00 0.00 C ATOM 640 CD1 ILE A 45 -3.048 12.600 -5.626 1.00 0.00 C ATOM 0 H ILE A 45 -5.711 11.666 -2.859 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.339 10.366 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.603 12.728 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.630 13.227 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.142 14.133 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.261 13.261 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.413 11.739 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.163 11.701 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.360 13.279 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.960 12.532 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.471 11.612 -5.807 1.00 0.00 H new ATOM 652 N ILE A 46 -2.650 9.178 -1.799 1.00 0.00 N ATOM 653 CA ILE A 46 -2.318 8.329 -0.682 1.00 0.00 C ATOM 654 C ILE A 46 -0.955 8.782 -0.262 1.00 0.00 C ATOM 655 O ILE A 46 0.038 8.604 -0.967 1.00 0.00 O ATOM 656 CB ILE A 46 -2.447 6.820 -1.075 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.845 6.253 -0.730 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.392 5.830 -0.536 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.053 7.126 -1.058 1.00 0.00 C ATOM 0 H ILE A 46 -2.064 9.002 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.998 8.412 0.166 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.268 6.876 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.963 5.304 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.867 6.034 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.618 4.826 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.403 6.126 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.409 5.838 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.966 6.608 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.979 8.068 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.077 7.326 -2.129 1.00 0.00 H new ATOM 671 N ASP A 47 -0.924 9.409 0.932 1.00 0.00 N ATOM 672 CA ASP A 47 0.267 9.884 1.578 1.00 0.00 C ATOM 673 C ASP A 47 -0.011 9.668 3.041 1.00 0.00 C ATOM 674 O ASP A 47 -0.975 8.995 3.385 1.00 0.00 O ATOM 675 CB ASP A 47 0.768 11.298 1.181 1.00 0.00 C ATOM 676 CG ASP A 47 -0.212 12.444 1.478 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.270 12.518 0.798 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.091 13.257 2.392 1.00 0.00 O ATOM 0 H ASP A 47 -1.769 9.594 1.473 1.00 0.00 H new ATOM 0 HA ASP A 47 1.143 9.330 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.703 11.495 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.993 11.301 0.115 1.00 0.00 H new ATOM 683 N LYS A 48 0.833 10.232 3.938 1.00 0.00 N ATOM 684 CA LYS A 48 0.851 10.012 5.378 1.00 0.00 C ATOM 685 C LYS A 48 -0.386 10.411 6.151 1.00 0.00 C ATOM 686 O LYS A 48 -0.549 10.035 7.311 1.00 0.00 O ATOM 687 CB LYS A 48 2.097 10.707 5.980 1.00 0.00 C ATOM 688 CG LYS A 48 2.621 10.130 7.311 1.00 0.00 C ATOM 689 CD LYS A 48 2.295 10.970 8.563 1.00 0.00 C ATOM 690 CE LYS A 48 2.759 10.332 9.887 1.00 0.00 C ATOM 691 NZ LYS A 48 4.218 10.267 9.988 1.00 0.00 N ATOM 0 H LYS A 48 1.556 10.889 3.644 1.00 0.00 H new ATOM 0 HA LYS A 48 0.883 8.928 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.902 10.663 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.862 11.760 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.205 9.131 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.703 10.018 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.761 11.950 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.218 11.132 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.364 10.908 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.346 9.327 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.484 9.831 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.595 9.696 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.613 11.228 9.937 1.00 0.00 H new ATOM 705 N ILE A 49 -1.294 11.166 5.502 1.00 0.00 N ATOM 706 CA ILE A 49 -2.501 11.688 6.087 1.00 0.00 C ATOM 707 C ILE A 49 -3.680 11.108 5.365 1.00 0.00 C ATOM 708 O ILE A 49 -4.618 10.600 5.978 1.00 0.00 O ATOM 709 CB ILE A 49 -2.498 13.248 6.003 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.399 13.879 6.899 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.875 13.915 6.221 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.543 13.607 8.405 1.00 0.00 C ATOM 0 H ILE A 49 -1.184 11.427 4.522 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.561 11.410 7.139 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.249 13.464 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.428 13.508 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.398 14.957 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.771 14.997 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.574 13.563 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.252 13.656 7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.727 14.091 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.495 14.005 8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.510 12.533 8.586 1.00 0.00 H new ATOM 724 N ARG A 50 -3.643 11.227 4.025 1.00 0.00 N ATOM 725 CA ARG A 50 -4.736 10.930 3.127 1.00 0.00 C ATOM 726 C ARG A 50 -4.893 9.473 2.787 1.00 0.00 C ATOM 727 O ARG A 50 -5.816 9.104 2.063 1.00 0.00 O ATOM 728 CB ARG A 50 -4.660 11.807 1.859 1.00 0.00 C ATOM 729 CG ARG A 50 -4.756 13.322 2.155 1.00 0.00 C ATOM 730 CD ARG A 50 -6.117 13.765 2.740 1.00 0.00 C ATOM 731 NE ARG A 50 -6.045 15.187 3.240 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.003 16.275 2.407 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.503 16.232 1.137 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.464 17.442 2.874 1.00 0.00 N ATOM 0 H ARG A 50 -2.808 11.547 3.534 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.642 11.182 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.723 11.604 1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.466 11.525 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.966 13.596 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.572 13.874 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.891 13.681 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.401 13.101 3.556 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.027 15.346 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.923 15.373 0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.456 17.059 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.102 17.492 3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.424 18.263 2.270 1.00 0.00 H new ATOM 748 N ARG A 51 -4.047 8.597 3.392 1.00 0.00 N ATOM 749 CA ARG A 51 -4.086 7.155 3.178 1.00 0.00 C ATOM 750 C ARG A 51 -5.228 6.495 3.923 1.00 0.00 C ATOM 751 O ARG A 51 -5.667 5.403 3.568 1.00 0.00 O ATOM 752 CB ARG A 51 -2.760 6.377 3.374 1.00 0.00 C ATOM 753 CG ARG A 51 -2.343 5.914 4.791 1.00 0.00 C ATOM 754 CD ARG A 51 -1.923 7.023 5.772 1.00 0.00 C ATOM 755 NE ARG A 51 -1.316 6.406 7.010 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.062 5.764 7.965 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.378 6.056 8.165 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.464 4.814 8.745 1.00 0.00 N ATOM 0 H ARG A 51 -3.319 8.891 4.044 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.266 7.083 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.807 5.490 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.956 7.002 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.175 5.365 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.515 5.212 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.203 7.689 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.788 7.629 6.043 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.307 6.470 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.834 6.769 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.907 5.561 8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.477 4.592 8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.004 4.327 9.460 1.00 0.00 H new ATOM 772 N LYS A 52 -5.723 7.179 4.991 1.00 0.00 N ATOM 773 CA LYS A 52 -6.765 6.750 5.895 1.00 0.00 C ATOM 774 C LYS A 52 -8.135 7.144 5.372 1.00 0.00 C ATOM 775 O LYS A 52 -9.132 7.066 6.087 1.00 0.00 O ATOM 776 CB LYS A 52 -6.520 7.340 7.311 1.00 0.00 C ATOM 777 CG LYS A 52 -6.690 6.352 8.487 1.00 0.00 C ATOM 778 CD LYS A 52 -8.134 5.951 8.841 1.00 0.00 C ATOM 779 CE LYS A 52 -8.994 7.115 9.365 1.00 0.00 C ATOM 780 NZ LYS A 52 -10.364 6.682 9.632 1.00 0.00 N ATOM 0 H LYS A 52 -5.365 8.102 5.238 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.738 5.662 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.509 7.747 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.205 8.175 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.131 5.446 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.231 6.792 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.611 5.530 7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.108 5.164 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.552 7.515 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.001 7.923 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.920 7.487 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.792 6.323 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.356 5.927 10.348 1.00 0.00 H new ATOM 794 N ASN A 53 -8.205 7.566 4.084 1.00 0.00 N ATOM 795 CA ASN A 53 -9.400 7.969 3.385 1.00 0.00 C ATOM 796 C ASN A 53 -9.700 6.928 2.345 1.00 0.00 C ATOM 797 O ASN A 53 -10.840 6.827 1.893 1.00 0.00 O ATOM 798 CB ASN A 53 -9.282 9.349 2.678 1.00 0.00 C ATOM 799 CG ASN A 53 -9.291 10.485 3.719 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.107 10.766 4.342 1.00 0.00 O flip ATOM 801 ND2 ASN A 53 -10.344 11.086 3.963 1.00 0.00 N flip ATOM 0 H ASN A 53 -7.374 7.629 3.496 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.191 8.065 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.362 9.389 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.109 9.480 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.200 10.836 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.356 11.832 4.659 1.00 0.00 H new ATOM 808 N CYS A 54 -8.682 6.128 1.936 1.00 0.00 N ATOM 809 CA CYS A 54 -8.849 5.136 0.901 1.00 0.00 C ATOM 810 C CYS A 54 -7.675 4.175 1.011 1.00 0.00 C ATOM 811 O CYS A 54 -6.557 4.574 0.683 1.00 0.00 O ATOM 812 CB CYS A 54 -8.904 5.816 -0.492 1.00 0.00 C ATOM 813 SG CYS A 54 -9.205 4.761 -1.931 1.00 0.00 S ATOM 0 H CYS A 54 -7.740 6.170 2.325 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.786 4.593 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.685 6.576 -0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.959 6.336 -0.649 1.00 0.00 H new ATOM 818 N PRO A 55 -7.896 2.895 1.408 1.00 0.00 N ATOM 819 CA PRO A 55 -6.887 1.834 1.358 1.00 0.00 C ATOM 820 C PRO A 55 -6.882 1.123 0.010 1.00 0.00 C ATOM 821 O PRO A 55 -6.391 -0.001 -0.058 1.00 0.00 O ATOM 822 CB PRO A 55 -7.289 0.860 2.474 1.00 0.00 C ATOM 823 CG PRO A 55 -8.370 1.597 3.271 1.00 0.00 C ATOM 824 CD PRO A 55 -9.034 2.481 2.221 1.00 0.00 C ATOM 0 HA PRO A 55 -5.882 2.234 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.670 -0.075 2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.436 0.608 3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.081 0.904 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.941 2.187 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.775 1.935 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.546 3.332 2.669 1.00 0.00 H new ATOM 832 N ALA A 56 -7.414 1.702 -1.100 1.00 0.00 N ATOM 833 CA ALA A 56 -7.572 1.072 -2.390 1.00 0.00 C ATOM 834 C ALA A 56 -6.490 1.575 -3.286 1.00 0.00 C ATOM 835 O ALA A 56 -5.787 0.796 -3.924 1.00 0.00 O ATOM 836 CB ALA A 56 -8.917 1.400 -3.040 1.00 0.00 C ATOM 0 H ALA A 56 -7.752 2.664 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.523 -0.007 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.985 0.902 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.726 1.055 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.000 2.478 -3.180 1.00 0.00 H new ATOM 842 N CYS A 57 -6.325 2.923 -3.312 1.00 0.00 N ATOM 843 CA CYS A 57 -5.315 3.671 -4.015 1.00 0.00 C ATOM 844 C CYS A 57 -3.909 3.289 -3.636 1.00 0.00 C ATOM 845 O CYS A 57 -3.034 3.260 -4.492 1.00 0.00 O ATOM 846 CB CYS A 57 -5.509 5.189 -3.840 1.00 0.00 C ATOM 847 SG CYS A 57 -6.940 5.885 -4.753 1.00 0.00 S ATOM 0 H CYS A 57 -6.955 3.537 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.446 3.410 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.631 5.407 -2.779 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.603 5.698 -4.168 1.00 0.00 H new ATOM 852 N ARG A 58 -3.709 2.914 -2.350 1.00 0.00 N ATOM 853 CA ARG A 58 -2.486 2.419 -1.752 1.00 0.00 C ATOM 854 C ARG A 58 -2.007 1.139 -2.383 1.00 0.00 C ATOM 855 O ARG A 58 -0.805 0.898 -2.447 1.00 0.00 O ATOM 856 CB ARG A 58 -2.575 2.083 -0.241 1.00 0.00 C ATOM 857 CG ARG A 58 -3.375 3.083 0.600 1.00 0.00 C ATOM 858 CD ARG A 58 -3.148 3.019 2.125 1.00 0.00 C ATOM 859 NE ARG A 58 -3.207 1.610 2.652 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.223 1.363 4.002 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.691 2.280 4.899 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.759 0.165 4.464 1.00 0.00 N ATOM 0 H ARG A 58 -4.467 2.960 -1.668 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.811 3.259 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.025 1.096 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.564 2.020 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.133 4.090 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.436 2.926 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.178 3.454 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.902 3.625 2.628 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.235 0.829 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.043 3.180 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.689 2.065 5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.407 -0.532 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.765 -0.033 5.465 1.00 0.00 H new ATOM 876 N TYR A 59 -2.961 0.286 -2.859 1.00 0.00 N ATOM 877 CA TYR A 59 -2.686 -1.000 -3.487 1.00 0.00 C ATOM 878 C TYR A 59 -2.080 -0.743 -4.847 1.00 0.00 C ATOM 879 O TYR A 59 -1.108 -1.382 -5.242 1.00 0.00 O ATOM 880 CB TYR A 59 -3.966 -1.871 -3.619 1.00 0.00 C ATOM 881 CG TYR A 59 -3.736 -3.255 -4.212 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.749 -4.123 -3.705 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.513 -3.689 -5.303 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.540 -5.385 -4.278 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.306 -4.950 -5.877 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.316 -5.799 -5.367 1.00 0.00 C ATOM 887 OH TYR A 59 -3.097 -7.070 -5.944 1.00 0.00 O ATOM 0 H TYR A 59 -3.957 0.497 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.992 -1.558 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.416 -1.984 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.688 -1.340 -4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.146 -3.812 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.279 -3.041 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.779 -6.039 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.911 -5.268 -6.714 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.720 -7.203 -6.689 1.00 0.00 H new ATOM 897 N ARG A 60 -2.621 0.281 -5.547 1.00 0.00 N ATOM 898 CA ARG A 60 -2.205 0.726 -6.857 1.00 0.00 C ATOM 899 C ARG A 60 -0.874 1.428 -6.807 1.00 0.00 C ATOM 900 O ARG A 60 -0.036 1.252 -7.688 1.00 0.00 O ATOM 901 CB ARG A 60 -3.273 1.609 -7.533 1.00 0.00 C ATOM 902 CG ARG A 60 -4.592 0.840 -7.743 1.00 0.00 C ATOM 903 CD ARG A 60 -5.748 1.701 -8.284 1.00 0.00 C ATOM 904 NE ARG A 60 -6.923 0.811 -8.617 1.00 0.00 N ATOM 905 CZ ARG A 60 -7.687 0.205 -7.651 1.00 0.00 C ATOM 906 NH1 ARG A 60 -7.814 0.732 -6.399 1.00 0.00 N ATOM 907 NH2 ARG A 60 -8.343 -0.953 -7.957 1.00 0.00 N ATOM 0 H ARG A 60 -3.395 0.833 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.087 -0.167 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.459 2.491 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.899 1.962 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.413 0.017 -8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.897 0.398 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.040 2.445 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.426 2.245 -9.172 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.157 0.655 -9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.334 1.600 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.389 0.258 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.261 -1.354 -8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.915 -1.417 -7.251 1.00 0.00 H new ATOM 921 N LYS A 61 -0.661 2.213 -5.721 1.00 0.00 N ATOM 922 CA LYS A 61 0.468 3.065 -5.459 1.00 0.00 C ATOM 923 C LYS A 61 1.722 2.290 -5.174 1.00 0.00 C ATOM 924 O LYS A 61 2.777 2.572 -5.738 1.00 0.00 O ATOM 925 CB LYS A 61 0.087 4.045 -4.335 1.00 0.00 C ATOM 926 CG LYS A 61 1.088 5.150 -3.970 1.00 0.00 C ATOM 927 CD LYS A 61 1.209 6.319 -4.966 1.00 0.00 C ATOM 928 CE LYS A 61 2.146 6.058 -6.157 1.00 0.00 C ATOM 929 NZ LYS A 61 2.314 7.266 -6.964 1.00 0.00 N ATOM 0 H LYS A 61 -1.342 2.251 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 61 0.707 3.638 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.852 4.524 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.108 3.461 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.809 5.557 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.072 4.696 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.216 6.556 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.563 7.199 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.117 5.721 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.741 5.257 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.950 7.065 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.389 7.572 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.722 8.021 -6.377 1.00 0.00 H new ATOM 943 N CYS A 62 1.588 1.244 -4.326 1.00 0.00 N ATOM 944 CA CYS A 62 2.631 0.326 -3.919 1.00 0.00 C ATOM 945 C CYS A 62 3.123 -0.511 -5.083 1.00 0.00 C ATOM 946 O CYS A 62 4.317 -0.763 -5.210 1.00 0.00 O ATOM 947 CB CYS A 62 2.261 -0.493 -2.648 1.00 0.00 C ATOM 948 SG CYS A 62 1.053 -1.846 -2.830 1.00 0.00 S ATOM 0 H CYS A 62 0.691 1.022 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 62 3.486 0.925 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.180 -0.917 -2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.875 0.202 -1.902 1.00 0.00 H new ATOM 0 HG CYS A 62 0.226 -1.563 -3.793 1.00 0.00 H new ATOM 954 N LEU A 63 2.191 -0.886 -6.005 1.00 0.00 N ATOM 955 CA LEU A 63 2.443 -1.652 -7.212 1.00 0.00 C ATOM 956 C LEU A 63 3.254 -0.843 -8.197 1.00 0.00 C ATOM 957 O LEU A 63 4.153 -1.382 -8.842 1.00 0.00 O ATOM 958 CB LEU A 63 1.158 -2.180 -7.892 1.00 0.00 C ATOM 959 CG LEU A 63 0.527 -3.407 -7.189 1.00 0.00 C ATOM 960 CD1 LEU A 63 -0.908 -3.663 -7.687 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.399 -4.670 -7.334 1.00 0.00 C ATOM 0 H LEU A 63 1.206 -0.640 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 63 3.010 -2.528 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.422 -1.377 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.389 -2.445 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 63 0.476 -3.171 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.322 -4.531 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.526 -2.790 -7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.893 -3.850 -8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.917 -5.505 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.520 -4.909 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.377 -4.490 -6.889 1.00 0.00 H new ATOM 973 N GLN A 64 2.986 0.496 -8.270 1.00 0.00 N ATOM 974 CA GLN A 64 3.673 1.456 -9.118 1.00 0.00 C ATOM 975 C GLN A 64 5.101 1.659 -8.664 1.00 0.00 C ATOM 976 O GLN A 64 5.984 1.955 -9.468 1.00 0.00 O ATOM 977 CB GLN A 64 2.949 2.818 -9.223 1.00 0.00 C ATOM 978 CG GLN A 64 1.688 2.757 -10.113 1.00 0.00 C ATOM 979 CD GLN A 64 0.889 4.066 -10.022 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.060 4.963 -10.856 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.001 4.163 -8.986 1.00 0.00 N ATOM 0 H GLN A 64 2.253 0.928 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 64 3.669 1.021 -10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.668 3.153 -8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.638 3.560 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.977 2.574 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.060 1.921 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.100 3.391 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.561 5.007 -8.873 1.00 0.00 H new ATOM 990 N ALA A 65 5.337 1.433 -7.343 1.00 0.00 N ATOM 991 CA ALA A 65 6.603 1.550 -6.647 1.00 0.00 C ATOM 992 C ALA A 65 7.552 0.465 -7.091 1.00 0.00 C ATOM 993 O ALA A 65 8.753 0.690 -7.241 1.00 0.00 O ATOM 994 CB ALA A 65 6.459 1.562 -5.117 1.00 0.00 C ATOM 0 H ALA A 65 4.586 1.147 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 65 7.017 2.521 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.444 1.652 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.841 2.408 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.990 0.635 -4.788 1.00 0.00 H new ATOM 1000 N GLY A 66 6.978 -0.741 -7.310 1.00 0.00 N ATOM 1001 CA GLY A 66 7.663 -1.907 -7.817 1.00 0.00 C ATOM 1002 C GLY A 66 7.417 -3.099 -6.947 1.00 0.00 C ATOM 1003 O GLY A 66 8.175 -4.066 -7.023 1.00 0.00 O ATOM 0 H GLY A 66 5.990 -0.913 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.325 -2.118 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.733 -1.708 -7.872 1.00 0.00 H new ATOM 1007 N MET A 67 6.333 -3.085 -6.114 1.00 0.00 N ATOM 1008 CA MET A 67 6.019 -4.146 -5.162 1.00 0.00 C ATOM 1009 C MET A 67 5.588 -5.409 -5.882 1.00 0.00 C ATOM 1010 O MET A 67 5.065 -5.353 -6.995 1.00 0.00 O ATOM 1011 CB MET A 67 4.931 -3.785 -4.126 1.00 0.00 C ATOM 1012 CG MET A 67 5.364 -2.744 -3.070 1.00 0.00 C ATOM 1013 SD MET A 67 6.350 -3.446 -1.699 1.00 0.00 S ATOM 1014 CE MET A 67 5.034 -4.077 -0.610 1.00 0.00 C ATOM 0 H MET A 67 5.659 -2.320 -6.101 1.00 0.00 H new ATOM 0 HA MET A 67 6.948 -4.299 -4.613 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.057 -3.404 -4.655 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.621 -4.695 -3.613 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.946 -1.964 -3.561 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.475 -2.267 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.455 -4.323 0.365 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.264 -3.315 -0.491 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.594 -4.971 -1.051 1.00 0.00 H new ATOM 1024 N ASN A 68 5.818 -6.579 -5.243 1.00 0.00 N ATOM 1025 CA ASN A 68 5.494 -7.867 -5.803 1.00 0.00 C ATOM 1026 C ASN A 68 5.691 -8.773 -4.637 1.00 0.00 C ATOM 1027 O ASN A 68 6.756 -8.786 -4.037 1.00 0.00 O ATOM 1028 CB ASN A 68 6.429 -8.336 -6.965 1.00 0.00 C ATOM 1029 CG ASN A 68 5.758 -9.254 -8.013 1.00 0.00 C ATOM 1030 OD1 ASN A 68 4.702 -10.017 -7.597 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 6.200 -9.283 -9.168 1.00 0.00 N flip ATOM 0 H ASN A 68 6.239 -6.632 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 68 4.499 -7.852 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.821 -7.455 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.281 -8.862 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.991 -8.693 -9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.774 -9.897 -9.862 1.00 0.00 H new ATOM 1038 N LEU A 69 4.675 -9.590 -4.289 1.00 0.00 N ATOM 1039 CA LEU A 69 4.665 -10.455 -3.120 1.00 0.00 C ATOM 1040 C LEU A 69 5.179 -11.829 -3.526 1.00 0.00 C ATOM 1041 O LEU A 69 4.827 -12.877 -2.992 1.00 0.00 O ATOM 1042 CB LEU A 69 3.300 -10.282 -2.382 1.00 0.00 C ATOM 1043 CG LEU A 69 2.778 -11.287 -1.327 1.00 0.00 C ATOM 1044 CD1 LEU A 69 1.986 -12.485 -1.887 1.00 0.00 C ATOM 1045 CD2 LEU A 69 3.818 -11.656 -0.262 1.00 0.00 C ATOM 0 H LEU A 69 3.819 -9.658 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 69 5.367 -10.194 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.335 -9.309 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.535 -10.222 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 69 2.013 -10.725 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.667 -13.126 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.110 -12.123 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.620 -13.055 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.382 -12.364 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.685 -12.110 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.128 -10.757 0.271 1.00 0.00 H new ATOM 1057 N GLU A 70 6.120 -11.791 -4.495 1.00 0.00 N ATOM 1058 CA GLU A 70 6.887 -12.855 -5.068 1.00 0.00 C ATOM 1059 C GLU A 70 8.098 -12.126 -5.598 1.00 0.00 C ATOM 1060 O GLU A 70 8.503 -12.280 -6.751 1.00 0.00 O ATOM 1061 CB GLU A 70 6.188 -13.620 -6.216 1.00 0.00 C ATOM 1062 CG GLU A 70 4.876 -14.333 -5.818 1.00 0.00 C ATOM 1063 CD GLU A 70 4.312 -15.138 -6.994 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.977 -14.514 -8.037 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.205 -16.386 -6.861 1.00 0.00 O ATOM 0 H GLU A 70 6.368 -10.900 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 70 7.084 -13.633 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.973 -12.919 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.881 -14.361 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.060 -14.997 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.142 -13.597 -5.491 1.00 0.00 H new ATOM 1072 N ALA A 71 8.694 -11.293 -4.715 1.00 0.00 N ATOM 1073 CA ALA A 71 9.831 -10.436 -4.979 1.00 0.00 C ATOM 1074 C ALA A 71 11.010 -10.946 -4.194 1.00 0.00 C ATOM 1075 O ALA A 71 10.909 -11.927 -3.456 1.00 0.00 O ATOM 1076 CB ALA A 71 9.554 -8.981 -4.559 1.00 0.00 C ATOM 0 H ALA A 71 8.364 -11.210 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 71 10.031 -10.452 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.430 -8.368 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.699 -8.598 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.337 -8.945 -3.491 1.00 0.00 H new ATOM 1082 N ARG A 72 12.166 -10.255 -4.354 1.00 0.00 N ATOM 1083 CA ARG A 72 13.423 -10.541 -3.706 1.00 0.00 C ATOM 1084 C ARG A 72 13.704 -9.343 -2.777 1.00 0.00 C ATOM 1085 O ARG A 72 13.820 -9.571 -1.543 1.00 0.00 O ATOM 1086 CB ARG A 72 14.562 -10.727 -4.740 1.00 0.00 C ATOM 1087 CG ARG A 72 15.949 -11.107 -4.171 1.00 0.00 C ATOM 1088 CD ARG A 72 15.999 -12.425 -3.366 1.00 0.00 C ATOM 1089 NE ARG A 72 15.615 -13.609 -4.226 1.00 0.00 N ATOM 1090 CZ ARG A 72 16.430 -14.109 -5.210 1.00 0.00 C ATOM 1091 NH1 ARG A 72 17.778 -13.892 -5.209 1.00 0.00 N ATOM 1092 NH2 ARG A 72 15.877 -14.852 -6.214 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.799 -8.195 -3.287 1.00 0.00 O ATOM 0 H ARG A 72 12.225 -9.447 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 72 13.373 -11.474 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.259 -11.499 -5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.666 -9.801 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.654 -11.180 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.294 -10.296 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.003 -12.572 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.324 -12.358 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 72 14.711 -14.055 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.206 -13.345 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.357 -14.277 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.872 -15.028 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.469 -15.231 -6.953 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.808 2.763 3.966 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -9.083 6.071 -3.848 1.00 0.00 ZN