USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 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= -0.133 F(o=-11,f=-9.4) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -9.25! C(o=-11!,f=-9.4!) USER MOD Set 2.1: 1 37 THR OG1 : rot 39:sc= -2.18! USER MOD Set 2.2: 1 40 SER OG : rot -71:sc= 1.52 USER MOD Set 3.1: 1 25 GLN : amide:sc= -0.329 K(o=-5.9,f=-7.5) USER MOD Set 3.2: 1 30 ASN :FLIP amide:sc= -2.93! C(o=-9.9!,f=-5.9!) USER MOD Set 3.3: 1 33 THR OG1 : rot -156:sc= -2.62! USER MOD Single : 1 7 ASN : amide:sc= -0.914 K(o=-0.91,f=-1.5) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -0.153 X(o=-0.15,f=0.076) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -3.73 K(o=-3.7,f=-6.6!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -2.6 K(o=-2.6,f=-10!) USER MOD Single : 1 43 ASN : amide:sc= -2.36 K(o=-2.4,f=-5.8!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.2) 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 79:sc= 0.422 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc=-0.00676 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.00317 USER MOD Single : 1 82 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -2.616 16.299 12.182 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.683 17.402 12.331 1.00 0.00 C ATOM 44 C VAL 1 4 -0.243 17.000 12.012 1.00 0.00 C ATOM 45 O VAL 1 4 0.536 16.659 12.902 1.00 0.00 O ATOM 46 CB VAL 1 4 -1.735 17.967 13.756 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -1.532 16.847 14.758 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -0.696 19.063 13.933 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.992 18.162 11.613 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.715 18.412 13.931 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -1.570 17.252 15.769 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.319 16.103 14.636 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -0.562 16.380 14.590 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -0.747 19.452 14.950 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 0.298 18.655 13.750 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -0.893 19.869 13.226 1.00 0.00 H new ATOM 58 N CYS 1 5 0.103 17.099 10.746 1.00 0.00 N ATOM 59 CA CYS 1 5 1.449 16.813 10.261 1.00 0.00 C ATOM 60 C CYS 1 5 1.412 16.885 8.750 1.00 0.00 C ATOM 61 O CYS 1 5 0.980 15.938 8.091 1.00 0.00 O ATOM 62 CB CYS 1 5 1.949 15.445 10.741 1.00 0.00 C ATOM 63 SG CYS 1 5 3.656 15.474 11.392 1.00 0.00 S ATOM 0 H CYS 1 5 -0.545 17.383 10.011 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.151 17.546 10.660 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 1.280 15.075 11.518 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 1.897 14.738 9.913 1.00 0.00 H new ATOM 68 N GLY 1 6 1.794 18.033 8.197 1.00 0.00 N ATOM 69 CA GLY 1 6 1.707 18.200 6.761 1.00 0.00 C ATOM 70 C GLY 1 6 0.306 17.847 6.288 1.00 0.00 C ATOM 71 O GLY 1 6 0.104 17.439 5.144 1.00 0.00 O ATOM 0 H GLY 1 6 2.156 18.837 8.709 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.944 19.229 6.490 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.440 17.563 6.266 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.657 17.979 7.210 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.051 17.649 6.946 1.00 0.00 C ATOM 77 C ASN 1 7 -2.172 16.177 6.590 1.00 0.00 C ATOM 78 O ASN 1 7 -1.597 15.726 5.600 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.632 18.510 5.818 1.00 0.00 C ATOM 80 CG ASN 1 7 -1.858 19.797 5.596 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -1.045 19.895 4.677 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.109 20.791 6.440 1.00 0.00 N ATOM 0 H ASN 1 7 -0.485 18.318 8.157 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.623 17.856 7.851 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.638 17.932 4.894 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.669 18.752 6.050 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -1.619 21.680 6.341 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -2.791 20.665 7.188 1.00 0.00 H new ATOM 89 N LYS 1 8 -2.912 15.424 7.405 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.087 13.997 7.161 1.00 0.00 C ATOM 91 C LYS 1 8 -3.305 13.744 5.673 1.00 0.00 C ATOM 92 O LYS 1 8 -4.321 14.154 5.112 1.00 0.00 O ATOM 93 CB LYS 1 8 -4.260 13.441 7.968 1.00 0.00 C ATOM 94 CG LYS 1 8 -4.413 11.930 7.863 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.091 11.517 6.564 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.343 10.695 6.825 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.342 10.841 5.730 1.00 0.00 N ATOM 0 H LYS 1 8 -3.395 15.777 8.232 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.181 13.483 7.482 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -4.130 13.712 9.016 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.181 13.915 7.628 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -3.431 11.461 7.925 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -4.995 11.564 8.709 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.352 12.406 5.990 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.395 10.938 5.957 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.072 9.645 6.931 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -6.791 11.006 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.181 10.265 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.620 11.839 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.924 10.521 4.833 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.333 13.103 5.029 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.416 12.843 3.592 1.00 0.00 C ATOM 113 C ILE 1 9 -3.800 12.383 3.168 1.00 0.00 C ATOM 114 O ILE 1 9 -4.490 11.673 3.898 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.388 11.804 3.113 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.570 10.470 3.848 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.021 12.350 3.274 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -0.518 10.186 4.897 1.00 0.00 C ATOM 0 H ILE 1 9 -1.484 12.756 5.474 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.193 13.801 3.123 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.554 11.609 2.053 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -2.551 10.462 4.323 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.563 9.662 3.116 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.741 11.606 2.932 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.129 13.259 2.682 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.205 12.577 4.324 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -0.723 9.224 5.367 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 0.465 10.159 4.428 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -0.537 10.971 5.653 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.191 12.796 1.972 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.487 12.436 1.424 1.00 0.00 C ATOM 132 C LEU 1 10 -5.338 11.426 0.293 1.00 0.00 C ATOM 133 O LEU 1 10 -6.283 11.162 -0.451 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.212 13.690 0.929 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.387 14.634 0.042 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.502 15.535 0.891 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.551 13.859 -0.970 1.00 0.00 C ATOM 0 H LEU 1 10 -3.625 13.384 1.360 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.079 11.973 2.213 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.096 13.379 0.372 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.562 14.250 1.796 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.085 15.260 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.926 16.195 0.242 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.124 16.133 1.557 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.821 14.923 1.482 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.980 14.558 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.867 13.194 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.208 13.270 -1.610 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.142 10.868 0.174 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.858 9.885 -0.866 1.00 0.00 C ATOM 151 C GLU 1 11 -2.470 9.262 -0.712 1.00 0.00 C ATOM 152 O GLU 1 11 -2.241 8.136 -1.154 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.989 10.525 -2.249 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.950 11.600 -2.523 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.446 12.659 -3.487 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.678 12.780 -3.653 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.603 13.367 -4.077 1.00 0.00 O ATOM 0 H GLU 1 11 -3.352 11.078 0.784 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.591 9.085 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.905 9.748 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.984 10.960 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.667 12.074 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.051 11.136 -2.930 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.543 9.989 -0.095 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.189 9.483 0.094 1.00 0.00 C ATOM 166 C GLN 1 12 0.010 8.945 1.509 1.00 0.00 C ATOM 167 O GLN 1 12 0.795 9.490 2.285 1.00 0.00 O ATOM 168 CB GLN 1 12 0.848 10.574 -0.210 1.00 0.00 C ATOM 169 CG GLN 1 12 0.487 11.953 0.314 1.00 0.00 C ATOM 170 CD GLN 1 12 0.516 13.016 -0.767 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.304 12.938 -1.710 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.347 14.017 -0.636 1.00 0.00 N ATOM 0 H GLN 1 12 -1.704 10.924 0.280 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.045 8.660 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 1.805 10.276 0.218 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.986 10.635 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.508 11.919 0.758 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 1.181 12.229 1.108 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.982 14.042 0.162 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.375 14.761 -1.333 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.703 7.867 1.840 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.588 7.265 3.163 1.00 0.00 C ATOM 183 C GLY 1 13 0.735 6.546 3.367 1.00 0.00 C ATOM 184 O GLY 1 13 0.761 5.404 3.824 1.00 0.00 O ATOM 0 H GLY 1 13 -1.359 7.399 1.215 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.696 8.041 3.921 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.406 6.560 3.309 1.00 0.00 H new ATOM 188 N GLU 1 14 1.827 7.229 3.017 1.00 0.00 N ATOM 189 CA GLU 1 14 3.195 6.702 3.130 1.00 0.00 C ATOM 190 C GLU 1 14 4.032 7.272 2.003 1.00 0.00 C ATOM 191 O GLU 1 14 5.227 7.522 2.161 1.00 0.00 O ATOM 192 CB GLU 1 14 3.236 5.171 3.082 1.00 0.00 C ATOM 193 CG GLU 1 14 3.247 4.520 4.454 1.00 0.00 C ATOM 194 CD GLU 1 14 2.574 3.162 4.461 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.048 2.260 3.738 1.00 0.00 O ATOM 196 OE2 GLU 1 14 1.572 2.999 5.189 1.00 0.00 O ATOM 0 H GLU 1 14 1.789 8.177 2.642 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.594 7.003 4.099 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.372 4.810 2.525 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.123 4.857 2.533 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.277 4.412 4.793 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.744 5.174 5.166 1.00 0.00 H new ATOM 203 N ASP 1 15 3.379 7.509 0.871 1.00 0.00 N ATOM 204 CA ASP 1 15 4.036 8.091 -0.286 1.00 0.00 C ATOM 205 C ASP 1 15 4.816 9.329 0.149 1.00 0.00 C ATOM 206 O ASP 1 15 5.855 9.664 -0.420 1.00 0.00 O ATOM 207 CB ASP 1 15 2.979 8.441 -1.339 1.00 0.00 C ATOM 208 CG ASP 1 15 3.408 9.558 -2.274 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.261 10.739 -1.896 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.891 9.250 -3.384 1.00 0.00 O ATOM 0 H ASP 1 15 2.389 7.304 0.733 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.737 7.381 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.754 7.551 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.057 8.732 -0.835 1.00 0.00 H new ATOM 215 N CYS 1 16 4.302 9.987 1.186 1.00 0.00 N ATOM 216 CA CYS 1 16 4.929 11.173 1.747 1.00 0.00 C ATOM 217 C CYS 1 16 3.991 11.852 2.739 1.00 0.00 C ATOM 218 O CYS 1 16 2.834 12.129 2.431 1.00 0.00 O ATOM 219 CB CYS 1 16 5.355 12.148 0.641 1.00 0.00 C ATOM 220 SG CYS 1 16 5.332 13.912 1.127 1.00 0.00 S ATOM 0 H CYS 1 16 3.441 9.711 1.657 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.828 10.863 2.280 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.362 11.888 0.314 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.697 12.013 -0.217 1.00 0.00 H new ATOM 225 N ASP 1 17 4.508 12.111 3.934 1.00 0.00 N ATOM 226 CA ASP 1 17 3.739 12.755 4.994 1.00 0.00 C ATOM 227 C ASP 1 17 2.812 11.753 5.674 1.00 0.00 C ATOM 228 O ASP 1 17 1.624 11.697 5.371 1.00 0.00 O ATOM 229 CB ASP 1 17 2.932 13.936 4.442 1.00 0.00 C ATOM 230 CG ASP 1 17 3.043 15.170 5.316 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.707 15.080 6.515 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.466 16.226 4.800 1.00 0.00 O ATOM 0 H ASP 1 17 5.467 11.882 4.196 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.442 13.135 5.735 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 3.281 14.173 3.437 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.884 13.648 4.356 1.00 0.00 H new ATOM 237 N CYS 1 18 3.374 10.963 6.591 1.00 0.00 N ATOM 238 CA CYS 1 18 2.624 9.945 7.334 1.00 0.00 C ATOM 239 C CYS 1 18 1.168 10.340 7.525 1.00 0.00 C ATOM 240 O CYS 1 18 0.268 9.508 7.403 1.00 0.00 O ATOM 241 CB CYS 1 18 3.268 9.716 8.709 1.00 0.00 C ATOM 242 SG CYS 1 18 3.004 8.060 9.437 1.00 0.00 S ATOM 0 H CYS 1 18 4.362 11.010 6.840 1.00 0.00 H new ATOM 0 HA CYS 1 18 2.654 9.027 6.747 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.341 9.888 8.621 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.881 10.464 9.401 1.00 0.00 H new ATOM 247 N GLY 1 19 0.941 11.607 7.845 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.406 12.074 8.067 1.00 0.00 C ATOM 249 C GLY 1 19 -0.886 11.758 9.465 1.00 0.00 C ATOM 250 O GLY 1 19 -1.766 12.437 9.993 1.00 0.00 O ATOM 0 H GLY 1 19 1.666 12.316 7.954 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.449 13.151 7.902 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.075 11.613 7.340 1.00 0.00 H new ATOM 254 N SER 1 20 -0.294 10.734 10.076 1.00 0.00 N ATOM 255 CA SER 1 20 -0.656 10.349 11.424 1.00 0.00 C ATOM 256 C SER 1 20 0.231 11.074 12.419 1.00 0.00 C ATOM 257 O SER 1 20 1.377 10.684 12.641 1.00 0.00 O ATOM 258 CB SER 1 20 -0.531 8.841 11.616 1.00 0.00 C ATOM 259 OG SER 1 20 -0.634 8.155 10.380 1.00 0.00 O ATOM 0 H SER 1 20 0.437 10.161 9.654 1.00 0.00 H new ATOM 0 HA SER 1 20 -1.696 10.627 11.594 1.00 0.00 H new ATOM 0 HB2 SER 1 20 0.426 8.610 12.084 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -1.310 8.493 12.294 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.549 7.191 10.533 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.278 12.154 13.024 1.00 0.00 N ATOM 266 CA PRO 1 21 0.487 12.940 13.984 1.00 0.00 C ATOM 267 C PRO 1 21 1.017 12.098 15.135 1.00 0.00 C ATOM 268 O PRO 1 21 2.148 12.288 15.583 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.514 13.986 14.487 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.854 13.466 14.087 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.625 12.705 12.817 1.00 0.00 C ATOM 0 HA PRO 1 21 1.375 13.379 13.528 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.446 14.109 15.568 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -0.321 14.962 14.042 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.272 12.822 14.861 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -2.562 14.281 13.934 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.368 11.921 12.673 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.670 13.352 11.941 1.00 0.00 H new ATOM 279 N ALA 1 22 0.206 11.152 15.603 1.00 0.00 N ATOM 280 CA ALA 1 22 0.619 10.273 16.692 1.00 0.00 C ATOM 281 C ALA 1 22 1.991 9.677 16.397 1.00 0.00 C ATOM 282 O ALA 1 22 2.749 9.342 17.308 1.00 0.00 O ATOM 283 CB ALA 1 22 -0.408 9.171 16.902 1.00 0.00 C ATOM 0 H ALA 1 22 -0.734 10.976 15.248 1.00 0.00 H new ATOM 0 HA ALA 1 22 0.686 10.859 17.608 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -0.086 8.524 17.718 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -1.372 9.615 17.150 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -0.503 8.584 15.989 1.00 0.00 H new ATOM 289 N ASN 1 23 2.302 9.561 15.109 1.00 0.00 N ATOM 290 CA ASN 1 23 3.578 9.023 14.666 1.00 0.00 C ATOM 291 C ASN 1 23 4.133 9.858 13.514 1.00 0.00 C ATOM 292 O ASN 1 23 4.444 9.330 12.445 1.00 0.00 O ATOM 293 CB ASN 1 23 3.411 7.567 14.225 1.00 0.00 C ATOM 294 CG ASN 1 23 2.803 6.701 15.310 1.00 0.00 C ATOM 295 OD1 ASN 1 23 1.733 7.005 15.837 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.484 5.612 15.651 1.00 0.00 N ATOM 0 H ASN 1 23 1.679 9.836 14.350 1.00 0.00 H new ATOM 0 HA ASN 1 23 4.281 9.062 15.498 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 2.780 7.529 13.337 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.383 7.162 13.942 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.123 4.991 16.375 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.367 5.397 15.188 1.00 0.00 H new ATOM 303 N CYS 1 24 4.249 11.168 13.734 1.00 0.00 N ATOM 304 CA CYS 1 24 4.761 12.075 12.707 1.00 0.00 C ATOM 305 C CYS 1 24 6.062 11.545 12.104 1.00 0.00 C ATOM 306 O CYS 1 24 6.404 11.862 10.966 1.00 0.00 O ATOM 307 CB CYS 1 24 4.987 13.478 13.284 1.00 0.00 C ATOM 308 SG CYS 1 24 3.524 14.568 13.206 1.00 0.00 S ATOM 0 H CYS 1 24 3.996 11.623 14.611 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.012 12.135 11.917 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 5.300 13.384 14.324 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 5.808 13.952 12.745 1.00 0.00 H new ATOM 313 N GLN 1 25 6.780 10.734 12.875 1.00 0.00 N ATOM 314 CA GLN 1 25 8.038 10.156 12.417 1.00 0.00 C ATOM 315 C GLN 1 25 8.195 8.730 12.941 1.00 0.00 C ATOM 316 O GLN 1 25 9.193 8.396 13.580 1.00 0.00 O ATOM 317 CB GLN 1 25 9.217 11.020 12.874 1.00 0.00 C ATOM 318 CG GLN 1 25 9.697 12.000 11.817 1.00 0.00 C ATOM 319 CD GLN 1 25 10.959 11.533 11.119 1.00 0.00 C ATOM 320 OE1 GLN 1 25 11.093 10.359 10.773 1.00 0.00 O ATOM 321 NE2 GLN 1 25 11.894 12.452 10.909 1.00 0.00 N ATOM 0 H GLN 1 25 6.511 10.462 13.821 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.027 10.125 11.327 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.926 11.574 13.766 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 10.045 10.370 13.158 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 8.910 12.145 11.077 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 9.881 12.969 12.282 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 11.741 13.414 11.212 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 12.765 12.196 10.444 1.00 0.00 H new ATOM 330 N ASP 1 26 7.197 7.893 12.670 1.00 0.00 N ATOM 331 CA ASP 1 26 7.223 6.506 13.118 1.00 0.00 C ATOM 332 C ASP 1 26 6.073 5.710 12.497 1.00 0.00 C ATOM 333 O ASP 1 26 5.540 6.088 11.455 1.00 0.00 O ATOM 334 CB ASP 1 26 7.146 6.449 14.646 1.00 0.00 C ATOM 335 CG ASP 1 26 8.058 5.389 15.232 1.00 0.00 C ATOM 336 OD1 ASP 1 26 9.238 5.333 14.829 1.00 0.00 O ATOM 337 OD2 ASP 1 26 7.590 4.615 16.093 1.00 0.00 O ATOM 0 H ASP 1 26 6.363 8.151 12.143 1.00 0.00 H new ATOM 0 HA ASP 1 26 8.160 6.055 12.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 7.414 7.422 15.057 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 6.118 6.247 14.948 1.00 0.00 H new ATOM 342 N ARG 1 27 5.701 4.604 13.143 1.00 0.00 N ATOM 343 CA ARG 1 27 4.621 3.750 12.658 1.00 0.00 C ATOM 344 C ARG 1 27 5.007 3.071 11.342 1.00 0.00 C ATOM 345 O ARG 1 27 5.597 1.991 11.349 1.00 0.00 O ATOM 346 CB ARG 1 27 3.324 4.555 12.495 1.00 0.00 C ATOM 347 CG ARG 1 27 2.181 3.756 11.887 1.00 0.00 C ATOM 348 CD ARG 1 27 0.829 4.303 12.316 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.227 3.300 12.205 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.712 2.860 11.046 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -0.240 3.330 9.899 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -1.673 1.946 11.035 1.00 0.00 N ATOM 0 H ARG 1 27 6.135 4.279 14.007 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.449 2.971 13.400 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 3.015 4.930 13.470 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 3.522 5.424 11.867 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 2.256 3.781 10.800 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.265 2.712 12.189 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.890 4.653 13.347 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.575 5.166 11.701 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.615 2.914 13.066 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.499 4.033 9.901 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -0.616 2.988 9.015 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -2.040 1.581 11.914 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -2.045 1.608 10.148 1.00 0.00 H new ATOM 366 N CYS 1 28 4.672 3.698 10.216 1.00 0.00 N ATOM 367 CA CYS 1 28 4.991 3.130 8.911 1.00 0.00 C ATOM 368 C CYS 1 28 5.206 4.214 7.854 1.00 0.00 C ATOM 369 O CYS 1 28 5.311 3.913 6.664 1.00 0.00 O ATOM 370 CB CYS 1 28 3.874 2.182 8.467 1.00 0.00 C ATOM 371 SG CYS 1 28 4.386 0.438 8.338 1.00 0.00 S ATOM 0 H CYS 1 28 4.183 4.593 10.182 1.00 0.00 H new ATOM 0 HA CYS 1 28 5.925 2.576 9.011 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.047 2.256 9.174 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.496 2.511 7.499 1.00 0.00 H new ATOM 376 N CYS 1 29 5.278 5.472 8.281 1.00 0.00 N ATOM 377 CA CYS 1 29 5.483 6.573 7.346 1.00 0.00 C ATOM 378 C CYS 1 29 6.239 7.722 7.984 1.00 0.00 C ATOM 379 O CYS 1 29 6.426 7.777 9.200 1.00 0.00 O ATOM 380 CB CYS 1 29 4.151 7.075 6.783 1.00 0.00 C ATOM 381 SG CYS 1 29 2.704 6.808 7.864 1.00 0.00 S ATOM 0 H CYS 1 29 5.198 5.752 9.259 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.087 6.182 6.527 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.240 8.142 6.578 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.968 6.581 5.829 1.00 0.00 H new ATOM 386 N ASN 1 30 6.679 8.630 7.131 1.00 0.00 N ATOM 387 CA ASN 1 30 7.433 9.793 7.548 1.00 0.00 C ATOM 388 C ASN 1 30 6.612 11.054 7.375 1.00 0.00 C ATOM 389 O ASN 1 30 6.576 11.653 6.301 1.00 0.00 O ATOM 390 CB ASN 1 30 8.718 9.882 6.733 1.00 0.00 C ATOM 391 CG ASN 1 30 9.865 9.125 7.371 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.981 9.225 8.688 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.640 8.457 6.686 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.521 8.579 6.125 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.681 9.694 8.605 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.538 9.487 5.733 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.998 10.929 6.616 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.514 8.407 5.675 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.408 7.953 7.130 1.00 0.00 H new ATOM 400 N ALA 1 31 5.974 11.457 8.458 1.00 0.00 N ATOM 401 CA ALA 1 31 5.165 12.662 8.466 1.00 0.00 C ATOM 402 C ALA 1 31 6.082 13.867 8.569 1.00 0.00 C ATOM 403 O ALA 1 31 5.745 14.968 8.133 1.00 0.00 O ATOM 404 CB ALA 1 31 4.164 12.627 9.615 1.00 0.00 C ATOM 0 H ALA 1 31 6.001 10.963 9.350 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.593 12.729 7.541 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.566 13.539 9.605 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.510 11.763 9.501 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.699 12.555 10.562 1.00 0.00 H new ATOM 410 N ALA 1 32 7.265 13.628 9.127 1.00 0.00 N ATOM 411 CA ALA 1 32 8.272 14.666 9.270 1.00 0.00 C ATOM 412 C ALA 1 32 9.369 14.492 8.224 1.00 0.00 C ATOM 413 O ALA 1 32 10.393 15.173 8.269 1.00 0.00 O ATOM 414 CB ALA 1 32 8.867 14.635 10.669 1.00 0.00 C ATOM 0 H ALA 1 32 7.548 12.717 9.489 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.796 15.634 9.115 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.620 15.418 10.762 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 8.079 14.801 11.403 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 9.330 13.664 10.846 1.00 0.00 H new ATOM 420 N THR 1 33 9.165 13.552 7.301 1.00 0.00 N ATOM 421 CA THR 1 33 10.159 13.272 6.275 1.00 0.00 C ATOM 422 C THR 1 33 9.536 13.115 4.886 1.00 0.00 C ATOM 423 O THR 1 33 10.225 12.767 3.928 1.00 0.00 O ATOM 424 CB THR 1 33 10.952 12.021 6.658 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.645 11.606 7.981 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.438 12.228 6.606 1.00 0.00 C ATOM 0 H THR 1 33 8.324 12.977 7.246 1.00 0.00 H new ATOM 0 HA THR 1 33 10.831 14.128 6.219 1.00 0.00 H new ATOM 0 HB THR 1 33 10.662 11.269 5.925 1.00 0.00 H new ATOM 0 HG1 THR 1 33 11.392 11.083 8.341 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.944 11.305 6.888 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.731 12.508 5.594 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.719 13.022 7.298 1.00 0.00 H new ATOM 434 N CYS 1 34 8.243 13.401 4.776 1.00 0.00 N ATOM 435 CA CYS 1 34 7.542 13.321 3.495 1.00 0.00 C ATOM 436 C CYS 1 34 7.849 12.023 2.738 1.00 0.00 C ATOM 437 O CYS 1 34 8.212 12.056 1.563 1.00 0.00 O ATOM 438 CB CYS 1 34 7.912 14.539 2.634 1.00 0.00 C ATOM 439 SG CYS 1 34 7.260 14.515 0.925 1.00 0.00 S ATOM 0 H CYS 1 34 7.657 13.691 5.559 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.472 13.320 3.702 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.549 15.439 3.131 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.998 14.616 2.590 1.00 0.00 H new ATOM 444 N LYS 1 35 7.695 10.872 3.393 1.00 0.00 N ATOM 445 CA LYS 1 35 7.951 9.605 2.713 1.00 0.00 C ATOM 446 C LYS 1 35 7.545 8.407 3.555 1.00 0.00 C ATOM 447 O LYS 1 35 7.070 8.547 4.676 1.00 0.00 O ATOM 448 CB LYS 1 35 9.426 9.488 2.351 1.00 0.00 C ATOM 449 CG LYS 1 35 9.670 9.254 0.869 1.00 0.00 C ATOM 450 CD LYS 1 35 10.206 7.856 0.606 1.00 0.00 C ATOM 451 CE LYS 1 35 11.692 7.878 0.288 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.314 6.534 0.443 1.00 0.00 N ATOM 0 H LYS 1 35 7.402 10.791 4.367 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.343 9.602 1.808 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.940 10.399 2.656 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.867 8.668 2.918 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.740 9.397 0.319 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.379 9.993 0.495 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 10.029 7.228 1.479 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.662 7.407 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.839 8.230 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.193 8.588 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.327 6.592 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 12.196 6.208 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.853 5.862 -0.203 1.00 0.00 H new ATOM 466 N LEU 1 36 7.756 7.222 2.997 1.00 0.00 N ATOM 467 CA LEU 1 36 7.443 5.981 3.693 1.00 0.00 C ATOM 468 C LEU 1 36 8.563 5.652 4.675 1.00 0.00 C ATOM 469 O LEU 1 36 9.668 6.182 4.560 1.00 0.00 O ATOM 470 CB LEU 1 36 7.259 4.834 2.696 1.00 0.00 C ATOM 471 CG LEU 1 36 8.381 4.684 1.664 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.877 3.246 1.613 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.905 5.133 0.290 1.00 0.00 C ATOM 0 H LEU 1 36 8.144 7.094 2.062 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.509 6.108 4.240 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.171 3.901 3.252 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.317 4.980 2.167 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.212 5.321 1.967 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.674 3.162 0.874 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 9.259 2.958 2.592 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 8.054 2.587 1.336 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.715 5.020 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.057 4.522 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.602 6.179 0.334 1.00 0.00 H new ATOM 485 N THR 1 37 8.280 4.793 5.647 1.00 0.00 N ATOM 486 CA THR 1 37 9.283 4.431 6.643 1.00 0.00 C ATOM 487 C THR 1 37 10.294 3.429 6.097 1.00 0.00 C ATOM 488 O THR 1 37 9.981 2.626 5.218 1.00 0.00 O ATOM 489 CB THR 1 37 8.618 3.860 7.890 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.558 2.989 7.541 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.065 4.929 8.800 1.00 0.00 C ATOM 0 H THR 1 37 7.375 4.338 5.767 1.00 0.00 H new ATOM 0 HA THR 1 37 9.819 5.344 6.902 1.00 0.00 H new ATOM 0 HB THR 1 37 9.401 3.320 8.422 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.816 2.457 6.759 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.604 4.463 9.671 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.873 5.584 9.125 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.318 5.513 8.263 1.00 0.00 H new ATOM 499 N PRO 1 38 11.529 3.464 6.628 1.00 0.00 N ATOM 500 CA PRO 1 38 12.602 2.557 6.210 1.00 0.00 C ATOM 501 C PRO 1 38 12.169 1.095 6.241 1.00 0.00 C ATOM 502 O PRO 1 38 11.535 0.646 7.196 1.00 0.00 O ATOM 503 CB PRO 1 38 13.695 2.807 7.251 1.00 0.00 C ATOM 504 CG PRO 1 38 13.464 4.203 7.707 1.00 0.00 C ATOM 505 CD PRO 1 38 11.974 4.393 7.687 1.00 0.00 C ATOM 0 HA PRO 1 38 12.916 2.741 5.183 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.623 2.102 8.079 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.689 2.690 6.819 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.866 4.360 8.708 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.959 4.917 7.049 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.524 4.151 8.650 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.703 5.424 7.459 1.00 0.00 H new ATOM 513 N GLY 1 39 12.514 0.356 5.192 1.00 0.00 N ATOM 514 CA GLY 1 39 12.150 -1.047 5.123 1.00 0.00 C ATOM 515 C GLY 1 39 10.846 -1.273 4.384 1.00 0.00 C ATOM 516 O GLY 1 39 10.643 -2.323 3.776 1.00 0.00 O ATOM 0 H GLY 1 39 13.039 0.703 4.389 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.946 -1.602 4.626 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 12.065 -1.447 6.133 1.00 0.00 H new ATOM 520 N SER 1 40 9.959 -0.284 4.437 1.00 0.00 N ATOM 521 CA SER 1 40 8.668 -0.378 3.767 1.00 0.00 C ATOM 522 C SER 1 40 8.852 -0.602 2.270 1.00 0.00 C ATOM 523 O SER 1 40 9.644 0.082 1.622 1.00 0.00 O ATOM 524 CB SER 1 40 7.850 0.892 4.015 1.00 0.00 C ATOM 525 OG SER 1 40 7.844 1.233 5.390 1.00 0.00 O ATOM 0 H SER 1 40 10.111 0.592 4.937 1.00 0.00 H new ATOM 0 HA SER 1 40 8.129 -1.231 4.178 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.266 1.716 3.434 1.00 0.00 H new ATOM 0 HB3 SER 1 40 6.827 0.743 3.669 1.00 0.00 H new ATOM 0 HG SER 1 40 7.294 0.590 5.884 1.00 0.00 H new ATOM 531 N GLN 1 41 8.125 -1.574 1.730 1.00 0.00 N ATOM 532 CA GLN 1 41 8.218 -1.900 0.312 1.00 0.00 C ATOM 533 C GLN 1 41 7.270 -1.047 -0.521 1.00 0.00 C ATOM 534 O GLN 1 41 7.531 -0.782 -1.695 1.00 0.00 O ATOM 535 CB GLN 1 41 7.907 -3.381 0.088 1.00 0.00 C ATOM 536 CG GLN 1 41 9.106 -4.291 0.295 1.00 0.00 C ATOM 537 CD GLN 1 41 9.406 -4.537 1.760 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.855 -3.876 2.640 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.284 -5.495 2.029 1.00 0.00 N ATOM 0 H GLN 1 41 7.465 -2.150 2.253 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.238 -1.688 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.110 -3.683 0.767 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.530 -3.515 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 8.923 -5.245 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.980 -3.848 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.717 -6.018 1.268 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.526 -5.708 2.997 1.00 0.00 H new ATOM 548 N CYS 1 42 6.165 -0.627 0.081 1.00 0.00 N ATOM 549 CA CYS 1 42 5.184 0.183 -0.626 1.00 0.00 C ATOM 550 C CYS 1 42 4.381 1.052 0.334 1.00 0.00 C ATOM 551 O CYS 1 42 4.032 0.626 1.434 1.00 0.00 O ATOM 552 CB CYS 1 42 4.242 -0.720 -1.421 1.00 0.00 C ATOM 553 SG CYS 1 42 2.986 0.179 -2.381 1.00 0.00 S ATOM 0 H CYS 1 42 5.927 -0.833 1.051 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.721 0.843 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.833 -1.334 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.740 -1.399 -0.732 1.00 0.00 H new ATOM 558 N ASN 1 43 4.086 2.272 -0.101 1.00 0.00 N ATOM 559 CA ASN 1 43 3.316 3.208 0.706 1.00 0.00 C ATOM 560 C ASN 1 43 1.844 2.818 0.709 1.00 0.00 C ATOM 561 O ASN 1 43 1.160 2.921 1.727 1.00 0.00 O ATOM 562 CB ASN 1 43 3.477 4.632 0.169 1.00 0.00 C ATOM 563 CG ASN 1 43 3.267 4.714 -1.330 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.188 4.406 -1.835 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.302 5.131 -2.051 1.00 0.00 N ATOM 0 H ASN 1 43 4.370 2.636 -1.011 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.693 3.172 1.728 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.764 5.288 0.669 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.474 4.999 0.414 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.220 5.206 -3.065 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.179 5.376 -1.591 1.00 0.00 H new ATOM 572 N TYR 1 44 1.368 2.363 -0.444 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.020 1.945 -0.595 1.00 0.00 C ATOM 574 C TYR 1 44 -0.263 1.399 -1.998 1.00 0.00 C ATOM 575 O TYR 1 44 0.537 1.619 -2.907 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.968 3.114 -0.310 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.007 4.152 -1.409 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.624 3.881 -2.625 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.426 5.400 -1.231 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.660 4.824 -3.631 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.457 6.350 -2.232 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.076 6.058 -3.431 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.109 7.002 -4.432 1.00 0.00 O ATOM 0 H TYR 1 44 1.927 2.274 -1.293 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.219 1.153 0.127 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.974 2.724 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.667 3.595 0.620 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.083 2.916 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.058 5.632 -0.294 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.143 4.598 -4.570 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.000 7.316 -2.078 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.654 7.816 -4.129 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.369 0.688 -2.169 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.692 0.123 -3.464 1.00 0.00 C ATOM 595 C GLY 1 45 -2.368 -1.227 -3.352 1.00 0.00 C ATOM 596 O GLY 1 45 -2.653 -1.696 -2.249 1.00 0.00 O ATOM 0 H GLY 1 45 -2.049 0.492 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.344 0.809 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.779 0.022 -4.051 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.623 -1.857 -4.492 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.270 -3.159 -4.512 1.00 0.00 C ATOM 602 C GLU 1 46 -2.436 -4.193 -3.771 1.00 0.00 C ATOM 603 O GLU 1 46 -2.970 -5.035 -3.050 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.503 -3.605 -5.952 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.753 -3.002 -6.569 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.833 -3.224 -8.066 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.851 -2.905 -8.767 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.880 -3.717 -8.536 1.00 0.00 O ATOM 0 H GLU 1 46 -2.391 -1.486 -5.413 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.231 -3.071 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.638 -3.329 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.579 -4.692 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.633 -3.436 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.775 -1.932 -6.363 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.123 -4.123 -3.951 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.217 -5.056 -3.294 1.00 0.00 C ATOM 617 C CYS 1 47 0.557 -4.368 -2.179 1.00 0.00 C ATOM 618 O CYS 1 47 1.732 -4.651 -1.970 1.00 0.00 O ATOM 619 CB CYS 1 47 0.760 -5.648 -4.308 1.00 0.00 C ATOM 620 SG CYS 1 47 -0.032 -6.689 -5.573 1.00 0.00 S ATOM 0 H CYS 1 47 -0.663 -3.432 -4.544 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.815 -5.857 -2.860 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.293 -4.835 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.504 -6.241 -3.777 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.098 -3.458 -1.470 1.00 0.00 N ATOM 626 CA CYS 1 48 0.559 -2.736 -0.388 1.00 0.00 C ATOM 627 C CYS 1 48 -0.279 -2.754 0.885 1.00 0.00 C ATOM 628 O CYS 1 48 -1.376 -2.197 0.930 1.00 0.00 O ATOM 629 CB CYS 1 48 0.842 -1.297 -0.816 1.00 0.00 C ATOM 630 SG CYS 1 48 1.456 -1.145 -2.526 1.00 0.00 S ATOM 0 H CYS 1 48 -1.074 -3.204 -1.622 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.502 -3.239 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.072 -0.711 -0.715 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.576 -0.863 -0.137 1.00 0.00 H new ATOM 635 N ASP 1 49 0.252 -3.398 1.919 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.434 -3.493 3.201 1.00 0.00 C ATOM 637 C ASP 1 49 0.552 -3.311 4.349 1.00 0.00 C ATOM 638 O ASP 1 49 1.594 -3.965 4.394 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.141 -4.843 3.328 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.245 -4.822 4.367 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -1.995 -4.337 5.490 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.361 -5.291 4.057 1.00 0.00 O ATOM 0 H ASP 1 49 1.159 -3.863 1.893 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.179 -2.699 3.251 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.561 -5.123 2.362 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.412 -5.609 3.592 1.00 0.00 H new ATOM 647 N GLN 1 50 0.220 -2.415 5.274 1.00 0.00 N ATOM 648 CA GLN 1 50 1.081 -2.143 6.420 1.00 0.00 C ATOM 649 C GLN 1 50 2.397 -1.513 5.972 1.00 0.00 C ATOM 650 O GLN 1 50 2.583 -0.302 6.085 1.00 0.00 O ATOM 651 CB GLN 1 50 1.353 -3.431 7.205 1.00 0.00 C ATOM 652 CG GLN 1 50 0.494 -3.576 8.451 1.00 0.00 C ATOM 653 CD GLN 1 50 1.262 -4.155 9.623 1.00 0.00 C ATOM 654 OE1 GLN 1 50 2.446 -3.873 9.805 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.588 -4.970 10.427 1.00 0.00 N ATOM 0 H GLN 1 50 -0.639 -1.865 5.252 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.565 -1.438 7.071 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.181 -4.287 6.553 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.404 -3.456 7.493 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 0.095 -2.600 8.729 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.359 -4.217 8.228 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -0.393 -5.176 10.238 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 1.051 -5.389 11.233 1.00 0.00 H new ATOM 664 N CYS 1 51 3.307 -2.341 5.464 1.00 0.00 N ATOM 665 CA CYS 1 51 4.604 -1.856 5.002 1.00 0.00 C ATOM 666 C CYS 1 51 5.338 -2.924 4.194 1.00 0.00 C ATOM 667 O CYS 1 51 6.567 -2.989 4.205 1.00 0.00 O ATOM 668 CB CYS 1 51 5.460 -1.423 6.194 1.00 0.00 C ATOM 669 SG CYS 1 51 5.370 0.358 6.565 1.00 0.00 S ATOM 0 H CYS 1 51 3.171 -3.347 5.362 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.430 -0.998 4.353 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.147 -1.983 7.075 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.498 -1.691 5.998 1.00 0.00 H new ATOM 674 N ARG 1 52 4.578 -3.760 3.492 1.00 0.00 N ATOM 675 CA ARG 1 52 5.161 -4.823 2.679 1.00 0.00 C ATOM 676 C ARG 1 52 4.231 -5.202 1.531 1.00 0.00 C ATOM 677 O ARG 1 52 3.023 -4.979 1.603 1.00 0.00 O ATOM 678 CB ARG 1 52 5.449 -6.051 3.546 1.00 0.00 C ATOM 679 CG ARG 1 52 6.821 -6.657 3.303 1.00 0.00 C ATOM 680 CD ARG 1 52 7.467 -7.111 4.602 1.00 0.00 C ATOM 681 NE ARG 1 52 8.879 -7.439 4.426 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.580 -8.182 5.279 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.005 -8.675 6.369 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.861 -8.433 5.043 1.00 0.00 N ATOM 0 H ARG 1 52 3.559 -3.722 3.470 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.096 -4.456 2.257 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.365 -5.772 4.596 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.688 -6.807 3.355 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.730 -7.505 2.625 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.462 -5.924 2.813 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.368 -6.324 5.350 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 6.937 -7.983 4.985 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.356 -7.077 3.600 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 8.021 -8.485 6.557 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.548 -9.244 7.019 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.309 -8.056 4.208 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.398 -9.002 5.697 1.00 0.00 H new ATOM 698 N PHE 1 53 4.797 -5.778 0.473 1.00 0.00 N ATOM 699 CA PHE 1 53 4.002 -6.184 -0.679 1.00 0.00 C ATOM 700 C PHE 1 53 3.112 -7.364 -0.329 1.00 0.00 C ATOM 701 O PHE 1 53 3.534 -8.283 0.374 1.00 0.00 O ATOM 702 CB PHE 1 53 4.898 -6.550 -1.866 1.00 0.00 C ATOM 703 CG PHE 1 53 5.504 -5.360 -2.540 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.698 -4.341 -3.010 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.875 -5.257 -2.702 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.241 -3.239 -3.629 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.429 -4.154 -3.323 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.610 -3.142 -3.788 1.00 0.00 C ATOM 0 H PHE 1 53 5.795 -5.972 0.391 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.377 -5.337 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.695 -7.208 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.313 -7.112 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.627 -4.411 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.517 -6.046 -2.340 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.598 -2.450 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.500 -4.083 -3.445 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.039 -2.278 -4.274 1.00 0.00 H new ATOM 718 N LYS 1 54 1.882 -7.347 -0.829 1.00 0.00 N ATOM 719 CA LYS 1 54 0.951 -8.434 -0.565 1.00 0.00 C ATOM 720 C LYS 1 54 1.532 -9.748 -1.070 1.00 0.00 C ATOM 721 O LYS 1 54 1.490 -10.033 -2.267 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.399 -8.161 -1.228 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.425 -7.559 -0.284 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.539 -6.856 -1.043 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.893 -7.105 -0.399 1.00 0.00 C ATOM 726 NZ LYS 1 54 -5.000 -7.050 -1.393 1.00 0.00 N ATOM 0 H LYS 1 54 1.510 -6.599 -1.414 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.794 -8.505 0.511 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.251 -7.485 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.792 -9.094 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.849 -8.344 0.342 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.935 -6.850 0.383 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.341 -5.785 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.555 -7.207 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.890 -8.081 0.087 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.067 -6.362 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.906 -7.225 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -5.020 -6.111 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.848 -7.776 -2.122 1.00 0.00 H new ATOM 740 N LYS 1 55 2.089 -10.532 -0.147 1.00 0.00 N ATOM 741 CA LYS 1 55 2.704 -11.818 -0.476 1.00 0.00 C ATOM 742 C LYS 1 55 2.030 -12.478 -1.674 1.00 0.00 C ATOM 743 O LYS 1 55 0.807 -12.642 -1.700 1.00 0.00 O ATOM 744 CB LYS 1 55 2.646 -12.755 0.732 1.00 0.00 C ATOM 745 CG LYS 1 55 3.379 -14.069 0.518 1.00 0.00 C ATOM 746 CD LYS 1 55 3.219 -14.996 1.712 1.00 0.00 C ATOM 747 CE LYS 1 55 3.478 -16.445 1.331 1.00 0.00 C ATOM 748 NZ LYS 1 55 4.933 -16.761 1.308 1.00 0.00 N ATOM 0 H LYS 1 55 2.127 -10.295 0.844 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.744 -11.626 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.073 -12.247 1.596 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.603 -12.965 0.969 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.997 -14.558 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.438 -13.873 0.347 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.909 -14.697 2.501 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 2.211 -14.900 2.116 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 2.975 -17.102 2.040 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 3.047 -16.645 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 5.068 -17.758 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.410 -16.151 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 5.339 -16.595 2.251 1.00 0.00 H new ATOM 762 N ALA 1 56 2.836 -12.849 -2.668 1.00 0.00 N ATOM 763 CA ALA 1 56 2.321 -13.489 -3.873 1.00 0.00 C ATOM 764 C ALA 1 56 1.236 -14.496 -3.527 1.00 0.00 C ATOM 765 O ALA 1 56 1.432 -15.371 -2.683 1.00 0.00 O ATOM 766 CB ALA 1 56 3.439 -14.170 -4.640 1.00 0.00 C ATOM 0 H ALA 1 56 3.847 -12.717 -2.661 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.887 -12.714 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.032 -14.641 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.186 -13.430 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.903 -14.929 -4.010 1.00 0.00 H new ATOM 772 N GLY 1 57 0.086 -14.354 -4.164 1.00 0.00 N ATOM 773 CA GLY 1 57 -1.022 -15.246 -3.888 1.00 0.00 C ATOM 774 C GLY 1 57 -2.205 -14.508 -3.298 1.00 0.00 C ATOM 775 O GLY 1 57 -3.298 -15.062 -3.186 1.00 0.00 O ATOM 0 H GLY 1 57 -0.102 -13.639 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.326 -15.743 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.698 -16.025 -3.197 1.00 0.00 H new ATOM 779 N THR 1 58 -1.990 -13.246 -2.935 1.00 0.00 N ATOM 780 CA THR 1 58 -3.049 -12.419 -2.375 1.00 0.00 C ATOM 781 C THR 1 58 -3.934 -11.878 -3.497 1.00 0.00 C ATOM 782 O THR 1 58 -3.530 -10.980 -4.236 1.00 0.00 O ATOM 783 CB THR 1 58 -2.442 -11.262 -1.576 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.764 -11.747 -0.430 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.462 -10.249 -1.109 1.00 0.00 C ATOM 0 H THR 1 58 -1.089 -12.775 -3.020 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.659 -13.026 -1.706 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.757 -10.768 -2.265 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.888 -12.100 -0.693 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.961 -9.459 -0.550 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.968 -9.818 -1.973 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.194 -10.739 -0.467 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.136 -12.433 -3.631 1.00 0.00 N ATOM 794 CA VAL 1 59 -6.055 -12.000 -4.677 1.00 0.00 C ATOM 795 C VAL 1 59 -6.499 -10.558 -4.469 1.00 0.00 C ATOM 796 O VAL 1 59 -6.992 -10.194 -3.402 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.304 -12.903 -4.764 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.172 -12.751 -3.523 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.101 -12.590 -6.024 1.00 0.00 C ATOM 0 H VAL 1 59 -5.493 -13.178 -3.033 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.503 -12.076 -5.614 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.973 -13.940 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -9.046 -13.397 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.597 -13.032 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.495 -11.714 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.978 -13.236 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.418 -11.547 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.477 -12.763 -6.901 1.00 0.00 H new ATOM 809 N CYS 1 60 -6.317 -9.746 -5.500 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.696 -8.337 -5.444 1.00 0.00 C ATOM 811 C CYS 1 60 -7.745 -8.001 -6.507 1.00 0.00 C ATOM 812 O CYS 1 60 -8.421 -6.976 -6.419 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.451 -7.461 -5.629 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.708 -5.976 -6.655 1.00 0.00 S ATOM 0 H CYS 1 60 -5.909 -10.037 -6.388 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.138 -8.138 -4.468 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.093 -7.150 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.663 -8.065 -6.079 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.858 -8.852 -7.520 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.804 -8.618 -8.607 1.00 0.00 C ATOM 821 C ARG 1 61 -9.250 -9.926 -9.257 1.00 0.00 C ATOM 822 O ARG 1 61 -8.852 -11.013 -8.838 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.167 -7.708 -9.663 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.705 -6.286 -9.657 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.494 -5.607 -11.003 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.153 -5.848 -11.537 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.172 -4.947 -11.542 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.365 -3.731 -11.046 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.989 -5.267 -12.049 1.00 0.00 N ATOM 0 H ARG 1 61 -7.309 -9.707 -7.612 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.685 -8.135 -8.184 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.090 -7.679 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.329 -8.143 -10.649 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.768 -6.299 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.208 -5.711 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.237 -5.971 -11.713 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.654 -4.534 -10.896 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.956 -6.768 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.272 -3.478 -10.655 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.606 -3.050 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.834 -6.199 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.234 -4.581 -12.055 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.073 -9.799 -10.291 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.584 -10.940 -11.030 1.00 0.00 C ATOM 845 C ILE 1 62 -11.361 -10.466 -12.239 1.00 0.00 C ATOM 846 O ILE 1 62 -12.094 -9.478 -12.176 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.513 -11.857 -10.199 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.912 -11.219 -8.866 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -10.847 -13.200 -9.970 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -12.274 -9.752 -8.963 1.00 0.00 C ATOM 0 H ILE 1 62 -10.404 -8.899 -10.639 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.708 -11.522 -11.314 1.00 0.00 H new ATOM 0 HB ILE 1 62 -12.430 -12.003 -10.770 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.761 -11.765 -8.455 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.089 -11.333 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -11.508 -13.839 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -10.642 -13.673 -10.930 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -9.911 -13.055 -9.430 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -12.544 -9.378 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -11.420 -9.191 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -13.119 -9.630 -9.641 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.205 -11.177 -13.333 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.905 -10.829 -14.553 1.00 0.00 C ATOM 864 C ALA 1 63 -13.418 -10.940 -14.354 1.00 0.00 C ATOM 865 O ALA 1 63 -14.067 -9.975 -13.951 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.424 -11.690 -15.715 1.00 0.00 C ATOM 0 H ALA 1 63 -10.603 -11.997 -13.405 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.680 -9.792 -14.801 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.963 -11.412 -16.621 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.356 -11.534 -15.866 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.609 -12.740 -15.491 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.975 -12.119 -14.619 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.407 -12.344 -14.445 1.00 0.00 C ATOM 874 C ARG 1 64 -15.679 -13.752 -13.923 1.00 0.00 C ATOM 875 O ARG 1 64 -15.941 -14.667 -14.701 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.142 -12.127 -15.768 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.567 -11.627 -15.598 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.598 -10.167 -15.173 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.805 -9.271 -16.309 1.00 0.00 N ATOM 880 CZ ARG 1 64 -18.214 -8.010 -16.193 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.461 -7.493 -14.996 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -18.376 -7.264 -17.277 1.00 0.00 N ATOM 0 H ARG 1 64 -13.458 -12.932 -14.954 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.775 -11.628 -13.711 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.584 -11.410 -16.371 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.159 -13.065 -16.323 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.110 -11.746 -16.536 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.081 -12.235 -14.853 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.395 -10.018 -14.444 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.661 -9.914 -14.677 1.00 0.00 H new ATOM 0 HE ARG 1 64 -17.625 -9.633 -17.245 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.338 -8.063 -14.159 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.774 -6.526 -14.913 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -18.187 -7.657 -18.199 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -18.689 -6.297 -17.189 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.629 -13.926 -12.610 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.877 -15.234 -12.038 1.00 0.00 C ATOM 898 C GLY 1 65 -14.701 -15.741 -11.237 1.00 0.00 C ATOM 899 O GLY 1 65 -14.474 -15.305 -10.108 1.00 0.00 O ATOM 0 H GLY 1 65 -15.423 -13.190 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.757 -15.187 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.102 -15.941 -12.837 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.945 -16.659 -11.827 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.776 -17.220 -11.163 1.00 0.00 C ATOM 905 C ASP 1 66 -12.100 -18.290 -12.014 1.00 0.00 C ATOM 906 O ASP 1 66 -12.451 -19.469 -11.952 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.156 -17.801 -9.797 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.176 -17.409 -8.709 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.337 -16.314 -8.131 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.246 -18.197 -8.435 1.00 0.00 O ATOM 0 H ASP 1 66 -14.120 -17.030 -12.761 1.00 0.00 H new ATOM 0 HA ASP 1 66 -12.065 -16.406 -11.020 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -14.154 -17.458 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.201 -18.888 -9.867 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.117 -17.863 -12.794 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.357 -18.763 -13.657 1.00 0.00 C ATOM 917 C TRP 1 67 -8.884 -18.710 -13.282 1.00 0.00 C ATOM 918 O TRP 1 67 -8.324 -19.662 -12.738 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.525 -18.370 -15.129 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.289 -17.096 -15.329 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.903 -15.833 -14.972 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.577 -16.965 -15.928 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.875 -14.933 -15.315 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.911 -15.601 -15.906 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.478 -17.871 -16.484 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.107 -15.121 -16.418 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.671 -17.395 -16.995 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.976 -16.029 -16.959 1.00 0.00 C ATOM 0 H TRP 1 67 -10.823 -16.888 -12.848 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.735 -19.776 -13.520 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.539 -18.267 -15.583 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.036 -19.176 -15.655 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.969 -15.583 -14.491 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.833 -13.926 -15.155 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.248 -18.926 -16.515 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.344 -14.068 -16.391 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.378 -18.087 -17.428 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.915 -15.685 -17.366 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.280 -17.568 -13.568 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.879 -17.326 -13.261 1.00 0.00 C ATOM 941 C ASN 1 68 -6.782 -16.496 -11.988 1.00 0.00 C ATOM 942 O ASN 1 68 -5.870 -16.670 -11.179 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.192 -16.597 -14.422 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.804 -16.938 -15.770 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.948 -16.331 -16.074 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.255 -17.737 -16.529 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.747 -16.782 -14.020 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.374 -18.281 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.257 -15.521 -14.260 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.133 -16.855 -14.432 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.378 -18.180 -16.256 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.677 -17.956 -17.431 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.756 -15.605 -11.814 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.826 -14.749 -10.638 1.00 0.00 C ATOM 955 C ASP 1 69 -6.618 -13.835 -10.525 1.00 0.00 C ATOM 956 O ASP 1 69 -5.475 -14.280 -10.620 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.927 -15.600 -9.378 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.361 -15.914 -9.001 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -10.233 -15.872 -9.894 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.613 -16.202 -7.812 1.00 0.00 O ATOM 0 H ASP 1 69 -8.513 -15.459 -12.481 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.714 -14.126 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.382 -16.532 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.444 -15.078 -8.552 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.879 -12.556 -10.289 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.812 -11.583 -10.131 1.00 0.00 C ATOM 967 C ASP 1 70 -5.097 -11.814 -8.813 1.00 0.00 C ATOM 968 O ASP 1 70 -5.735 -11.927 -7.766 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.375 -10.165 -10.179 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.295 -9.114 -10.325 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.404 -9.056 -9.452 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.339 -8.350 -11.312 1.00 0.00 O ATOM 0 H ASP 1 70 -7.820 -12.171 -10.203 1.00 0.00 H new ATOM 0 HA ASP 1 70 -5.102 -11.703 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -7.072 -10.083 -11.013 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.943 -9.973 -9.269 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.774 -11.911 -8.863 1.00 0.00 N ATOM 978 CA TYR 1 71 -3.007 -12.166 -7.656 1.00 0.00 C ATOM 979 C TYR 1 71 -1.756 -11.320 -7.552 1.00 0.00 C ATOM 980 O TYR 1 71 -1.044 -11.106 -8.532 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.624 -13.634 -7.599 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.733 -14.496 -7.081 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -4.047 -14.493 -5.737 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.469 -15.299 -7.932 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.068 -15.271 -5.243 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.495 -16.082 -7.455 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.794 -16.067 -6.106 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.818 -16.849 -5.621 1.00 0.00 O ATOM 0 H TYR 1 71 -3.219 -11.818 -9.714 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.646 -11.896 -6.815 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.341 -13.971 -8.596 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.748 -13.753 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.481 -13.869 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.235 -15.312 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.300 -15.259 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.063 -16.704 -8.131 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.227 -17.347 -6.359 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.484 -10.876 -6.334 1.00 0.00 N ATOM 999 CA CYS 1 72 -0.306 -10.081 -6.050 1.00 0.00 C ATOM 1000 C CYS 1 72 0.946 -10.934 -6.228 1.00 0.00 C ATOM 1001 O CYS 1 72 0.854 -12.153 -6.379 1.00 0.00 O ATOM 1002 CB CYS 1 72 -0.384 -9.539 -4.625 1.00 0.00 C ATOM 1003 SG CYS 1 72 -1.220 -7.928 -4.494 1.00 0.00 S ATOM 0 H CYS 1 72 -2.072 -11.057 -5.521 1.00 0.00 H new ATOM 0 HA CYS 1 72 -0.258 -9.241 -6.743 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.909 -10.262 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.626 -9.447 -4.226 1.00 0.00 H new ATOM 1008 N THR 1 73 2.110 -10.298 -6.220 1.00 0.00 N ATOM 1009 CA THR 1 73 3.366 -11.020 -6.393 1.00 0.00 C ATOM 1010 C THR 1 73 4.337 -10.754 -5.244 1.00 0.00 C ATOM 1011 O THR 1 73 5.479 -11.214 -5.271 1.00 0.00 O ATOM 1012 CB THR 1 73 4.010 -10.634 -7.725 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.636 -9.367 -7.632 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.020 -10.575 -8.870 1.00 0.00 C ATOM 0 H THR 1 73 2.212 -9.291 -6.097 1.00 0.00 H new ATOM 0 HA THR 1 73 3.139 -12.086 -6.392 1.00 0.00 H new ATOM 0 HB THR 1 73 4.738 -11.418 -7.933 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.043 -9.139 -8.494 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.540 -10.296 -9.786 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.555 -11.552 -9.000 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.252 -9.834 -8.649 1.00 0.00 H new ATOM 1022 N GLY 1 74 3.885 -10.012 -4.236 1.00 0.00 N ATOM 1023 CA GLY 1 74 4.738 -9.709 -3.100 1.00 0.00 C ATOM 1024 C GLY 1 74 6.052 -9.065 -3.507 1.00 0.00 C ATOM 1025 O GLY 1 74 7.022 -9.087 -2.750 1.00 0.00 O ATOM 0 H GLY 1 74 2.946 -9.616 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.207 -9.043 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 4.944 -10.628 -2.550 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.084 -8.493 -4.707 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.287 -7.842 -5.214 1.00 0.00 C ATOM 1031 C LYS 1 75 6.978 -6.435 -5.715 1.00 0.00 C ATOM 1032 O LYS 1 75 7.816 -5.538 -5.629 1.00 0.00 O ATOM 1033 CB LYS 1 75 7.905 -8.672 -6.340 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.230 -10.101 -5.934 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.661 -11.107 -6.921 1.00 0.00 C ATOM 1036 CE LYS 1 75 8.715 -11.570 -7.914 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.007 -10.531 -8.940 1.00 0.00 N ATOM 0 H LYS 1 75 5.290 -8.467 -5.347 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.000 -7.766 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.218 -8.691 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.818 -8.184 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.311 -10.225 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.828 -10.298 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.267 -11.967 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 6.825 -10.659 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.632 -11.820 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.374 -12.481 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.730 -10.886 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.138 -10.310 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.357 -9.670 -8.473 1.00 0.00 H new ATOM 1051 N SER 1 76 5.771 -6.248 -6.239 1.00 0.00 N ATOM 1052 CA SER 1 76 5.352 -4.950 -6.752 1.00 0.00 C ATOM 1053 C SER 1 76 4.062 -4.494 -6.078 1.00 0.00 C ATOM 1054 O SER 1 76 3.406 -5.268 -5.382 1.00 0.00 O ATOM 1055 CB SER 1 76 5.154 -5.016 -8.268 1.00 0.00 C ATOM 1056 OG SER 1 76 6.395 -5.143 -8.940 1.00 0.00 O ATOM 0 H SER 1 76 5.066 -6.980 -6.319 1.00 0.00 H new ATOM 0 HA SER 1 76 6.136 -4.226 -6.528 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.514 -5.862 -8.518 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.642 -4.117 -8.610 1.00 0.00 H new ATOM 0 HG SER 1 76 6.241 -5.185 -9.907 1.00 0.00 H new ATOM 1062 N SER 1 77 3.706 -3.232 -6.291 1.00 0.00 N ATOM 1063 CA SER 1 77 2.495 -2.668 -5.705 1.00 0.00 C ATOM 1064 C SER 1 77 1.287 -2.882 -6.615 1.00 0.00 C ATOM 1065 O SER 1 77 0.211 -2.336 -6.366 1.00 0.00 O ATOM 1066 CB SER 1 77 2.686 -1.173 -5.450 1.00 0.00 C ATOM 1067 OG SER 1 77 3.114 -0.506 -6.625 1.00 0.00 O ATOM 0 H SER 1 77 4.239 -2.579 -6.866 1.00 0.00 H new ATOM 0 HA SER 1 77 2.308 -3.181 -4.761 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.749 -0.738 -5.102 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.420 -1.027 -4.657 1.00 0.00 H new ATOM 0 HG SER 1 77 3.227 0.449 -6.436 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.467 -3.674 -7.669 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.387 -3.943 -8.613 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.052 -5.401 -8.551 1.00 0.00 C ATOM 1076 O ASP 1 78 0.757 -6.296 -8.309 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.826 -3.592 -10.036 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.180 -4.177 -10.384 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.244 -5.387 -10.688 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.178 -3.426 -10.353 1.00 0.00 O ATOM 0 H ASP 1 78 2.347 -4.139 -7.890 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.462 -3.319 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.082 -3.959 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.863 -2.508 -10.145 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.343 -5.628 -8.768 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.905 -6.971 -8.731 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.359 -7.423 -10.131 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.394 -6.987 -10.632 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.066 -7.011 -7.725 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.656 -6.364 -8.344 1.00 0.00 S ATOM 0 H CYS 1 79 -2.022 -4.895 -8.972 1.00 0.00 H new ATOM 0 HA CYS 1 79 -1.134 -7.670 -8.406 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.212 -8.043 -7.405 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -2.779 -6.440 -6.842 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.575 -8.296 -10.793 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.900 -8.790 -12.142 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.107 -9.732 -12.162 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.244 -10.600 -11.301 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.634 -9.545 -12.554 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.008 -9.959 -11.269 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.304 -8.854 -10.295 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.174 -7.974 -12.811 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.872 -10.408 -13.175 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.035 -8.910 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.419 -10.907 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.067 -10.101 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.401 -9.230 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.488 -8.105 -10.284 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.973 -9.552 -13.161 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.177 -10.383 -13.320 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.830 -11.865 -13.388 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.689 -12.723 -13.189 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.937 -10.035 -14.608 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.644 -8.684 -15.172 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.621 -8.336 -16.006 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.404 -7.503 -14.952 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.700 -6.999 -16.310 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.791 -6.467 -15.673 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.546 -7.229 -14.209 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.287 -5.171 -15.672 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.044 -5.939 -14.206 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.414 -4.923 -14.936 1.00 0.00 C ATOM 0 H TRP 1 81 -3.865 -8.835 -13.878 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.797 -10.179 -12.447 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.703 -10.785 -15.363 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -7.007 -10.105 -14.410 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.862 -9.012 -16.372 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.054 -6.487 -16.910 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.035 -8.009 -13.645 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.801 -4.386 -16.232 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.931 -5.712 -13.633 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -7.826 -3.925 -14.918 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.583 -12.147 -13.732 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.106 -13.518 -13.902 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.642 -14.076 -15.216 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.854 -15.280 -15.357 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.533 -14.414 -12.737 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.759 -14.123 -11.467 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.755 -12.997 -10.972 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.095 -15.142 -10.932 1.00 0.00 N ATOM 0 H ASN 1 82 -2.871 -11.436 -13.902 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.016 -13.503 -13.920 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.598 -14.277 -12.549 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.390 -15.458 -13.015 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.555 -15.006 -10.078 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.126 -16.060 -11.376 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.869 -13.174 -16.170 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.395 -13.541 -17.478 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.290 -13.554 -18.529 1.00 0.00 C ATOM 1150 O HIS 1 83 -2.643 -12.503 -18.719 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.497 -12.558 -17.882 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.625 -12.506 -16.902 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.069 -13.429 -16.017 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.436 -11.403 -16.741 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.127 -12.871 -15.343 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.327 -11.648 -15.797 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -3.080 -14.616 -19.153 1.00 0.00 O ATOM 0 H HIS 1 83 -3.694 -12.176 -16.056 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.811 -14.547 -17.415 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.067 -11.562 -17.985 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -5.886 -12.840 -18.860 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.688 -14.365 -15.877 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.355 -10.482 -17.300 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.702 -13.354 -14.567 1.00 0.00 H new