USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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: 1 68 ASN :FLIP amide:sc= -0.65 F(o=-10,f=-7.1) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.44 K(o=-7.1,f=-10!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -4.19! C(o=-9.9!,f=-8.2!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -4! USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -7.07! C(o=-7.1!,f=-13!) USER MOD Single : 1 20 SER OG : rot -10:sc= 0.978 USER MOD Single : 1 23 ASN : amide:sc= -1.89 K(o=-1.9,f=-6.5!) USER MOD Single : 1 25 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 68:sc= -2.84 USER MOD Single : 1 40 SER OG : rot 148:sc= 0.81 USER MOD Single : 1 41 GLN : amide:sc= -0.777 K(o=-0.78,f=-3.4!) USER MOD Single : 1 43 ASN : amide:sc= -3.07 K(o=-3.1,f=-5.4!) USER MOD Single : 1 44 TYR OH : rot -163:sc= 0.236 USER MOD Single : 1 50 GLN :FLIP amide:sc= -0.0901 F(o=-0.89,f=-0.09) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 81:sc= 1.22 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -165:sc= -0.115 (180deg=-0.439) USER MOD Single : 1 76 SER OG : rot 43:sc= 1.27 USER MOD Single : 1 77 SER OG : rot -21:sc= 0.673 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.404 17.828 12.388 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.349 17.062 11.177 1.00 0.00 C ATOM 44 C VAL 1 4 -0.150 17.507 10.354 1.00 0.00 C ATOM 45 O VAL 1 4 -0.229 18.464 9.584 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.646 17.219 10.350 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.065 15.883 9.773 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.782 17.803 11.183 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.248 16.009 11.440 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.434 17.915 9.539 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.979 16.008 9.193 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.275 15.502 9.126 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.243 15.176 10.584 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.675 17.897 10.565 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.992 17.144 12.025 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.493 18.786 11.555 1.00 0.00 H new ATOM 58 N CYS 1 5 0.967 16.818 10.542 1.00 0.00 N ATOM 59 CA CYS 1 5 2.198 17.165 9.829 1.00 0.00 C ATOM 60 C CYS 1 5 2.026 16.886 8.341 1.00 0.00 C ATOM 61 O CYS 1 5 2.169 15.752 7.883 1.00 0.00 O ATOM 62 CB CYS 1 5 3.422 16.385 10.369 1.00 0.00 C ATOM 63 SG CYS 1 5 3.130 15.379 11.872 1.00 0.00 S ATOM 0 H CYS 1 5 1.051 16.022 11.175 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.386 18.226 9.991 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.786 15.727 9.580 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.218 17.098 10.582 1.00 0.00 H new ATOM 68 N GLY 1 6 1.697 17.940 7.596 1.00 0.00 N ATOM 69 CA GLY 1 6 1.480 17.814 6.168 1.00 0.00 C ATOM 70 C GLY 1 6 0.021 17.547 5.836 1.00 0.00 C ATOM 71 O GLY 1 6 -0.292 17.018 4.770 1.00 0.00 O ATOM 0 H GLY 1 6 1.577 18.885 7.962 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.804 18.728 5.670 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.095 17.003 5.778 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.870 17.907 6.762 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.306 17.696 6.582 1.00 0.00 C ATOM 77 C ASN 1 7 -2.604 16.211 6.432 1.00 0.00 C ATOM 78 O ASN 1 7 -1.878 15.491 5.747 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.823 18.453 5.356 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.315 19.845 5.700 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.521 20.760 5.920 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.631 20.013 5.748 1.00 0.00 N ATOM 0 H ASN 1 7 -0.620 18.348 7.647 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.816 18.079 7.466 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.027 18.525 4.615 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.634 17.887 4.898 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -5.020 20.928 5.974 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -5.253 19.227 5.559 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.665 15.747 7.084 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.030 14.337 7.025 1.00 0.00 C ATOM 91 C LYS 1 8 -4.054 13.849 5.581 1.00 0.00 C ATOM 92 O LYS 1 8 -4.866 14.302 4.775 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.382 14.095 7.719 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.596 14.189 6.804 1.00 0.00 C ATOM 95 CD LYS 1 8 -6.821 12.891 6.041 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.988 12.102 6.613 1.00 0.00 C ATOM 97 NZ LYS 1 8 -9.281 12.484 5.980 1.00 0.00 N ATOM 0 H LYS 1 8 -4.283 16.323 7.656 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.274 13.762 7.560 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.367 13.107 8.179 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.495 14.820 8.525 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.481 14.423 7.395 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.458 15.008 6.098 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -7.011 13.114 4.991 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -5.917 12.284 6.080 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.813 11.036 6.466 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -8.047 12.270 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -10.051 11.923 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -9.462 13.495 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -9.235 12.300 4.957 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.148 12.935 5.250 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.090 12.417 3.882 1.00 0.00 C ATOM 113 C ILE 1 9 -4.455 11.918 3.443 1.00 0.00 C ATOM 114 O ILE 1 9 -5.084 11.105 4.121 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.048 11.299 3.691 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.092 10.291 4.838 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.664 11.907 3.563 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -3.172 9.243 4.681 1.00 0.00 C ATOM 0 H ILE 1 9 -2.458 12.543 5.891 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.777 13.255 3.259 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.288 10.758 2.775 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -1.124 9.795 4.912 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.249 10.826 5.775 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.071 11.113 3.428 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.638 12.576 2.702 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.429 12.470 4.467 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.144 8.562 5.531 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -4.147 9.729 4.637 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -3.004 8.682 3.761 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.918 12.440 2.320 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.225 12.082 1.796 1.00 0.00 C ATOM 132 C LEU 1 10 -6.164 10.888 0.848 1.00 0.00 C ATOM 133 O LEU 1 10 -7.142 10.578 0.169 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.852 13.296 1.101 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.961 14.030 0.085 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -5.128 15.102 0.773 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -5.063 13.061 -0.675 1.00 0.00 C ATOM 0 H LEU 1 10 -4.406 13.115 1.752 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.850 11.781 2.637 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.757 12.969 0.590 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -7.158 14.009 1.866 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.618 14.512 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.505 15.608 0.035 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.789 15.827 1.249 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.492 14.640 1.528 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.448 13.615 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.420 12.533 0.029 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.679 12.341 -1.214 1.00 0.00 H new ATOM 149 N GLU 1 11 -5.017 10.221 0.816 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.829 9.050 -0.048 1.00 0.00 C ATOM 151 C GLU 1 11 -3.379 8.566 -0.050 1.00 0.00 C ATOM 152 O GLU 1 11 -2.892 8.074 -1.068 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.238 9.378 -1.486 1.00 0.00 C ATOM 154 CG GLU 1 11 -4.385 10.468 -2.115 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.380 9.921 -3.109 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -3.668 8.879 -3.733 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.304 10.536 -3.264 1.00 0.00 O ATOM 0 H GLU 1 11 -4.200 10.466 1.376 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.460 8.257 0.353 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -5.168 8.475 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.282 9.690 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -5.033 11.187 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.857 11.009 -1.330 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.684 8.705 1.075 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.289 8.277 1.151 1.00 0.00 C ATOM 166 C GLN 1 12 -1.098 7.099 2.106 1.00 0.00 C ATOM 167 O GLN 1 12 -1.003 5.950 1.675 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.392 9.442 1.577 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.602 10.718 0.774 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.438 10.512 -0.720 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -1.054 9.626 -1.309 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.398 11.336 -1.341 1.00 0.00 N ATOM 0 H GLN 1 12 -3.056 9.105 1.936 1.00 0.00 H new ATOM 0 HA GLN 1 12 -1.003 7.945 0.153 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.570 9.656 2.631 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.650 9.136 1.485 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.601 11.106 0.974 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.107 11.474 1.111 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.889 12.058 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.549 11.247 -2.346 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.018 7.391 3.400 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.810 6.343 4.386 1.00 0.00 C ATOM 183 C GLY 1 13 0.605 5.790 4.335 1.00 0.00 C ATOM 184 O GLY 1 13 0.861 4.675 4.791 1.00 0.00 O ATOM 0 H GLY 1 13 -1.093 8.333 3.785 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.010 6.737 5.382 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.522 5.536 4.214 1.00 0.00 H new ATOM 188 N GLU 1 14 1.518 6.584 3.767 1.00 0.00 N ATOM 189 CA GLU 1 14 2.932 6.217 3.619 1.00 0.00 C ATOM 190 C GLU 1 14 3.538 6.973 2.446 1.00 0.00 C ATOM 191 O GLU 1 14 4.744 7.215 2.402 1.00 0.00 O ATOM 192 CB GLU 1 14 3.109 4.710 3.407 1.00 0.00 C ATOM 193 CG GLU 1 14 3.503 3.960 4.668 1.00 0.00 C ATOM 194 CD GLU 1 14 3.249 2.469 4.564 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.033 1.780 3.879 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.265 1.990 5.166 1.00 0.00 O ATOM 0 H GLU 1 14 1.296 7.507 3.394 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.445 6.487 4.542 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.178 4.294 3.023 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.870 4.546 2.644 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.560 4.131 4.873 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.945 4.362 5.514 1.00 0.00 H new ATOM 203 N ASP 1 15 2.686 7.353 1.500 1.00 0.00 N ATOM 204 CA ASP 1 15 3.120 8.091 0.326 1.00 0.00 C ATOM 205 C ASP 1 15 3.905 9.334 0.728 1.00 0.00 C ATOM 206 O ASP 1 15 5.077 9.477 0.380 1.00 0.00 O ATOM 207 CB ASP 1 15 1.908 8.491 -0.516 1.00 0.00 C ATOM 208 CG ASP 1 15 2.069 8.136 -1.983 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.124 7.575 -2.349 1.00 0.00 O ATOM 210 OD2 ASP 1 15 1.140 8.421 -2.767 1.00 0.00 O ATOM 0 H ASP 1 15 1.685 7.159 1.527 1.00 0.00 H new ATOM 0 HA ASP 1 15 3.772 7.447 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.019 7.998 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.744 9.565 -0.422 1.00 0.00 H new ATOM 215 N CYS 1 16 3.250 10.236 1.461 1.00 0.00 N ATOM 216 CA CYS 1 16 3.892 11.470 1.904 1.00 0.00 C ATOM 217 C CYS 1 16 2.874 12.441 2.510 1.00 0.00 C ATOM 218 O CYS 1 16 1.682 12.372 2.222 1.00 0.00 O ATOM 219 CB CYS 1 16 4.627 12.118 0.721 1.00 0.00 C ATOM 220 SG CYS 1 16 4.736 13.941 0.777 1.00 0.00 S ATOM 0 H CYS 1 16 2.280 10.134 1.758 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.613 11.228 2.685 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.637 11.711 0.675 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.124 11.828 -0.201 1.00 0.00 H new ATOM 225 N ASP 1 17 3.369 13.349 3.346 1.00 0.00 N ATOM 226 CA ASP 1 17 2.531 14.346 3.999 1.00 0.00 C ATOM 227 C ASP 1 17 1.471 13.684 4.865 1.00 0.00 C ATOM 228 O ASP 1 17 0.389 14.239 5.058 1.00 0.00 O ATOM 229 CB ASP 1 17 1.865 15.245 2.956 1.00 0.00 C ATOM 230 CG ASP 1 17 2.709 16.456 2.612 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.375 16.994 3.522 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.705 16.868 1.433 1.00 0.00 O ATOM 0 H ASP 1 17 4.358 13.413 3.588 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.169 14.955 4.640 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.676 14.668 2.051 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.896 15.576 3.331 1.00 0.00 H new ATOM 237 N CYS 1 18 1.792 12.488 5.373 1.00 0.00 N ATOM 238 CA CYS 1 18 0.877 11.710 6.217 1.00 0.00 C ATOM 239 C CYS 1 18 -0.091 12.590 6.994 1.00 0.00 C ATOM 240 O CYS 1 18 -1.271 12.263 7.117 1.00 0.00 O ATOM 241 CB CYS 1 18 1.664 10.838 7.196 1.00 0.00 C ATOM 242 SG CYS 1 18 1.392 9.055 6.967 1.00 0.00 S ATOM 0 H CYS 1 18 2.691 12.033 5.211 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.292 11.082 5.545 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.727 11.052 7.085 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.388 11.111 8.215 1.00 0.00 H new ATOM 247 N GLY 1 19 0.411 13.697 7.524 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.434 14.580 8.291 1.00 0.00 C ATOM 249 C GLY 1 19 -0.884 13.943 9.580 1.00 0.00 C ATOM 250 O GLY 1 19 -0.471 14.361 10.658 1.00 0.00 O ATOM 0 H GLY 1 19 1.382 13.995 7.436 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.106 15.501 8.510 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.306 14.855 7.698 1.00 0.00 H new ATOM 254 N SER 1 20 -1.726 12.921 9.473 1.00 0.00 N ATOM 255 CA SER 1 20 -2.228 12.234 10.650 1.00 0.00 C ATOM 256 C SER 1 20 -1.073 11.830 11.555 1.00 0.00 C ATOM 257 O SER 1 20 -0.340 10.881 11.273 1.00 0.00 O ATOM 258 CB SER 1 20 -3.048 11.013 10.249 1.00 0.00 C ATOM 259 OG SER 1 20 -2.212 9.910 9.944 1.00 0.00 O ATOM 0 H SER 1 20 -2.072 12.554 8.587 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.878 12.915 11.199 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.726 10.745 11.059 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.665 11.255 9.384 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.280 10.209 9.895 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.891 12.576 12.653 1.00 0.00 N ATOM 266 CA PRO 1 21 0.186 12.339 13.615 1.00 0.00 C ATOM 267 C PRO 1 21 0.296 10.879 14.029 1.00 0.00 C ATOM 268 O PRO 1 21 1.368 10.415 14.416 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.205 13.219 14.800 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.982 14.335 14.190 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.726 13.730 13.031 1.00 0.00 C ATOM 0 HA PRO 1 21 1.165 12.575 13.199 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.804 12.667 15.525 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.674 13.589 15.328 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.672 14.772 14.912 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.321 15.135 13.856 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.732 13.422 13.316 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.831 14.437 12.208 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.810 10.149 13.928 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.814 8.735 14.277 1.00 0.00 C ATOM 281 C ALA 1 22 0.255 7.987 13.483 1.00 0.00 C ATOM 282 O ALA 1 22 0.704 6.913 13.884 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.187 8.131 14.022 1.00 0.00 C ATOM 0 H ALA 1 22 -1.709 10.511 13.609 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.585 8.639 15.338 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.174 7.074 14.287 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.930 8.649 14.628 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.441 8.237 12.967 1.00 0.00 H new ATOM 289 N ASN 1 23 0.658 8.569 12.354 1.00 0.00 N ATOM 290 CA ASN 1 23 1.673 7.970 11.500 1.00 0.00 C ATOM 291 C ASN 1 23 2.777 8.975 11.168 1.00 0.00 C ATOM 292 O ASN 1 23 3.476 8.831 10.165 1.00 0.00 O ATOM 293 CB ASN 1 23 1.032 7.457 10.210 1.00 0.00 C ATOM 294 CG ASN 1 23 0.041 6.338 10.462 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.217 5.967 11.607 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.521 5.793 9.389 1.00 0.00 N ATOM 0 H ASN 1 23 0.293 9.458 12.012 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.122 7.136 12.039 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.526 8.281 9.707 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.812 7.103 9.536 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.196 5.036 9.496 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.278 6.132 8.458 1.00 0.00 H new ATOM 303 N CYS 1 24 2.932 9.992 12.016 1.00 0.00 N ATOM 304 CA CYS 1 24 3.956 11.014 11.806 1.00 0.00 C ATOM 305 C CYS 1 24 5.247 10.636 12.523 1.00 0.00 C ATOM 306 O CYS 1 24 5.518 11.105 13.628 1.00 0.00 O ATOM 307 CB CYS 1 24 3.450 12.381 12.292 1.00 0.00 C ATOM 308 SG CYS 1 24 4.423 13.814 11.709 1.00 0.00 S ATOM 0 H CYS 1 24 2.364 10.129 12.852 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.166 11.080 10.738 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.417 12.506 11.968 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.444 12.383 13.382 1.00 0.00 H new ATOM 313 N GLN 1 25 6.036 9.778 11.881 1.00 0.00 N ATOM 314 CA GLN 1 25 7.301 9.322 12.446 1.00 0.00 C ATOM 315 C GLN 1 25 7.069 8.534 13.732 1.00 0.00 C ATOM 316 O GLN 1 25 7.384 9.004 14.825 1.00 0.00 O ATOM 317 CB GLN 1 25 8.225 10.512 12.718 1.00 0.00 C ATOM 318 CG GLN 1 25 9.083 10.899 11.525 1.00 0.00 C ATOM 319 CD GLN 1 25 10.176 11.885 11.889 1.00 0.00 C ATOM 320 OE1 GLN 1 25 11.311 11.769 11.428 1.00 0.00 O ATOM 321 NE2 GLN 1 25 9.838 12.863 12.721 1.00 0.00 N ATOM 0 H GLN 1 25 5.819 9.384 10.966 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.778 8.664 11.720 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.622 11.370 13.015 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.874 10.272 13.560 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.534 10.002 11.100 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.449 11.334 10.752 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 8.885 12.921 13.079 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.532 13.556 13.002 1.00 0.00 H new ATOM 330 N ASP 1 26 6.518 7.330 13.594 1.00 0.00 N ATOM 331 CA ASP 1 26 6.246 6.481 14.749 1.00 0.00 C ATOM 332 C ASP 1 26 5.679 5.128 14.325 1.00 0.00 C ATOM 333 O ASP 1 26 6.007 4.098 14.914 1.00 0.00 O ATOM 334 CB ASP 1 26 5.271 7.176 15.700 1.00 0.00 C ATOM 335 CG ASP 1 26 5.037 6.382 16.970 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.576 5.226 16.871 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.314 6.918 18.064 1.00 0.00 O ATOM 0 H ASP 1 26 6.252 6.923 12.697 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.191 6.308 15.263 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.659 8.162 15.957 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.320 7.331 15.191 1.00 0.00 H new ATOM 342 N ARG 1 27 4.821 5.134 13.308 1.00 0.00 N ATOM 343 CA ARG 1 27 4.207 3.902 12.823 1.00 0.00 C ATOM 344 C ARG 1 27 4.976 3.327 11.629 1.00 0.00 C ATOM 345 O ARG 1 27 5.898 2.530 11.805 1.00 0.00 O ATOM 346 CB ARG 1 27 2.740 4.150 12.455 1.00 0.00 C ATOM 347 CG ARG 1 27 2.054 2.948 11.822 1.00 0.00 C ATOM 348 CD ARG 1 27 0.593 2.860 12.231 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.025 1.612 11.791 1.00 0.00 N ATOM 350 CZ ARG 1 27 -1.340 1.428 11.701 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -2.178 2.407 12.019 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -1.819 0.261 11.291 1.00 0.00 N ATOM 0 H ARG 1 27 4.536 5.975 12.806 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.247 3.165 13.625 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.193 4.437 13.353 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.685 4.992 11.766 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 2.125 3.017 10.737 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.571 2.035 12.118 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.515 2.941 13.315 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.047 3.703 11.808 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.587 0.836 11.538 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -1.815 3.307 12.334 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -3.185 2.260 11.948 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -1.180 -0.495 11.045 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -2.827 0.119 11.222 1.00 0.00 H new ATOM 366 N CYS 1 28 4.590 3.724 10.417 1.00 0.00 N ATOM 367 CA CYS 1 28 5.245 3.233 9.209 1.00 0.00 C ATOM 368 C CYS 1 28 5.215 4.279 8.095 1.00 0.00 C ATOM 369 O CYS 1 28 5.397 3.952 6.922 1.00 0.00 O ATOM 370 CB CYS 1 28 4.560 1.951 8.730 1.00 0.00 C ATOM 371 SG CYS 1 28 5.676 0.760 7.921 1.00 0.00 S ATOM 0 H CYS 1 28 3.829 4.382 10.247 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.287 3.025 9.452 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.087 1.465 9.584 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.765 2.217 8.033 1.00 0.00 H new ATOM 376 N CYS 1 29 4.978 5.536 8.463 1.00 0.00 N ATOM 377 CA CYS 1 29 4.913 6.616 7.485 1.00 0.00 C ATOM 378 C CYS 1 29 5.535 7.897 8.034 1.00 0.00 C ATOM 379 O CYS 1 29 5.653 8.080 9.245 1.00 0.00 O ATOM 380 CB CYS 1 29 3.455 6.853 7.080 1.00 0.00 C ATOM 381 SG CYS 1 29 3.147 8.410 6.186 1.00 0.00 S ATOM 0 H CYS 1 29 4.828 5.830 9.428 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.487 6.325 6.605 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.128 6.022 6.455 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.837 6.839 7.978 1.00 0.00 H new ATOM 386 N ASN 1 30 5.936 8.773 7.121 1.00 0.00 N ATOM 387 CA ASN 1 30 6.556 10.039 7.477 1.00 0.00 C ATOM 388 C ASN 1 30 5.672 11.213 7.108 1.00 0.00 C ATOM 389 O ASN 1 30 5.625 11.640 5.954 1.00 0.00 O ATOM 390 CB ASN 1 30 7.904 10.172 6.782 1.00 0.00 C ATOM 391 CG ASN 1 30 8.971 9.310 7.426 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.145 9.469 8.731 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.629 8.512 6.759 1.00 0.00 N flip ATOM 0 H ASN 1 30 5.840 8.625 6.116 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.698 10.049 8.558 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.799 9.893 5.734 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.220 11.215 6.804 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.460 8.424 5.757 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.343 7.939 7.208 1.00 0.00 H new ATOM 400 N ALA 1 31 5.005 11.753 8.111 1.00 0.00 N ATOM 401 CA ALA 1 31 4.152 12.913 7.923 1.00 0.00 C ATOM 402 C ALA 1 31 5.014 14.165 7.913 1.00 0.00 C ATOM 403 O ALA 1 31 4.629 15.204 7.378 1.00 0.00 O ATOM 404 CB ALA 1 31 3.096 12.993 9.018 1.00 0.00 C ATOM 0 H ALA 1 31 5.038 11.405 9.069 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.630 12.825 6.970 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.469 13.870 8.856 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.478 12.096 8.994 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.584 13.071 9.989 1.00 0.00 H new ATOM 410 N ALA 1 32 6.199 14.039 8.508 1.00 0.00 N ATOM 411 CA ALA 1 32 7.150 15.137 8.575 1.00 0.00 C ATOM 412 C ALA 1 32 8.269 14.942 7.561 1.00 0.00 C ATOM 413 O ALA 1 32 9.002 15.877 7.240 1.00 0.00 O ATOM 414 CB ALA 1 32 7.728 15.242 9.977 1.00 0.00 C ATOM 0 H ALA 1 32 6.521 13.179 8.952 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.626 16.062 8.336 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.439 16.067 10.017 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.923 15.422 10.690 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.237 14.312 10.231 1.00 0.00 H new ATOM 420 N THR 1 33 8.405 13.712 7.077 1.00 0.00 N ATOM 421 CA THR 1 33 9.446 13.377 6.119 1.00 0.00 C ATOM 422 C THR 1 33 8.881 13.148 4.717 1.00 0.00 C ATOM 423 O THR 1 33 9.613 12.795 3.793 1.00 0.00 O ATOM 424 CB THR 1 33 10.210 12.150 6.611 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.787 11.791 7.915 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.691 12.368 6.684 1.00 0.00 C ATOM 0 H THR 1 33 7.804 12.930 7.335 1.00 0.00 H new ATOM 0 HA THR 1 33 10.130 14.222 6.044 1.00 0.00 H new ATOM 0 HB THR 1 33 9.997 11.367 5.883 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.563 11.519 8.448 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.175 11.459 7.040 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.071 12.617 5.693 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.905 13.186 7.371 1.00 0.00 H new ATOM 434 N CYS 1 34 7.582 13.382 4.560 1.00 0.00 N ATOM 435 CA CYS 1 34 6.917 13.237 3.269 1.00 0.00 C ATOM 436 C CYS 1 34 7.271 11.920 2.572 1.00 0.00 C ATOM 437 O CYS 1 34 7.663 11.910 1.406 1.00 0.00 O ATOM 438 CB CYS 1 34 7.265 14.441 2.381 1.00 0.00 C ATOM 439 SG CYS 1 34 6.723 14.317 0.643 1.00 0.00 S ATOM 0 H CYS 1 34 6.965 13.675 5.317 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.841 13.210 3.444 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.820 15.334 2.819 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.346 14.582 2.397 1.00 0.00 H new ATOM 444 N LYS 1 35 7.125 10.802 3.278 1.00 0.00 N ATOM 445 CA LYS 1 35 7.419 9.504 2.680 1.00 0.00 C ATOM 446 C LYS 1 35 7.160 8.356 3.641 1.00 0.00 C ATOM 447 O LYS 1 35 6.767 8.556 4.785 1.00 0.00 O ATOM 448 CB LYS 1 35 8.870 9.451 2.211 1.00 0.00 C ATOM 449 CG LYS 1 35 9.015 9.372 0.701 1.00 0.00 C ATOM 450 CD LYS 1 35 9.451 7.986 0.255 1.00 0.00 C ATOM 451 CE LYS 1 35 10.911 7.969 -0.167 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.552 6.653 0.104 1.00 0.00 N ATOM 0 H LYS 1 35 6.811 10.768 4.248 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.748 9.389 1.829 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.393 10.336 2.573 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.358 8.586 2.661 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.065 9.625 0.230 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.744 10.109 0.365 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.298 7.276 1.068 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.827 7.657 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.984 8.196 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.452 8.752 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.547 6.683 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.505 6.447 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.052 5.908 -0.423 1.00 0.00 H new ATOM 466 N LEU 1 36 7.410 7.148 3.161 1.00 0.00 N ATOM 467 CA LEU 1 36 7.240 5.950 3.975 1.00 0.00 C ATOM 468 C LEU 1 36 8.495 5.727 4.814 1.00 0.00 C ATOM 469 O LEU 1 36 9.571 6.214 4.466 1.00 0.00 O ATOM 470 CB LEU 1 36 6.971 4.731 3.091 1.00 0.00 C ATOM 471 CG LEU 1 36 7.999 4.495 1.982 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.298 3.011 1.837 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.501 5.073 0.665 1.00 0.00 C ATOM 0 H LEU 1 36 7.732 6.969 2.210 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.382 6.087 4.634 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.932 3.844 3.724 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.987 4.842 2.636 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.924 5.004 2.254 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.031 2.863 1.044 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.697 2.627 2.776 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.381 2.478 1.587 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.243 4.897 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.563 4.591 0.388 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.339 6.145 0.776 1.00 0.00 H new ATOM 485 N THR 1 37 8.362 5.009 5.924 1.00 0.00 N ATOM 486 CA THR 1 37 9.507 4.761 6.796 1.00 0.00 C ATOM 487 C THR 1 37 10.131 3.392 6.543 1.00 0.00 C ATOM 488 O THR 1 37 9.493 2.498 5.985 1.00 0.00 O ATOM 489 CB THR 1 37 9.095 4.882 8.261 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.900 4.168 8.511 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.875 6.312 8.696 1.00 0.00 C ATOM 0 H THR 1 37 7.486 4.593 6.239 1.00 0.00 H new ATOM 0 HA THR 1 37 10.259 5.516 6.567 1.00 0.00 H new ATOM 0 HB THR 1 37 9.925 4.465 8.831 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.068 3.207 8.422 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.584 6.332 9.746 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.797 6.878 8.564 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.085 6.759 8.092 1.00 0.00 H new ATOM 499 N PRO 1 38 11.400 3.215 6.959 1.00 0.00 N ATOM 500 CA PRO 1 38 12.130 1.956 6.788 1.00 0.00 C ATOM 501 C PRO 1 38 11.273 0.733 7.090 1.00 0.00 C ATOM 502 O PRO 1 38 10.394 0.774 7.951 1.00 0.00 O ATOM 503 CB PRO 1 38 13.260 2.085 7.805 1.00 0.00 C ATOM 504 CG PRO 1 38 13.548 3.545 7.850 1.00 0.00 C ATOM 505 CD PRO 1 38 12.227 4.238 7.636 1.00 0.00 C ATOM 0 HA PRO 1 38 12.465 1.808 5.761 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 12.960 1.708 8.783 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.138 1.515 7.499 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.985 3.827 8.808 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.265 3.825 7.078 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.782 4.552 8.580 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.339 5.132 7.023 1.00 0.00 H new ATOM 513 N GLY 1 39 11.531 -0.351 6.369 1.00 0.00 N ATOM 514 CA GLY 1 39 10.772 -1.571 6.566 1.00 0.00 C ATOM 515 C GLY 1 39 9.528 -1.625 5.698 1.00 0.00 C ATOM 516 O GLY 1 39 8.907 -2.678 5.558 1.00 0.00 O ATOM 0 H GLY 1 39 12.253 -0.407 5.651 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.405 -2.430 6.343 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 10.484 -1.651 7.614 1.00 0.00 H new ATOM 520 N SER 1 40 9.163 -0.486 5.113 1.00 0.00 N ATOM 521 CA SER 1 40 7.988 -0.408 4.256 1.00 0.00 C ATOM 522 C SER 1 40 8.364 -0.637 2.796 1.00 0.00 C ATOM 523 O SER 1 40 8.986 0.216 2.163 1.00 0.00 O ATOM 524 CB SER 1 40 7.309 0.955 4.415 1.00 0.00 C ATOM 525 OG SER 1 40 6.418 1.210 3.343 1.00 0.00 O ATOM 0 H SER 1 40 9.666 0.395 5.219 1.00 0.00 H new ATOM 0 HA SER 1 40 7.293 -1.191 4.558 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.765 0.986 5.359 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.065 1.739 4.457 1.00 0.00 H new ATOM 0 HG SER 1 40 5.669 1.755 3.663 1.00 0.00 H new ATOM 531 N GLN 1 41 7.980 -1.794 2.265 1.00 0.00 N ATOM 532 CA GLN 1 41 8.275 -2.133 0.877 1.00 0.00 C ATOM 533 C GLN 1 41 7.406 -1.318 -0.073 1.00 0.00 C ATOM 534 O GLN 1 41 7.767 -1.099 -1.230 1.00 0.00 O ATOM 535 CB GLN 1 41 8.048 -3.627 0.632 1.00 0.00 C ATOM 536 CG GLN 1 41 8.935 -4.525 1.479 1.00 0.00 C ATOM 537 CD GLN 1 41 9.255 -5.840 0.795 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.356 -6.573 0.383 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.541 -6.145 0.672 1.00 0.00 N ATOM 0 H GLN 1 41 7.464 -2.512 2.774 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.322 -1.896 0.686 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.004 -3.865 0.836 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 8.225 -3.845 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.864 -4.002 1.706 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.441 -4.725 2.430 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 11.253 -5.507 1.028 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.817 -7.017 0.221 1.00 0.00 H new ATOM 548 N CYS 1 42 6.258 -0.872 0.423 1.00 0.00 N ATOM 549 CA CYS 1 42 5.333 -0.082 -0.377 1.00 0.00 C ATOM 550 C CYS 1 42 4.410 0.736 0.516 1.00 0.00 C ATOM 551 O CYS 1 42 3.951 0.260 1.554 1.00 0.00 O ATOM 552 CB CYS 1 42 4.510 -0.996 -1.284 1.00 0.00 C ATOM 553 SG CYS 1 42 3.330 -0.113 -2.351 1.00 0.00 S ATOM 0 H CYS 1 42 5.946 -1.045 1.378 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.913 0.605 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 5.188 -1.575 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.963 -1.707 -0.665 1.00 0.00 H new ATOM 558 N ASN 1 43 4.139 1.968 0.104 1.00 0.00 N ATOM 559 CA ASN 1 43 3.267 2.850 0.867 1.00 0.00 C ATOM 560 C ASN 1 43 1.826 2.369 0.783 1.00 0.00 C ATOM 561 O ASN 1 43 1.081 2.417 1.762 1.00 0.00 O ATOM 562 CB ASN 1 43 3.370 4.283 0.341 1.00 0.00 C ATOM 563 CG ASN 1 43 3.195 4.360 -1.163 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.125 4.059 -1.692 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.250 4.765 -1.862 1.00 0.00 N ATOM 0 H ASN 1 43 4.510 2.378 -0.753 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.584 2.833 1.910 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.612 4.900 0.824 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.340 4.698 0.613 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.192 4.836 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.118 5.005 -1.383 1.00 0.00 H new ATOM 572 N TYR 1 44 1.449 1.900 -0.398 1.00 0.00 N ATOM 573 CA TYR 1 44 0.103 1.397 -0.639 1.00 0.00 C ATOM 574 C TYR 1 44 -0.031 0.931 -2.082 1.00 0.00 C ATOM 575 O TYR 1 44 0.814 1.239 -2.922 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.939 2.478 -0.342 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.951 3.596 -1.358 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.469 3.396 -2.631 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.439 4.847 -1.045 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.477 4.411 -3.564 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.443 5.870 -1.971 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.963 5.648 -3.231 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.969 6.665 -4.158 1.00 0.00 O ATOM 0 H TYR 1 44 2.063 1.857 -1.212 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.073 0.553 0.028 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.927 2.019 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.746 2.897 0.646 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.872 2.429 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.031 5.023 -0.061 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.883 4.239 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.042 6.839 -1.712 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.345 7.367 -3.878 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.096 0.196 -2.370 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.308 -0.288 -3.718 1.00 0.00 C ATOM 595 C GLY 1 45 -1.897 -1.682 -3.753 1.00 0.00 C ATOM 596 O GLY 1 45 -2.275 -2.234 -2.719 1.00 0.00 O ATOM 0 H GLY 1 45 -1.814 -0.073 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.973 0.396 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.359 -0.286 -4.254 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.979 -2.248 -4.950 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.531 -3.582 -5.132 1.00 0.00 C ATOM 602 C GLU 1 46 -1.762 -4.623 -4.326 1.00 0.00 C ATOM 603 O GLU 1 46 -2.358 -5.478 -3.671 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.502 -3.956 -6.612 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.639 -3.349 -7.417 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.264 -3.107 -8.866 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.052 -3.058 -9.165 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.181 -2.967 -9.701 1.00 0.00 O ATOM 0 H GLU 1 46 -1.668 -1.801 -5.812 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.560 -3.570 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.553 -3.634 -7.041 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -2.542 -5.041 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.503 -4.012 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.939 -2.406 -6.961 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.437 -4.558 -4.392 1.00 0.00 N ATOM 616 CA CYS 1 47 0.410 -5.511 -3.682 1.00 0.00 C ATOM 617 C CYS 1 47 1.044 -4.890 -2.445 1.00 0.00 C ATOM 618 O CYS 1 47 2.126 -5.296 -2.037 1.00 0.00 O ATOM 619 CB CYS 1 47 1.514 -6.014 -4.610 1.00 0.00 C ATOM 620 SG CYS 1 47 1.080 -7.512 -5.540 1.00 0.00 S ATOM 0 H CYS 1 47 0.074 -3.857 -4.929 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.223 -6.339 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.769 -5.223 -5.315 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.408 -6.213 -4.018 1.00 0.00 H new ATOM 625 N CYS 1 48 0.386 -3.903 -1.854 1.00 0.00 N ATOM 626 CA CYS 1 48 0.934 -3.244 -0.673 1.00 0.00 C ATOM 627 C CYS 1 48 0.015 -3.397 0.533 1.00 0.00 C ATOM 628 O CYS 1 48 -1.176 -3.092 0.466 1.00 0.00 O ATOM 629 CB CYS 1 48 1.182 -1.766 -0.972 1.00 0.00 C ATOM 630 SG CYS 1 48 1.844 -1.462 -2.644 1.00 0.00 S ATOM 0 H CYS 1 48 -0.516 -3.543 -2.166 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.880 -3.725 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.247 -1.218 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.880 -1.367 -0.236 1.00 0.00 H new ATOM 635 N ASP 1 49 0.582 -3.876 1.638 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.179 -4.075 2.865 1.00 0.00 C ATOM 637 C ASP 1 49 0.679 -3.787 4.093 1.00 0.00 C ATOM 638 O ASP 1 49 1.714 -4.420 4.304 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.718 -5.506 2.929 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.112 -5.573 3.522 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -3.031 -4.950 2.950 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.283 -6.248 4.559 1.00 0.00 O ATOM 0 H ASP 1 49 1.567 -4.133 1.707 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.017 -3.378 2.859 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.732 -5.931 1.925 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.043 -6.119 3.525 1.00 0.00 H new ATOM 647 N GLN 1 50 0.236 -2.829 4.900 1.00 0.00 N ATOM 648 CA GLN 1 50 0.949 -2.446 6.114 1.00 0.00 C ATOM 649 C GLN 1 50 2.311 -1.839 5.786 1.00 0.00 C ATOM 650 O GLN 1 50 2.458 -0.617 5.742 1.00 0.00 O ATOM 651 CB GLN 1 50 1.110 -3.655 7.042 1.00 0.00 C ATOM 652 CG GLN 1 50 1.885 -3.350 8.314 1.00 0.00 C ATOM 653 CD GLN 1 50 1.193 -2.321 9.186 1.00 0.00 C ATOM 654 OE1 GLN 1 50 1.338 -1.050 8.832 1.00 0.00 O flip ATOM 655 NE2 GLN 1 50 0.534 -2.665 10.168 1.00 0.00 N flip ATOM 0 H GLN 1 50 -0.620 -2.300 4.734 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.358 -1.687 6.627 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.122 -4.030 7.310 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.618 -4.453 6.500 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.020 -4.270 8.882 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 2.879 -2.989 8.051 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.449 -3.654 10.404 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.074 -1.961 10.745 1.00 0.00 H new ATOM 664 N CYS 1 51 3.305 -2.693 5.560 1.00 0.00 N ATOM 665 CA CYS 1 51 4.655 -2.229 5.243 1.00 0.00 C ATOM 666 C CYS 1 51 5.419 -3.260 4.414 1.00 0.00 C ATOM 667 O CYS 1 51 6.649 -3.292 4.435 1.00 0.00 O ATOM 668 CB CYS 1 51 5.438 -1.931 6.528 1.00 0.00 C ATOM 669 SG CYS 1 51 4.541 -0.914 7.746 1.00 0.00 S ATOM 0 H CYS 1 51 3.203 -3.707 5.590 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.555 -1.315 4.657 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.714 -2.876 6.996 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.365 -1.423 6.263 1.00 0.00 H new ATOM 674 N ARG 1 52 4.691 -4.102 3.687 1.00 0.00 N ATOM 675 CA ARG 1 52 5.318 -5.129 2.859 1.00 0.00 C ATOM 676 C ARG 1 52 4.427 -5.501 1.679 1.00 0.00 C ATOM 677 O ARG 1 52 3.247 -5.154 1.648 1.00 0.00 O ATOM 678 CB ARG 1 52 5.616 -6.374 3.695 1.00 0.00 C ATOM 679 CG ARG 1 52 6.990 -6.356 4.345 1.00 0.00 C ATOM 680 CD ARG 1 52 7.950 -7.310 3.652 1.00 0.00 C ATOM 681 NE ARG 1 52 9.345 -6.938 3.873 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.022 -7.220 4.985 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.435 -7.876 5.979 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.288 -6.846 5.103 1.00 0.00 N ATOM 0 H ARG 1 52 3.672 -4.095 3.654 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.253 -4.724 2.471 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.857 -6.470 4.472 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.535 -7.256 3.060 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.395 -5.345 4.313 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.899 -6.630 5.396 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.782 -8.323 4.018 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.742 -7.320 2.582 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.830 -6.432 3.132 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 8.461 -8.167 5.893 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.958 -8.089 6.828 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.744 -6.342 4.342 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.806 -7.062 5.955 1.00 0.00 H new ATOM 698 N PHE 1 53 4.997 -6.214 0.710 1.00 0.00 N ATOM 699 CA PHE 1 53 4.242 -6.632 -0.464 1.00 0.00 C ATOM 700 C PHE 1 53 3.278 -7.755 -0.108 1.00 0.00 C ATOM 701 O PHE 1 53 3.614 -8.650 0.668 1.00 0.00 O ATOM 702 CB PHE 1 53 5.178 -7.088 -1.589 1.00 0.00 C ATOM 703 CG PHE 1 53 5.837 -5.957 -2.327 1.00 0.00 C ATOM 704 CD1 PHE 1 53 5.145 -4.786 -2.589 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.148 -6.067 -2.765 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.743 -3.748 -3.269 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.753 -5.029 -3.447 1.00 0.00 C ATOM 708 CZ PHE 1 53 7.050 -3.867 -3.700 1.00 0.00 C ATOM 0 H PHE 1 53 5.973 -6.512 0.716 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.672 -5.772 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.949 -7.733 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.611 -7.691 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 4.123 -4.685 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.702 -6.974 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 5.190 -2.841 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.775 -5.126 -3.782 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.521 -3.054 -4.233 1.00 0.00 H new ATOM 718 N LYS 1 54 2.081 -7.707 -0.679 1.00 0.00 N ATOM 719 CA LYS 1 54 1.077 -8.731 -0.414 1.00 0.00 C ATOM 720 C LYS 1 54 1.578 -10.096 -0.865 1.00 0.00 C ATOM 721 O LYS 1 54 1.367 -10.495 -2.005 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.237 -8.388 -1.121 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.336 -7.940 -0.172 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.276 -6.947 -0.837 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.652 -5.818 0.108 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.664 -4.905 -0.492 1.00 0.00 N ATOM 0 H LYS 1 54 1.783 -6.976 -1.324 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.895 -8.765 0.660 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.053 -7.599 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.581 -9.261 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.902 -8.808 0.166 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.891 -7.485 0.713 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.801 -6.535 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.178 -7.463 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.045 -6.236 1.035 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -1.759 -5.250 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -3.893 -4.149 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.280 -4.486 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.526 -5.442 -0.717 1.00 0.00 H new ATOM 740 N LYS 1 55 2.249 -10.801 0.044 1.00 0.00 N ATOM 741 CA LYS 1 55 2.805 -12.132 -0.235 1.00 0.00 C ATOM 742 C LYS 1 55 2.120 -12.805 -1.423 1.00 0.00 C ATOM 743 O LYS 1 55 0.889 -12.879 -1.484 1.00 0.00 O ATOM 744 CB LYS 1 55 2.684 -13.022 1.003 1.00 0.00 C ATOM 745 CG LYS 1 55 3.438 -14.337 0.883 1.00 0.00 C ATOM 746 CD LYS 1 55 4.941 -14.125 0.946 1.00 0.00 C ATOM 747 CE LYS 1 55 5.696 -15.315 0.376 1.00 0.00 C ATOM 748 NZ LYS 1 55 7.170 -15.103 0.404 1.00 0.00 N ATOM 0 H LYS 1 55 2.424 -10.471 0.993 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.856 -11.997 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.057 -12.477 1.870 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.631 -13.232 1.188 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.130 -15.008 1.685 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.177 -14.823 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.206 -13.225 0.391 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.244 -13.962 1.980 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.447 -16.210 0.946 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.374 -15.491 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.648 -15.937 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 7.411 -14.264 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.482 -14.960 1.386 1.00 0.00 H new ATOM 762 N ALA 1 56 2.925 -13.289 -2.370 1.00 0.00 N ATOM 763 CA ALA 1 56 2.399 -13.949 -3.555 1.00 0.00 C ATOM 764 C ALA 1 56 1.258 -14.879 -3.193 1.00 0.00 C ATOM 765 O ALA 1 56 1.299 -15.566 -2.172 1.00 0.00 O ATOM 766 CB ALA 1 56 3.486 -14.722 -4.275 1.00 0.00 C ATOM 0 H ALA 1 56 3.943 -13.234 -2.335 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.022 -13.175 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.065 -15.205 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.278 -14.038 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.897 -15.479 -3.607 1.00 0.00 H new ATOM 772 N GLY 1 57 0.234 -14.875 -4.021 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.922 -15.704 -3.757 1.00 0.00 C ATOM 774 C GLY 1 57 -2.080 -14.881 -3.240 1.00 0.00 C ATOM 775 O GLY 1 57 -3.212 -15.360 -3.170 1.00 0.00 O ATOM 0 H GLY 1 57 0.178 -14.315 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.219 -16.220 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.663 -16.471 -3.027 1.00 0.00 H new ATOM 779 N THR 1 58 -1.795 -13.628 -2.892 1.00 0.00 N ATOM 780 CA THR 1 58 -2.817 -12.719 -2.403 1.00 0.00 C ATOM 781 C THR 1 58 -3.596 -12.135 -3.575 1.00 0.00 C ATOM 782 O THR 1 58 -3.045 -11.388 -4.383 1.00 0.00 O ATOM 783 CB THR 1 58 -2.180 -11.591 -1.592 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.501 -12.105 -0.460 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.189 -10.579 -1.105 1.00 0.00 C ATOM 0 H THR 1 58 -0.860 -13.223 -2.942 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.499 -13.274 -1.759 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.485 -11.097 -2.270 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.618 -12.433 -0.729 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.679 -9.802 -0.535 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.695 -10.130 -1.959 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.922 -11.074 -0.468 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.874 -12.480 -3.672 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.704 -11.985 -4.760 1.00 0.00 C ATOM 795 C VAL 1 59 -6.022 -10.503 -4.587 1.00 0.00 C ATOM 796 O VAL 1 59 -6.690 -10.111 -3.630 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.029 -12.769 -4.873 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.841 -12.635 -3.594 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.832 -12.296 -6.079 1.00 0.00 C ATOM 0 H VAL 1 59 -5.354 -13.096 -3.016 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.128 -12.128 -5.674 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.793 -13.824 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.771 -13.194 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.267 -13.030 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.067 -11.584 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.762 -12.861 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.058 -11.235 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.251 -12.453 -6.988 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.546 -9.683 -5.519 1.00 0.00 N ATOM 810 CA CYS 1 60 -5.793 -8.245 -5.461 1.00 0.00 C ATOM 811 C CYS 1 60 -6.895 -7.828 -6.435 1.00 0.00 C ATOM 812 O CYS 1 60 -7.545 -6.800 -6.245 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.519 -7.465 -5.777 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.032 -8.084 -4.930 1.00 0.00 S ATOM 0 H CYS 1 60 -4.990 -9.986 -6.319 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.118 -8.014 -4.446 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.348 -7.492 -6.853 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.670 -6.420 -5.505 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.092 -8.622 -7.484 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.105 -8.322 -8.494 1.00 0.00 C ATOM 821 C ARG 1 61 -8.701 -9.601 -9.081 1.00 0.00 C ATOM 822 O ARG 1 61 -8.352 -10.709 -8.675 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.501 -7.466 -9.616 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.271 -6.181 -9.886 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.222 -5.769 -11.358 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.984 -6.177 -12.027 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.771 -5.763 -11.669 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.620 -4.894 -10.678 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.703 -6.212 -12.316 1.00 0.00 N ATOM 0 H ARG 1 61 -6.564 -9.478 -7.658 1.00 0.00 H new ATOM 0 HA ARG 1 61 -8.905 -7.765 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -6.472 -7.215 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.464 -8.056 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.310 -6.313 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -7.860 -5.379 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.072 -6.208 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.327 -4.687 -11.430 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.056 -6.819 -12.817 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.438 -4.537 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.686 -4.582 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.813 -6.873 -13.085 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.772 -5.897 -12.044 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.598 -9.430 -10.044 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.244 -10.552 -10.708 1.00 0.00 C ATOM 845 C ILE 1 62 -11.214 -10.049 -11.763 1.00 0.00 C ATOM 846 O ILE 1 62 -11.978 -9.114 -11.527 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.996 -11.460 -9.716 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.707 -12.598 -10.454 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -11.994 -10.649 -8.907 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.764 -13.541 -11.168 1.00 0.00 C ATOM 0 H ILE 1 62 -9.896 -8.516 -10.384 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.457 -11.143 -11.176 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.267 -11.897 -9.033 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.303 -13.166 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.400 -12.172 -11.180 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.517 -11.305 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.467 -9.875 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.715 -10.184 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.339 -14.321 -11.668 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.185 -12.987 -11.907 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.088 -13.996 -10.444 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.170 -10.669 -12.930 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.040 -10.277 -14.025 1.00 0.00 C ATOM 864 C ALA 1 63 -13.513 -10.465 -13.644 1.00 0.00 C ATOM 865 O ALA 1 63 -14.093 -9.606 -12.980 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.669 -11.031 -15.297 1.00 0.00 C ATOM 0 H ALA 1 63 -10.542 -11.444 -13.143 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.898 -9.215 -14.226 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.331 -10.725 -16.107 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.637 -10.805 -15.566 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.773 -12.103 -15.128 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.118 -11.582 -14.045 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.516 -11.845 -13.712 1.00 0.00 C ATOM 874 C ARG 1 64 -15.742 -13.323 -13.408 1.00 0.00 C ATOM 875 O ARG 1 64 -16.130 -14.091 -14.285 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.425 -11.405 -14.861 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.689 -9.908 -14.889 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.309 -9.427 -13.588 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.416 -10.279 -13.160 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.605 -10.304 -13.758 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.845 -9.527 -14.807 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.557 -11.108 -13.305 1.00 0.00 N ATOM 0 H ARG 1 64 -13.667 -12.313 -14.596 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.762 -11.271 -12.819 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.972 -11.703 -15.806 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.376 -11.932 -14.783 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.754 -9.376 -15.066 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.354 -9.670 -15.720 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.546 -9.405 -12.809 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.666 -8.405 -13.713 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.269 -10.890 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -19.116 -8.906 -15.159 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.758 -9.551 -15.261 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.378 -11.707 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.468 -11.128 -13.763 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.515 -13.717 -12.162 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.709 -15.103 -11.784 1.00 0.00 C ATOM 898 C GLY 1 65 -14.476 -15.704 -11.148 1.00 0.00 C ATOM 899 O GLY 1 65 -14.164 -15.425 -9.991 1.00 0.00 O ATOM 0 H GLY 1 65 -15.201 -13.105 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.545 -15.174 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.979 -15.683 -12.666 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.769 -16.528 -11.912 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.555 -17.170 -11.424 1.00 0.00 C ATOM 905 C ASP 1 66 -11.949 -18.085 -12.481 1.00 0.00 C ATOM 906 O ASP 1 66 -12.294 -19.263 -12.577 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.841 -17.963 -10.146 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.740 -17.813 -9.114 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.729 -18.539 -9.215 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.889 -16.969 -8.205 1.00 0.00 O ATOM 0 H ASP 1 66 -14.016 -16.767 -12.872 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.834 -16.384 -11.199 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.785 -17.628 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.961 -19.017 -10.395 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.037 -17.529 -13.267 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.360 -18.275 -14.323 1.00 0.00 C ATOM 917 C TRP 1 67 -8.859 -18.273 -14.086 1.00 0.00 C ATOM 918 O TRP 1 67 -8.256 -19.298 -13.767 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.660 -17.657 -15.695 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.440 -16.378 -15.622 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.022 -15.175 -15.119 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.781 -16.179 -16.068 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.027 -14.252 -15.219 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.115 -14.841 -15.803 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.731 -17.006 -16.665 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.358 -14.311 -16.116 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.969 -16.480 -16.978 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.274 -15.141 -16.704 1.00 0.00 C ATOM 0 H TRP 1 67 -10.746 -16.554 -13.193 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.728 -19.301 -14.307 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.719 -17.470 -16.213 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.216 -18.378 -16.295 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.043 -14.983 -14.704 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.974 -13.282 -14.908 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.503 -18.040 -16.879 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.595 -13.279 -15.903 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.713 -17.111 -17.441 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.250 -14.756 -16.961 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.276 -17.097 -14.243 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.848 -16.901 -14.051 1.00 0.00 C ATOM 941 C ASN 1 68 -6.595 -16.184 -12.738 1.00 0.00 C ATOM 942 O ASN 1 68 -5.589 -16.419 -12.069 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.265 -16.072 -15.194 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.959 -16.328 -16.521 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.162 -15.780 -16.679 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.422 -17.010 -17.393 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.779 -16.250 -14.507 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.366 -17.879 -14.034 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.344 -15.014 -14.946 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.203 -16.297 -15.295 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.499 -17.411 -17.230 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.900 -17.174 -18.279 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.526 -15.307 -12.375 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.426 -14.547 -11.141 1.00 0.00 C ATOM 955 C ASP 1 69 -6.296 -13.539 -11.193 1.00 0.00 C ATOM 956 O ASP 1 69 -5.480 -13.535 -12.114 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.178 -15.477 -9.966 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.129 -16.658 -9.942 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -7.826 -17.678 -10.597 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.176 -16.564 -9.268 1.00 0.00 O ATOM 0 H ASP 1 69 -8.362 -15.107 -12.924 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.371 -14.018 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.152 -15.843 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.279 -14.916 -9.037 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.242 -12.711 -10.163 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.200 -11.715 -10.033 1.00 0.00 C ATOM 967 C ASP 1 70 -4.496 -11.915 -8.712 1.00 0.00 C ATOM 968 O ASP 1 70 -5.092 -11.735 -7.654 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.776 -10.305 -10.118 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.689 -9.253 -10.161 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.563 -9.553 -9.716 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -4.962 -8.132 -10.634 1.00 0.00 O ATOM 0 H ASP 1 70 -6.917 -12.713 -9.399 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.491 -11.831 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.399 -10.220 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.422 -10.124 -9.259 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.242 -12.334 -8.770 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.499 -12.607 -7.556 1.00 0.00 C ATOM 979 C TYR 1 71 -1.166 -11.897 -7.490 1.00 0.00 C ATOM 980 O TYR 1 71 -0.473 -11.733 -8.493 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.270 -14.100 -7.437 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.509 -14.842 -7.044 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.945 -14.811 -5.737 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.240 -15.564 -7.973 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.079 -15.480 -5.348 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.381 -16.242 -7.602 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.800 -16.200 -6.284 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.938 -16.874 -5.904 1.00 0.00 O ATOM 0 H TYR 1 71 -2.724 -12.490 -9.635 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.100 -12.229 -6.729 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.907 -14.485 -8.390 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.490 -14.287 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.384 -14.250 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.912 -15.596 -9.001 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.406 -15.445 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.944 -16.802 -8.334 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.325 -17.327 -6.682 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.811 -11.505 -6.277 1.00 0.00 N ATOM 999 CA CYS 1 72 0.448 -10.834 -6.029 1.00 0.00 C ATOM 1000 C CYS 1 72 1.609 -11.789 -6.269 1.00 0.00 C ATOM 1001 O CYS 1 72 1.419 -13.003 -6.347 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.487 -10.318 -4.596 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.714 -9.003 -4.327 1.00 0.00 S ATOM 0 H CYS 1 72 -1.384 -11.643 -5.445 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.539 -9.991 -6.714 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.500 -9.942 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.705 -11.149 -3.925 1.00 0.00 H new ATOM 1008 N THR 1 73 2.808 -11.237 -6.387 1.00 0.00 N ATOM 1009 CA THR 1 73 3.996 -12.046 -6.622 1.00 0.00 C ATOM 1010 C THR 1 73 5.040 -11.827 -5.526 1.00 0.00 C ATOM 1011 O THR 1 73 6.151 -12.350 -5.605 1.00 0.00 O ATOM 1012 CB THR 1 73 4.587 -11.714 -7.992 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.350 -10.522 -7.935 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.531 -11.536 -9.064 1.00 0.00 C ATOM 0 H THR 1 73 2.984 -10.234 -6.324 1.00 0.00 H new ATOM 0 HA THR 1 73 3.705 -13.096 -6.601 1.00 0.00 H new ATOM 0 HB THR 1 73 5.213 -12.566 -8.255 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.721 -10.328 -8.821 1.00 0.00 H new ATOM 0 HG21 THR 1 73 4.012 -11.302 -10.014 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.957 -12.457 -9.165 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.863 -10.721 -8.785 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.675 -11.057 -4.503 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.590 -10.790 -3.408 1.00 0.00 C ATOM 1024 C GLY 1 74 6.902 -10.188 -3.871 1.00 0.00 C ATOM 1025 O GLY 1 74 7.915 -10.288 -3.178 1.00 0.00 O ATOM 0 H GLY 1 74 3.761 -10.613 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.114 -10.111 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.790 -11.719 -2.874 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.889 -9.560 -5.043 1.00 0.00 N ATOM 1030 CA LYS 1 75 8.093 -8.944 -5.588 1.00 0.00 C ATOM 1031 C LYS 1 75 7.778 -7.631 -6.302 1.00 0.00 C ATOM 1032 O LYS 1 75 8.603 -7.119 -7.059 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.787 -9.903 -6.557 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.938 -11.315 -6.017 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.285 -11.912 -6.388 1.00 0.00 C ATOM 1036 CE LYS 1 75 10.432 -13.328 -5.858 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.084 -13.419 -4.413 1.00 0.00 N ATOM 0 H LYS 1 75 6.061 -9.465 -5.631 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.758 -8.726 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 8.220 -9.938 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.774 -9.509 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.830 -11.304 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.139 -11.944 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.396 -11.915 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 11.084 -11.288 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.789 -13.998 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 11.457 -13.667 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.432 -14.320 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.525 -12.630 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.051 -13.371 -4.301 1.00 0.00 H new ATOM 1051 N SER 1 76 6.587 -7.087 -6.065 1.00 0.00 N ATOM 1052 CA SER 1 76 6.191 -5.835 -6.699 1.00 0.00 C ATOM 1053 C SER 1 76 4.946 -5.246 -6.042 1.00 0.00 C ATOM 1054 O SER 1 76 4.251 -5.919 -5.281 1.00 0.00 O ATOM 1055 CB SER 1 76 5.936 -6.056 -8.190 1.00 0.00 C ATOM 1056 OG SER 1 76 7.130 -5.906 -8.940 1.00 0.00 O ATOM 0 H SER 1 76 5.885 -7.490 -5.444 1.00 0.00 H new ATOM 0 HA SER 1 76 7.009 -5.125 -6.573 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.527 -7.054 -8.348 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.189 -5.345 -8.544 1.00 0.00 H new ATOM 0 HG SER 1 76 7.868 -6.349 -8.472 1.00 0.00 H new ATOM 1062 N SER 1 77 4.673 -3.983 -6.354 1.00 0.00 N ATOM 1063 CA SER 1 77 3.513 -3.283 -5.810 1.00 0.00 C ATOM 1064 C SER 1 77 2.299 -3.443 -6.722 1.00 0.00 C ATOM 1065 O SER 1 77 1.282 -2.774 -6.538 1.00 0.00 O ATOM 1066 CB SER 1 77 3.835 -1.798 -5.633 1.00 0.00 C ATOM 1067 OG SER 1 77 5.202 -1.607 -5.315 1.00 0.00 O ATOM 0 H SER 1 77 5.243 -3.420 -6.985 1.00 0.00 H new ATOM 0 HA SER 1 77 3.275 -3.721 -4.841 1.00 0.00 H new ATOM 0 HB2 SER 1 77 3.593 -1.259 -6.549 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.213 -1.379 -4.842 1.00 0.00 H new ATOM 0 HG SER 1 77 5.574 -2.440 -4.958 1.00 0.00 H new ATOM 1073 N ASP 1 78 2.409 -4.335 -7.702 1.00 0.00 N ATOM 1074 CA ASP 1 78 1.317 -4.577 -8.637 1.00 0.00 C ATOM 1075 C ASP 1 78 0.865 -6.033 -8.588 1.00 0.00 C ATOM 1076 O ASP 1 78 1.661 -6.937 -8.333 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.746 -4.211 -10.059 1.00 0.00 C ATOM 1078 CG ASP 1 78 3.055 -4.863 -10.454 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 4.119 -4.252 -10.218 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.018 -5.986 -11.001 1.00 0.00 O ATOM 0 H ASP 1 78 3.241 -4.901 -7.868 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.477 -3.948 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.967 -4.513 -10.759 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.844 -3.128 -10.139 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.422 -6.245 -8.833 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.005 -7.581 -8.818 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.529 -7.962 -10.206 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.562 -7.453 -10.642 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.146 -7.626 -7.802 1.00 0.00 C ATOM 1090 SG CYS 1 79 -1.884 -8.805 -6.440 1.00 0.00 S ATOM 0 H CYS 1 79 -1.087 -5.502 -9.046 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.233 -8.297 -8.536 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.285 -6.629 -7.383 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.069 -7.885 -8.320 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.830 -8.863 -10.920 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.246 -9.300 -12.261 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.512 -10.157 -12.232 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.598 -11.127 -11.481 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.054 -10.129 -12.747 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.599 -10.617 -11.501 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.414 -9.525 -10.485 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.491 -8.455 -12.905 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.378 -10.959 -13.375 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.631 -9.526 -13.343 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.145 -11.548 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.657 -10.820 -11.668 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.324 -9.926 -9.475 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.257 -8.834 -10.480 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.491 -9.784 -13.056 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.764 -10.511 -13.130 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.786 -11.534 -14.260 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.652 -12.407 -14.308 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.932 -9.543 -13.290 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.876 -8.679 -14.517 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.815 -8.458 -15.350 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.955 -7.911 -15.035 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.176 -7.582 -16.346 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.489 -7.235 -16.172 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.273 -7.733 -14.636 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.304 -6.387 -16.914 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.087 -6.894 -15.372 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.599 -6.228 -16.501 1.00 0.00 C ATOM 0 H TRP 1 81 -3.429 -8.982 -13.683 1.00 0.00 H new ATOM 0 HA TRP 1 81 -4.867 -11.053 -12.190 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.859 -10.116 -13.309 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -5.973 -8.899 -12.412 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.838 -8.905 -15.242 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.566 -7.246 -17.092 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.656 -8.242 -13.764 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -6.928 -5.872 -17.786 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.114 -6.750 -15.072 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -9.256 -5.576 -17.057 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.834 -11.416 -15.160 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.726 -12.322 -16.298 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.989 -12.277 -17.154 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.500 -13.313 -17.580 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.472 -13.752 -15.815 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.258 -13.850 -14.913 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.125 -13.654 -15.354 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.488 -14.155 -13.641 1.00 0.00 N ATOM 0 H ASN 1 82 -3.113 -10.695 -15.130 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.884 -11.997 -16.910 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.350 -14.113 -15.279 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.334 -14.405 -16.677 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.709 -14.235 -12.987 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.443 -14.309 -13.318 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.487 -11.070 -17.402 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.691 -10.891 -18.206 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.495 -9.790 -19.242 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.293 -9.733 -20.202 1.00 0.00 O ATOM 1151 CB HIS 1 83 -7.881 -10.557 -17.306 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.033 -11.498 -16.153 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.378 -11.087 -14.883 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.878 -12.841 -16.082 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.428 -12.136 -14.082 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.129 -13.211 -14.786 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -5.547 -8.992 -19.086 1.00 0.00 O ATOM 0 H HIS 1 83 -5.076 -10.202 -17.058 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.891 -11.825 -18.731 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -7.766 -9.542 -16.925 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -8.794 -10.573 -17.902 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.565 -10.124 -14.605 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.607 -13.498 -16.895 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.672 -12.117 -13.030 1.00 0.00 H new