USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 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= -0.677 F(o=-6,f=-4.5) USER MOD Set 1.2: 1 83 HIS :FLIP+bothHN:sc= -3.83! F(o=-7.6,f=-4.5!) USER MOD Set 2.1: 1 25 GLN : amide:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 2.2: 1 30 ASN : amide:sc= -2.08 K(o=-2.1,f=-6.3!) 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= -0.221 K(o=-0.22,f=-1.4) USER MOD Single : 1 20 SER OG : rot 92:sc= 0.774 USER MOD Single : 1 23 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.69) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 150:sc= -3.19 USER MOD Single : 1 40 SER OG : rot 36:sc= -0.726 USER MOD Single : 1 41 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.03) USER MOD Single : 1 43 ASN :FLIP amide:sc= -0.376 F(o=-1.9,f=-0.38) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) 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 93:sc= 0.732 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+ -153:sc= -0.189 (180deg=-1.32!) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0152 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -3.256 15.147 11.432 1.00 0.00 N ATOM 43 CA VAL 1 4 -2.438 16.327 11.649 1.00 0.00 C ATOM 44 C VAL 1 4 -0.958 16.058 11.379 1.00 0.00 C ATOM 45 O VAL 1 4 -0.188 15.742 12.284 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.596 16.855 13.081 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.380 15.730 14.077 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -1.633 18.005 13.329 1.00 0.00 C ATOM 0 HA VAL 1 4 -2.790 17.078 10.942 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.609 17.234 13.212 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -2.494 16.114 15.091 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -3.114 14.944 13.902 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.376 15.323 13.954 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -1.756 18.369 14.349 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -0.609 17.659 13.189 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -1.842 18.813 12.627 1.00 0.00 H new ATOM 58 N CYS 1 5 -0.579 16.232 10.132 1.00 0.00 N ATOM 59 CA CYS 1 5 0.797 16.064 9.684 1.00 0.00 C ATOM 60 C CYS 1 5 0.793 16.217 8.180 1.00 0.00 C ATOM 61 O CYS 1 5 0.444 15.282 7.459 1.00 0.00 O ATOM 62 CB CYS 1 5 1.348 14.698 10.099 1.00 0.00 C ATOM 63 SG CYS 1 5 2.631 14.773 11.398 1.00 0.00 S ATOM 0 H CYS 1 5 -1.222 16.498 9.386 1.00 0.00 H new ATOM 0 HA CYS 1 5 1.445 16.810 10.143 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 0.524 14.078 10.453 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 1.764 14.204 9.221 1.00 0.00 H new ATOM 68 N GLY 1 6 1.105 17.421 7.702 1.00 0.00 N ATOM 69 CA GLY 1 6 1.035 17.662 6.276 1.00 0.00 C ATOM 70 C GLY 1 6 -0.321 17.215 5.756 1.00 0.00 C ATOM 71 O GLY 1 6 -0.462 16.818 4.599 1.00 0.00 O ATOM 0 H GLY 1 6 1.399 18.218 8.267 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.186 18.721 6.067 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 1.830 17.119 5.765 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.313 17.243 6.658 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.665 16.803 6.350 1.00 0.00 C ATOM 77 C ASN 1 7 -2.636 15.350 5.914 1.00 0.00 C ATOM 78 O ASN 1 7 -2.197 15.046 4.805 1.00 0.00 O ATOM 79 CB ASN 1 7 -3.291 17.666 5.255 1.00 0.00 C ATOM 80 CG ASN 1 7 -4.247 18.702 5.811 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -5.396 18.395 6.132 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.778 19.939 5.929 1.00 0.00 N ATOM 0 H ASN 1 7 -1.193 17.572 7.616 1.00 0.00 H new ATOM 0 HA ASN 1 7 -3.275 16.906 7.247 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.501 18.168 4.696 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.823 17.026 4.551 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.376 20.678 6.298 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -2.819 20.150 5.651 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.087 14.451 6.795 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.094 13.022 6.488 1.00 0.00 C ATOM 91 C LYS 1 8 -3.331 12.811 5.000 1.00 0.00 C ATOM 92 O LYS 1 8 -4.458 12.943 4.520 1.00 0.00 O ATOM 93 CB LYS 1 8 -4.159 12.291 7.306 1.00 0.00 C ATOM 94 CG LYS 1 8 -4.094 10.776 7.182 1.00 0.00 C ATOM 95 CD LYS 1 8 -4.675 10.292 5.862 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.570 9.079 6.059 1.00 0.00 C ATOM 97 NZ LYS 1 8 -5.599 8.207 4.852 1.00 0.00 N ATOM 0 H LYS 1 8 -3.449 14.688 7.719 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.122 12.608 6.755 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -4.050 12.566 8.355 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.145 12.631 6.988 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -3.058 10.449 7.265 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -4.639 10.320 8.008 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.247 11.096 5.398 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -3.865 10.041 5.177 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -5.217 8.503 6.914 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -6.582 9.409 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -6.220 7.392 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -5.960 8.749 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -4.637 7.871 4.643 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.253 12.537 4.266 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.342 12.366 2.816 1.00 0.00 C ATOM 113 C ILE 1 9 -3.613 11.646 2.402 1.00 0.00 C ATOM 114 O ILE 1 9 -4.192 10.877 3.170 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.122 11.645 2.208 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -0.642 10.482 3.082 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.001 12.644 1.986 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.517 9.251 2.991 1.00 0.00 C ATOM 0 H ILE 1 9 -1.314 12.429 4.648 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.360 13.380 2.417 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.427 11.218 1.253 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 0.375 10.217 2.792 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -0.601 10.812 4.120 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.863 12.133 1.556 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.336 13.424 1.304 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.283 13.092 2.939 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.115 8.470 3.636 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -2.529 9.500 3.310 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.538 8.895 1.961 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.052 11.923 1.186 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.265 11.326 0.660 1.00 0.00 C ATOM 132 C LEU 1 10 -4.977 10.483 -0.576 1.00 0.00 C ATOM 133 O LEU 1 10 -5.890 10.077 -1.295 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.280 12.427 0.342 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.742 13.606 -0.480 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.963 14.567 0.406 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.878 13.127 -1.638 1.00 0.00 C ATOM 0 H LEU 1 10 -3.583 12.561 0.543 1.00 0.00 H new ATOM 0 HA LEU 1 10 -5.682 10.661 1.416 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.115 11.982 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.677 12.813 1.281 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.598 14.136 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.590 15.396 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.617 14.952 1.188 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.123 14.042 0.861 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.513 13.987 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.031 12.561 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.470 12.490 -2.295 1.00 0.00 H new ATOM 149 N GLU 1 11 -3.699 10.226 -0.813 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.276 9.432 -1.961 1.00 0.00 C ATOM 151 C GLU 1 11 -1.762 9.210 -1.971 1.00 0.00 C ATOM 152 O GLU 1 11 -1.130 9.270 -3.027 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.706 10.118 -3.259 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.995 11.437 -3.514 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.826 12.397 -4.342 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -5.061 12.220 -4.395 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.242 13.327 -4.938 1.00 0.00 O ATOM 0 H GLU 1 11 -2.934 10.556 -0.225 1.00 0.00 H new ATOM 0 HA GLU 1 11 -3.757 8.457 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.517 9.445 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.781 10.294 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.750 11.904 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.052 11.244 -4.026 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.179 8.944 -0.803 1.00 0.00 N ATOM 165 CA GLN 1 12 0.261 8.707 -0.718 1.00 0.00 C ATOM 166 C GLN 1 12 0.697 8.323 0.695 1.00 0.00 C ATOM 167 O GLN 1 12 1.511 9.011 1.309 1.00 0.00 O ATOM 168 CB GLN 1 12 1.043 9.940 -1.184 1.00 0.00 C ATOM 169 CG GLN 1 12 0.503 11.256 -0.655 1.00 0.00 C ATOM 170 CD GLN 1 12 0.422 12.326 -1.726 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.123 12.099 -2.807 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.965 13.502 -1.431 1.00 0.00 N ATOM 0 H GLN 1 12 -1.674 8.888 0.087 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.483 7.868 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 2.083 9.836 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.037 9.970 -2.274 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.489 11.094 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 1.141 11.607 0.156 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 1.406 13.646 -0.523 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.940 14.260 -2.113 1.00 0.00 H new ATOM 181 N GLY 1 13 0.168 7.214 1.203 1.00 0.00 N ATOM 182 CA GLY 1 13 0.538 6.762 2.535 1.00 0.00 C ATOM 183 C GLY 1 13 2.036 6.563 2.681 1.00 0.00 C ATOM 184 O GLY 1 13 2.578 6.648 3.783 1.00 0.00 O ATOM 0 H GLY 1 13 -0.507 6.622 0.720 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 0.197 7.490 3.271 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 0.026 5.825 2.753 1.00 0.00 H new ATOM 188 N GLU 1 14 2.702 6.304 1.561 1.00 0.00 N ATOM 189 CA GLU 1 14 4.148 6.097 1.546 1.00 0.00 C ATOM 190 C GLU 1 14 4.815 7.078 0.596 1.00 0.00 C ATOM 191 O GLU 1 14 5.977 7.439 0.777 1.00 0.00 O ATOM 192 CB GLU 1 14 4.482 4.667 1.119 1.00 0.00 C ATOM 193 CG GLU 1 14 4.061 4.341 -0.306 1.00 0.00 C ATOM 194 CD GLU 1 14 5.149 3.629 -1.087 1.00 0.00 C ATOM 195 OE1 GLU 1 14 6.186 4.263 -1.374 1.00 0.00 O ATOM 196 OE2 GLU 1 14 4.964 2.437 -1.412 1.00 0.00 O ATOM 0 H GLU 1 14 2.260 6.232 0.644 1.00 0.00 H new ATOM 0 HA GLU 1 14 4.524 6.264 2.556 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 5.556 4.510 1.216 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.995 3.970 1.801 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 3.168 3.717 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.793 5.263 -0.822 1.00 0.00 H new ATOM 203 N ASP 1 15 4.069 7.518 -0.410 1.00 0.00 N ATOM 204 CA ASP 1 15 4.593 8.466 -1.376 1.00 0.00 C ATOM 205 C ASP 1 15 5.073 9.719 -0.660 1.00 0.00 C ATOM 206 O ASP 1 15 5.944 10.435 -1.152 1.00 0.00 O ATOM 207 CB ASP 1 15 3.517 8.816 -2.406 1.00 0.00 C ATOM 208 CG ASP 1 15 3.925 8.448 -3.819 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.143 8.375 -4.086 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.026 8.233 -4.659 1.00 0.00 O ATOM 0 H ASP 1 15 3.104 7.233 -0.575 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.437 8.016 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.593 8.298 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.307 9.884 -2.358 1.00 0.00 H new ATOM 215 N CYS 1 16 4.492 9.966 0.516 1.00 0.00 N ATOM 216 CA CYS 1 16 4.840 11.121 1.331 1.00 0.00 C ATOM 217 C CYS 1 16 3.762 11.375 2.380 1.00 0.00 C ATOM 218 O CYS 1 16 2.623 10.940 2.233 1.00 0.00 O ATOM 219 CB CYS 1 16 5.027 12.358 0.444 1.00 0.00 C ATOM 220 SG CYS 1 16 4.894 13.962 1.314 1.00 0.00 S ATOM 0 H CYS 1 16 3.771 9.371 0.924 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.779 10.916 1.845 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.006 12.300 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.283 12.331 -0.352 1.00 0.00 H new ATOM 225 N ASP 1 17 4.134 12.091 3.429 1.00 0.00 N ATOM 226 CA ASP 1 17 3.213 12.427 4.504 1.00 0.00 C ATOM 227 C ASP 1 17 2.607 11.180 5.137 1.00 0.00 C ATOM 228 O ASP 1 17 1.534 10.730 4.735 1.00 0.00 O ATOM 229 CB ASP 1 17 2.102 13.341 3.979 1.00 0.00 C ATOM 230 CG ASP 1 17 2.134 14.716 4.617 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.412 14.800 5.832 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.882 15.708 3.902 1.00 0.00 O ATOM 0 H ASP 1 17 5.078 12.454 3.560 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.780 12.950 5.274 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.200 13.443 2.898 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.134 12.878 4.169 1.00 0.00 H new ATOM 237 N CYS 1 18 3.298 10.635 6.139 1.00 0.00 N ATOM 238 CA CYS 1 18 2.832 9.448 6.854 1.00 0.00 C ATOM 239 C CYS 1 18 1.326 9.493 7.047 1.00 0.00 C ATOM 240 O CYS 1 18 0.648 8.468 6.973 1.00 0.00 O ATOM 241 CB CYS 1 18 3.521 9.356 8.224 1.00 0.00 C ATOM 242 SG CYS 1 18 3.457 7.712 9.022 1.00 0.00 S ATOM 0 H CYS 1 18 4.189 11.001 6.475 1.00 0.00 H new ATOM 0 HA CYS 1 18 3.084 8.570 6.259 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.566 9.644 8.107 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.062 10.084 8.893 1.00 0.00 H new ATOM 247 N GLY 1 19 0.809 10.689 7.309 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.609 10.838 7.524 1.00 0.00 C ATOM 249 C GLY 1 19 -1.010 10.441 8.925 1.00 0.00 C ATOM 250 O GLY 1 19 -2.089 10.801 9.394 1.00 0.00 O ATOM 0 H GLY 1 19 1.349 11.552 7.375 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.897 11.874 7.344 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.152 10.226 6.804 1.00 0.00 H new ATOM 254 N SER 1 20 -0.134 9.703 9.604 1.00 0.00 N ATOM 255 CA SER 1 20 -0.404 9.275 10.958 1.00 0.00 C ATOM 256 C SER 1 20 0.268 10.199 11.953 1.00 0.00 C ATOM 257 O SER 1 20 1.423 9.993 12.327 1.00 0.00 O ATOM 258 CB SER 1 20 0.067 7.845 11.189 1.00 0.00 C ATOM 259 OG SER 1 20 0.078 7.105 9.980 1.00 0.00 O ATOM 0 H SER 1 20 0.764 9.394 9.232 1.00 0.00 H new ATOM 0 HA SER 1 20 -1.483 9.313 11.105 1.00 0.00 H new ATOM 0 HB2 SER 1 20 1.068 7.855 11.621 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -0.587 7.356 11.911 1.00 0.00 H new ATOM 0 HG SER 1 20 0.964 7.167 9.567 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.446 11.237 12.398 1.00 0.00 N ATOM 266 CA PRO 1 21 0.089 12.198 13.356 1.00 0.00 C ATOM 267 C PRO 1 21 0.632 11.528 14.614 1.00 0.00 C ATOM 268 O PRO 1 21 1.474 12.091 15.314 1.00 0.00 O ATOM 269 CB PRO 1 21 -1.116 13.082 13.695 1.00 0.00 C ATOM 270 CG PRO 1 21 -2.306 12.328 13.206 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.826 11.565 12.011 1.00 0.00 C ATOM 0 HA PRO 1 21 0.933 12.750 12.944 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -1.180 13.266 14.768 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -1.040 14.055 13.209 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.689 11.656 13.974 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -3.118 13.004 12.941 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.423 10.671 11.830 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.864 12.164 11.101 1.00 0.00 H new ATOM 279 N ALA 1 22 0.143 10.326 14.896 1.00 0.00 N ATOM 280 CA ALA 1 22 0.577 9.581 16.070 1.00 0.00 C ATOM 281 C ALA 1 22 2.072 9.276 16.020 1.00 0.00 C ATOM 282 O ALA 1 22 2.677 8.947 17.041 1.00 0.00 O ATOM 283 CB ALA 1 22 -0.220 8.292 16.198 1.00 0.00 C ATOM 0 H ALA 1 22 -0.555 9.847 14.327 1.00 0.00 H new ATOM 0 HA ALA 1 22 0.394 10.203 16.946 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 0.114 7.744 17.079 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -1.280 8.528 16.297 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -0.066 7.679 15.310 1.00 0.00 H new ATOM 289 N ASN 1 23 2.667 9.378 14.833 1.00 0.00 N ATOM 290 CA ASN 1 23 4.091 9.102 14.675 1.00 0.00 C ATOM 291 C ASN 1 23 4.801 10.227 13.927 1.00 0.00 C ATOM 292 O ASN 1 23 5.504 11.038 14.530 1.00 0.00 O ATOM 293 CB ASN 1 23 4.292 7.778 13.936 1.00 0.00 C ATOM 294 CG ASN 1 23 4.261 6.584 14.870 1.00 0.00 C ATOM 295 OD1 ASN 1 23 5.147 6.411 15.706 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.236 5.750 14.730 1.00 0.00 N ATOM 0 H ASN 1 23 2.189 9.648 13.974 1.00 0.00 H new ATOM 0 HA ASN 1 23 4.528 9.032 15.671 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.514 7.665 13.181 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.247 7.800 13.410 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.162 4.928 15.329 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 2.523 5.932 14.023 1.00 0.00 H new ATOM 303 N CYS 1 24 4.626 10.261 12.609 1.00 0.00 N ATOM 304 CA CYS 1 24 5.265 11.276 11.776 1.00 0.00 C ATOM 305 C CYS 1 24 6.781 11.231 11.942 1.00 0.00 C ATOM 306 O CYS 1 24 7.475 12.221 11.711 1.00 0.00 O ATOM 307 CB CYS 1 24 4.730 12.667 12.117 1.00 0.00 C ATOM 308 SG CYS 1 24 2.931 12.824 11.887 1.00 0.00 S ATOM 0 H CYS 1 24 4.047 9.597 12.094 1.00 0.00 H new ATOM 0 HA CYS 1 24 5.027 11.062 10.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.978 12.900 13.152 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 5.235 13.405 11.494 1.00 0.00 H new ATOM 313 N GLN 1 25 7.283 10.066 12.345 1.00 0.00 N ATOM 314 CA GLN 1 25 8.712 9.863 12.548 1.00 0.00 C ATOM 315 C GLN 1 25 8.981 8.431 13.004 1.00 0.00 C ATOM 316 O GLN 1 25 9.875 8.181 13.813 1.00 0.00 O ATOM 317 CB GLN 1 25 9.251 10.856 13.581 1.00 0.00 C ATOM 318 CG GLN 1 25 9.911 12.078 12.962 1.00 0.00 C ATOM 319 CD GLN 1 25 11.415 12.094 13.162 1.00 0.00 C ATOM 320 OE1 GLN 1 25 11.903 12.345 14.264 1.00 0.00 O ATOM 321 NE2 GLN 1 25 12.156 11.826 12.094 1.00 0.00 N ATOM 0 H GLN 1 25 6.713 9.242 12.538 1.00 0.00 H new ATOM 0 HA GLN 1 25 9.225 10.033 11.601 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.432 11.181 14.222 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.973 10.347 14.220 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.690 12.104 11.895 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 9.481 12.979 13.399 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 11.708 11.623 11.200 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 13.173 11.823 12.167 1.00 0.00 H new ATOM 330 N ASP 1 26 8.193 7.495 12.480 1.00 0.00 N ATOM 331 CA ASP 1 26 8.332 6.086 12.830 1.00 0.00 C ATOM 332 C ASP 1 26 7.313 5.238 12.068 1.00 0.00 C ATOM 333 O ASP 1 26 6.801 5.657 11.029 1.00 0.00 O ATOM 334 CB ASP 1 26 8.156 5.898 14.340 1.00 0.00 C ATOM 335 CG ASP 1 26 9.122 4.880 14.913 1.00 0.00 C ATOM 336 OD1 ASP 1 26 8.790 3.676 14.903 1.00 0.00 O ATOM 337 OD2 ASP 1 26 10.210 5.287 15.371 1.00 0.00 O ATOM 0 H ASP 1 26 7.449 7.689 11.809 1.00 0.00 H new ATOM 0 HA ASP 1 26 9.332 5.757 12.548 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 8.301 6.855 14.842 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 7.134 5.581 14.547 1.00 0.00 H new ATOM 342 N ARG 1 27 7.023 4.046 12.584 1.00 0.00 N ATOM 343 CA ARG 1 27 6.068 3.146 11.947 1.00 0.00 C ATOM 344 C ARG 1 27 6.563 2.728 10.561 1.00 0.00 C ATOM 345 O ARG 1 27 7.351 1.790 10.439 1.00 0.00 O ATOM 346 CB ARG 1 27 4.686 3.807 11.862 1.00 0.00 C ATOM 347 CG ARG 1 27 3.658 2.980 11.104 1.00 0.00 C ATOM 348 CD ARG 1 27 2.364 2.838 11.890 1.00 0.00 C ATOM 349 NE ARG 1 27 1.351 3.798 11.457 1.00 0.00 N ATOM 350 CZ ARG 1 27 0.279 4.119 12.176 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.075 3.561 13.363 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -0.593 5.002 11.708 1.00 0.00 N ATOM 0 H ARG 1 27 7.437 3.682 13.442 1.00 0.00 H new ATOM 0 HA ARG 1 27 5.978 2.247 12.556 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 4.318 3.991 12.871 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 4.787 4.778 11.377 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 3.451 3.449 10.142 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 4.068 1.992 10.895 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.978 1.826 11.772 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 2.567 2.980 12.951 1.00 0.00 H new ATOM 0 HE ARG 1 27 1.473 4.248 10.550 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.742 2.882 13.729 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -0.749 3.811 13.909 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -0.441 5.435 10.797 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -1.415 5.248 12.259 1.00 0.00 H new ATOM 366 N CYS 1 28 6.112 3.424 9.520 1.00 0.00 N ATOM 367 CA CYS 1 28 6.533 3.109 8.161 1.00 0.00 C ATOM 368 C CYS 1 28 6.393 4.318 7.241 1.00 0.00 C ATOM 369 O CYS 1 28 6.304 4.175 6.022 1.00 0.00 O ATOM 370 CB CYS 1 28 5.737 1.927 7.604 1.00 0.00 C ATOM 371 SG CYS 1 28 3.968 1.928 8.036 1.00 0.00 S ATOM 0 H CYS 1 28 5.459 4.205 9.592 1.00 0.00 H new ATOM 0 HA CYS 1 28 7.587 2.833 8.201 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 5.832 1.923 6.518 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 6.185 1.002 7.967 1.00 0.00 H new ATOM 376 N CYS 1 29 6.396 5.512 7.828 1.00 0.00 N ATOM 377 CA CYS 1 29 6.290 6.744 7.053 1.00 0.00 C ATOM 378 C CYS 1 29 6.631 7.954 7.892 1.00 0.00 C ATOM 379 O CYS 1 29 6.361 7.999 9.093 1.00 0.00 O ATOM 380 CB CYS 1 29 4.896 6.907 6.442 1.00 0.00 C ATOM 381 SG CYS 1 29 3.519 6.359 7.505 1.00 0.00 S ATOM 0 H CYS 1 29 6.471 5.652 8.836 1.00 0.00 H new ATOM 0 HA CYS 1 29 7.014 6.670 6.241 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.746 7.957 6.192 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 4.858 6.348 5.507 1.00 0.00 H new ATOM 386 N ASN 1 30 7.241 8.932 7.242 1.00 0.00 N ATOM 387 CA ASN 1 30 7.641 10.150 7.909 1.00 0.00 C ATOM 388 C ASN 1 30 6.792 11.327 7.467 1.00 0.00 C ATOM 389 O ASN 1 30 7.105 11.997 6.481 1.00 0.00 O ATOM 390 CB ASN 1 30 9.109 10.451 7.624 1.00 0.00 C ATOM 391 CG ASN 1 30 9.933 10.554 8.886 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.607 11.313 9.799 1.00 0.00 O ATOM 393 ND2 ASN 1 30 11.008 9.788 8.941 1.00 0.00 N ATOM 0 H ASN 1 30 7.469 8.901 6.248 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.498 10.002 8.979 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 9.521 9.667 6.988 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 9.184 11.385 7.068 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 11.608 9.810 9.765 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.238 9.175 8.159 1.00 0.00 H new ATOM 400 N ALA 1 31 5.743 11.602 8.227 1.00 0.00 N ATOM 401 CA ALA 1 31 4.883 12.736 7.938 1.00 0.00 C ATOM 402 C ALA 1 31 5.680 14.030 8.118 1.00 0.00 C ATOM 403 O ALA 1 31 5.227 15.118 7.761 1.00 0.00 O ATOM 404 CB ALA 1 31 3.647 12.705 8.831 1.00 0.00 C ATOM 0 H ALA 1 31 5.469 11.057 9.045 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.537 12.685 6.906 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.012 13.561 8.603 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.092 11.784 8.653 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.952 12.748 9.876 1.00 0.00 H new ATOM 410 N ALA 1 32 6.889 13.878 8.667 1.00 0.00 N ATOM 411 CA ALA 1 32 7.806 14.981 8.904 1.00 0.00 C ATOM 412 C ALA 1 32 8.703 15.211 7.697 1.00 0.00 C ATOM 413 O ALA 1 32 8.949 16.344 7.286 1.00 0.00 O ATOM 414 CB ALA 1 32 8.680 14.642 10.095 1.00 0.00 C ATOM 0 H ALA 1 32 7.256 12.973 8.960 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.224 15.884 9.089 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.373 15.462 10.283 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 8.054 14.487 10.974 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 9.243 13.732 9.886 1.00 0.00 H new ATOM 420 N THR 1 33 9.212 14.109 7.163 1.00 0.00 N ATOM 421 CA THR 1 33 10.120 14.136 6.027 1.00 0.00 C ATOM 422 C THR 1 33 9.375 14.030 4.701 1.00 0.00 C ATOM 423 O THR 1 33 9.980 14.139 3.635 1.00 0.00 O ATOM 424 CB THR 1 33 11.118 12.985 6.169 1.00 0.00 C ATOM 425 OG1 THR 1 33 12.435 13.411 5.877 1.00 0.00 O ATOM 426 CG2 THR 1 33 10.810 11.796 5.294 1.00 0.00 C ATOM 0 H THR 1 33 9.006 13.171 7.506 1.00 0.00 H new ATOM 0 HA THR 1 33 10.644 15.092 6.022 1.00 0.00 H new ATOM 0 HB THR 1 33 11.030 12.672 7.209 1.00 0.00 H new ATOM 0 HG1 THR 1 33 13.053 12.657 5.977 1.00 0.00 H new ATOM 0 HG21 THR 1 33 11.562 11.023 5.452 1.00 0.00 H new ATOM 0 HG22 THR 1 33 9.826 11.402 5.549 1.00 0.00 H new ATOM 0 HG23 THR 1 33 10.819 12.102 4.248 1.00 0.00 H new ATOM 434 N CYS 1 34 8.066 13.814 4.770 1.00 0.00 N ATOM 435 CA CYS 1 34 7.253 13.694 3.569 1.00 0.00 C ATOM 436 C CYS 1 34 7.596 12.415 2.800 1.00 0.00 C ATOM 437 O CYS 1 34 7.455 12.365 1.583 1.00 0.00 O ATOM 438 CB CYS 1 34 7.442 14.940 2.680 1.00 0.00 C ATOM 439 SG CYS 1 34 6.695 14.846 1.014 1.00 0.00 S ATOM 0 H CYS 1 34 7.548 13.719 5.643 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.205 13.630 3.862 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.021 15.801 3.199 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.510 15.126 2.569 1.00 0.00 H new ATOM 444 N LYS 1 35 8.048 11.368 3.498 1.00 0.00 N ATOM 445 CA LYS 1 35 8.381 10.125 2.805 1.00 0.00 C ATOM 446 C LYS 1 35 8.311 8.918 3.726 1.00 0.00 C ATOM 447 O LYS 1 35 8.633 9.005 4.911 1.00 0.00 O ATOM 448 CB LYS 1 35 9.776 10.211 2.190 1.00 0.00 C ATOM 449 CG LYS 1 35 9.780 10.697 0.749 1.00 0.00 C ATOM 450 CD LYS 1 35 10.176 9.588 -0.212 1.00 0.00 C ATOM 451 CE LYS 1 35 11.612 9.747 -0.687 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.937 8.809 -1.796 1.00 0.00 N ATOM 0 H LYS 1 35 8.187 11.355 4.508 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.638 9.994 2.018 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 10.388 10.882 2.792 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.244 9.228 2.234 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.790 11.070 0.487 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.473 11.532 0.648 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 10.059 8.622 0.278 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.505 9.593 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.773 10.772 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.292 9.572 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.924 8.949 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.808 7.829 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.306 8.992 -2.602 1.00 0.00 H new ATOM 466 N LEU 1 36 7.905 7.782 3.163 1.00 0.00 N ATOM 467 CA LEU 1 36 7.815 6.549 3.930 1.00 0.00 C ATOM 468 C LEU 1 36 9.172 6.225 4.553 1.00 0.00 C ATOM 469 O LEU 1 36 10.214 6.588 4.006 1.00 0.00 O ATOM 470 CB LEU 1 36 7.319 5.392 3.056 1.00 0.00 C ATOM 471 CG LEU 1 36 8.326 4.841 2.046 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.789 3.562 1.412 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.636 5.884 0.980 1.00 0.00 C ATOM 0 H LEU 1 36 7.635 7.693 2.183 1.00 0.00 H new ATOM 0 HA LEU 1 36 7.088 6.688 4.730 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.005 4.577 3.709 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.434 5.725 2.514 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.253 4.604 2.568 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.515 3.179 0.695 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 7.617 2.816 2.188 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 6.851 3.776 0.900 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.354 5.475 0.269 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.719 6.152 0.456 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 9.057 6.772 1.451 1.00 0.00 H new ATOM 485 N THR 1 37 9.159 5.576 5.711 1.00 0.00 N ATOM 486 CA THR 1 37 10.395 5.249 6.414 1.00 0.00 C ATOM 487 C THR 1 37 10.985 3.916 5.965 1.00 0.00 C ATOM 488 O THR 1 37 10.270 3.023 5.510 1.00 0.00 O ATOM 489 CB THR 1 37 10.152 5.225 7.922 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.932 4.573 8.224 1.00 0.00 O ATOM 491 CG2 THR 1 37 10.099 6.605 8.535 1.00 0.00 C ATOM 0 H THR 1 37 8.309 5.266 6.183 1.00 0.00 H new ATOM 0 HA THR 1 37 11.118 6.026 6.168 1.00 0.00 H new ATOM 0 HB THR 1 37 11.000 4.686 8.345 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.999 4.144 9.102 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.924 6.520 9.608 1.00 0.00 H new ATOM 0 HG22 THR 1 37 11.045 7.117 8.361 1.00 0.00 H new ATOM 0 HG23 THR 1 37 9.289 7.175 8.079 1.00 0.00 H new ATOM 499 N PRO 1 38 12.317 3.771 6.104 1.00 0.00 N ATOM 500 CA PRO 1 38 13.031 2.547 5.727 1.00 0.00 C ATOM 501 C PRO 1 38 12.373 1.296 6.294 1.00 0.00 C ATOM 502 O PRO 1 38 11.773 1.328 7.368 1.00 0.00 O ATOM 503 CB PRO 1 38 14.414 2.747 6.346 1.00 0.00 C ATOM 504 CG PRO 1 38 14.595 4.223 6.381 1.00 0.00 C ATOM 505 CD PRO 1 38 13.231 4.795 6.649 1.00 0.00 C ATOM 0 HA PRO 1 38 13.046 2.397 4.648 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 14.468 2.316 7.346 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 15.189 2.266 5.750 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 15.301 4.512 7.160 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.995 4.591 5.436 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 13.065 4.956 7.714 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 13.095 5.758 6.156 1.00 0.00 H new ATOM 513 N GLY 1 39 12.485 0.197 5.559 1.00 0.00 N ATOM 514 CA GLY 1 39 11.891 -1.051 5.999 1.00 0.00 C ATOM 515 C GLY 1 39 10.501 -1.252 5.432 1.00 0.00 C ATOM 516 O GLY 1 39 10.098 -2.379 5.141 1.00 0.00 O ATOM 0 H GLY 1 39 12.976 0.147 4.666 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.529 -1.882 5.697 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.843 -1.065 7.088 1.00 0.00 H new ATOM 520 N SER 1 40 9.768 -0.155 5.270 1.00 0.00 N ATOM 521 CA SER 1 40 8.418 -0.210 4.729 1.00 0.00 C ATOM 522 C SER 1 40 8.454 -0.380 3.215 1.00 0.00 C ATOM 523 O SER 1 40 8.975 0.473 2.498 1.00 0.00 O ATOM 524 CB SER 1 40 7.650 1.061 5.093 1.00 0.00 C ATOM 525 OG SER 1 40 6.333 1.029 4.570 1.00 0.00 O ATOM 0 H SER 1 40 10.089 0.784 5.507 1.00 0.00 H new ATOM 0 HA SER 1 40 7.909 -1.070 5.164 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.612 1.168 6.177 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.178 1.932 4.705 1.00 0.00 H new ATOM 0 HG SER 1 40 5.989 0.112 4.606 1.00 0.00 H new ATOM 531 N GLN 1 41 7.897 -1.485 2.734 1.00 0.00 N ATOM 532 CA GLN 1 41 7.869 -1.759 1.303 1.00 0.00 C ATOM 533 C GLN 1 41 6.866 -0.853 0.603 1.00 0.00 C ATOM 534 O GLN 1 41 7.135 -0.326 -0.477 1.00 0.00 O ATOM 535 CB GLN 1 41 7.516 -3.226 1.045 1.00 0.00 C ATOM 536 CG GLN 1 41 8.258 -4.198 1.947 1.00 0.00 C ATOM 537 CD GLN 1 41 8.577 -5.508 1.254 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.334 -5.543 0.284 1.00 0.00 O ATOM 539 NE2 GLN 1 41 7.998 -6.596 1.750 1.00 0.00 N ATOM 0 H GLN 1 41 7.460 -2.203 3.312 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.862 -1.559 0.900 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.443 -3.362 1.182 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.737 -3.467 0.005 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.185 -3.736 2.288 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 7.656 -4.397 2.834 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 7.377 -6.521 2.556 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 8.174 -7.506 1.325 1.00 0.00 H new ATOM 548 N CYS 1 42 5.708 -0.677 1.226 1.00 0.00 N ATOM 549 CA CYS 1 42 4.661 0.165 0.666 1.00 0.00 C ATOM 550 C CYS 1 42 3.561 0.416 1.690 1.00 0.00 C ATOM 551 O CYS 1 42 3.228 -0.462 2.486 1.00 0.00 O ATOM 552 CB CYS 1 42 4.073 -0.487 -0.583 1.00 0.00 C ATOM 553 SG CYS 1 42 2.779 0.503 -1.390 1.00 0.00 S ATOM 0 H CYS 1 42 5.471 -1.107 2.120 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.103 1.123 0.394 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.875 -0.670 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.659 -1.458 -0.313 1.00 0.00 H new ATOM 558 N ASN 1 43 2.999 1.620 1.666 1.00 0.00 N ATOM 559 CA ASN 1 43 1.937 1.979 2.595 1.00 0.00 C ATOM 560 C ASN 1 43 0.577 1.977 1.903 1.00 0.00 C ATOM 561 O ASN 1 43 -0.435 1.628 2.510 1.00 0.00 O ATOM 562 CB ASN 1 43 2.202 3.352 3.212 1.00 0.00 C ATOM 563 CG ASN 1 43 1.320 3.627 4.414 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.046 3.905 4.162 1.00 0.00 O flip ATOM 565 ND2 ASN 1 43 1.777 3.589 5.556 1.00 0.00 N flip ATOM 0 H ASN 1 43 3.261 2.360 1.015 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.924 1.230 3.387 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 3.248 3.417 3.510 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 2.037 4.123 2.460 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.762 3.371 5.704 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.170 3.775 6.355 1.00 0.00 H new ATOM 572 N TYR 1 44 0.556 2.372 0.632 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.692 2.414 -0.128 1.00 0.00 C ATOM 574 C TYR 1 44 -0.546 1.729 -1.483 1.00 0.00 C ATOM 575 O TYR 1 44 0.453 1.910 -2.178 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.157 3.868 -0.313 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.781 4.481 -1.650 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.442 4.113 -2.818 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.232 5.426 -1.740 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.101 4.671 -4.035 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.577 5.989 -2.954 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.092 5.608 -4.098 1.00 0.00 C ATOM 583 OH TYR 1 44 0.249 6.166 -5.309 1.00 0.00 O ATOM 0 H TYR 1 44 1.381 2.665 0.110 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.445 1.869 0.441 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.241 3.907 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.732 4.477 0.485 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.234 3.380 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.759 5.726 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.623 4.374 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 1.367 6.724 -3.006 1.00 0.00 H new ATOM 0 HH TYR 1 44 0.977 6.809 -5.180 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.559 0.959 -1.861 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.533 0.273 -3.138 1.00 0.00 C ATOM 595 C GLY 1 45 -2.272 -1.048 -3.102 1.00 0.00 C ATOM 596 O GLY 1 45 -2.593 -1.561 -2.030 1.00 0.00 O ATOM 0 H GLY 1 45 -2.399 0.797 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.977 0.913 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.498 0.099 -3.432 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.544 -1.598 -4.279 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.254 -2.867 -4.386 1.00 0.00 C ATOM 602 C GLU 1 46 -2.520 -3.976 -3.638 1.00 0.00 C ATOM 603 O GLU 1 46 -3.142 -4.895 -3.106 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.421 -3.256 -5.855 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.656 -2.656 -6.507 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.397 -2.184 -7.924 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.456 -1.386 -8.121 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.135 -2.611 -8.837 1.00 0.00 O ATOM 0 H GLU 1 46 -2.283 -1.185 -5.174 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.237 -2.740 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.538 -2.939 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.472 -4.342 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.454 -3.398 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.007 -1.817 -5.907 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.194 -3.890 -3.608 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.379 -4.894 -2.931 1.00 0.00 C ATOM 617 C CYS 1 47 0.293 -4.322 -1.689 1.00 0.00 C ATOM 618 O CYS 1 47 1.333 -4.815 -1.265 1.00 0.00 O ATOM 619 CB CYS 1 47 0.693 -5.432 -3.882 1.00 0.00 C ATOM 620 SG CYS 1 47 0.202 -6.925 -4.797 1.00 0.00 S ATOM 0 H CYS 1 47 -0.661 -3.137 -4.044 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.042 -5.703 -2.624 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 0.953 -4.651 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.594 -5.651 -3.309 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.295 -3.281 -1.112 1.00 0.00 N ATOM 626 CA CYS 1 48 0.275 -2.657 0.078 1.00 0.00 C ATOM 627 C CYS 1 48 -0.644 -2.818 1.283 1.00 0.00 C ATOM 628 O CYS 1 48 -1.812 -2.431 1.245 1.00 0.00 O ATOM 629 CB CYS 1 48 0.549 -1.176 -0.185 1.00 0.00 C ATOM 630 SG CYS 1 48 1.322 -0.848 -1.802 1.00 0.00 S ATOM 0 H CYS 1 48 -1.159 -2.853 -1.445 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.215 -3.160 0.305 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.390 -0.626 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.197 -0.790 0.602 1.00 0.00 H new ATOM 635 N ASP 1 49 -0.104 -3.394 2.353 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.867 -3.611 3.575 1.00 0.00 C ATOM 637 C ASP 1 49 -0.035 -3.261 4.805 1.00 0.00 C ATOM 638 O ASP 1 49 1.068 -3.776 4.988 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.336 -5.065 3.658 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.316 -5.293 4.792 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.346 -4.464 5.726 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.052 -6.301 4.747 1.00 0.00 O ATOM 0 H ASP 1 49 0.862 -3.719 2.397 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.739 -2.957 3.550 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.804 -5.347 2.715 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.472 -5.715 3.792 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.573 -2.382 5.643 1.00 0.00 N ATOM 648 CA GLN 1 50 0.111 -1.957 6.858 1.00 0.00 C ATOM 649 C GLN 1 50 1.385 -1.185 6.526 1.00 0.00 C ATOM 650 O GLN 1 50 1.390 0.046 6.520 1.00 0.00 O ATOM 651 CB GLN 1 50 0.438 -3.166 7.740 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.572 -3.397 8.853 1.00 0.00 C ATOM 653 CD GLN 1 50 0.068 -3.937 10.117 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.045 -5.141 10.373 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.643 -3.046 10.916 1.00 0.00 N ATOM 0 H GLN 1 50 -1.485 -1.948 5.502 1.00 0.00 H new ATOM 0 HA GLN 1 50 -0.557 -1.293 7.407 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.489 -4.058 7.116 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.426 -3.028 8.180 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -1.079 -2.459 9.079 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -1.334 -4.096 8.508 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.639 -2.058 10.664 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 1.089 -3.350 11.781 1.00 0.00 H new ATOM 664 N CYS 1 51 2.464 -1.912 6.253 1.00 0.00 N ATOM 665 CA CYS 1 51 3.743 -1.287 5.925 1.00 0.00 C ATOM 666 C CYS 1 51 4.597 -2.188 5.031 1.00 0.00 C ATOM 667 O CYS 1 51 5.814 -2.016 4.948 1.00 0.00 O ATOM 668 CB CYS 1 51 4.518 -0.957 7.205 1.00 0.00 C ATOM 669 SG CYS 1 51 3.566 -0.020 8.449 1.00 0.00 S ATOM 0 H CYS 1 51 2.480 -2.932 6.252 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.527 -0.368 5.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.863 -1.888 7.656 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.406 -0.384 6.939 1.00 0.00 H new ATOM 674 N ARG 1 52 3.961 -3.146 4.363 1.00 0.00 N ATOM 675 CA ARG 1 52 4.677 -4.063 3.482 1.00 0.00 C ATOM 676 C ARG 1 52 3.793 -4.501 2.320 1.00 0.00 C ATOM 677 O ARG 1 52 2.627 -4.116 2.238 1.00 0.00 O ATOM 678 CB ARG 1 52 5.154 -5.288 4.265 1.00 0.00 C ATOM 679 CG ARG 1 52 6.002 -4.942 5.478 1.00 0.00 C ATOM 680 CD ARG 1 52 6.890 -6.107 5.887 1.00 0.00 C ATOM 681 NE ARG 1 52 8.235 -5.992 5.329 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.131 -5.095 5.733 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.830 -4.233 6.696 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.332 -5.059 5.173 1.00 0.00 N ATOM 0 H ARG 1 52 2.955 -3.307 4.414 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.543 -3.538 3.079 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.286 -5.861 4.590 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.731 -5.932 3.601 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.620 -4.072 5.255 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.354 -4.667 6.310 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 6.951 -6.152 6.974 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 6.438 -7.041 5.554 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.503 -6.637 4.586 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.908 -4.256 7.131 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.521 -3.548 7.001 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.569 -5.719 4.432 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.019 -4.371 5.483 1.00 0.00 H new ATOM 698 N PHE 1 53 4.352 -5.307 1.422 1.00 0.00 N ATOM 699 CA PHE 1 53 3.602 -5.788 0.269 1.00 0.00 C ATOM 700 C PHE 1 53 2.745 -6.987 0.638 1.00 0.00 C ATOM 701 O PHE 1 53 3.190 -7.882 1.357 1.00 0.00 O ATOM 702 CB PHE 1 53 4.540 -6.174 -0.880 1.00 0.00 C ATOM 703 CG PHE 1 53 5.083 -5.001 -1.642 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.307 -3.874 -1.849 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.369 -5.029 -2.155 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.800 -2.797 -2.551 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.871 -3.951 -2.860 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.084 -2.833 -3.058 1.00 0.00 C ATOM 0 H PHE 1 53 5.315 -5.638 1.471 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.957 -4.972 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.373 -6.751 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.004 -6.826 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.302 -3.839 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.986 -5.902 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.183 -1.924 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.876 -3.983 -3.255 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.472 -1.989 -3.608 1.00 0.00 H new ATOM 718 N LYS 1 54 1.519 -7.013 0.128 1.00 0.00 N ATOM 719 CA LYS 1 54 0.622 -8.124 0.396 1.00 0.00 C ATOM 720 C LYS 1 54 1.204 -9.398 -0.198 1.00 0.00 C ATOM 721 O LYS 1 54 1.114 -9.623 -1.401 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.765 -7.848 -0.187 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.817 -7.564 0.871 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.974 -6.757 0.307 1.00 0.00 C ATOM 725 CE LYS 1 54 -4.109 -6.642 1.311 1.00 0.00 C ATOM 726 NZ LYS 1 54 -5.442 -6.688 0.650 1.00 0.00 N ATOM 0 H LYS 1 54 1.128 -6.283 -0.468 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.517 -8.246 1.474 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.703 -6.997 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -1.079 -8.707 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -2.191 -8.505 1.274 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.363 -7.020 1.699 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.626 -5.761 0.033 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.339 -7.229 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -4.035 -7.452 2.036 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.010 -5.708 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -6.189 -6.607 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -5.523 -5.900 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -5.547 -7.590 0.142 1.00 0.00 H new ATOM 740 N LYS 1 55 1.822 -10.213 0.655 1.00 0.00 N ATOM 741 CA LYS 1 55 2.452 -11.465 0.232 1.00 0.00 C ATOM 742 C LYS 1 55 1.797 -12.046 -1.009 1.00 0.00 C ATOM 743 O LYS 1 55 0.572 -12.061 -1.133 1.00 0.00 O ATOM 744 CB LYS 1 55 2.394 -12.496 1.355 1.00 0.00 C ATOM 745 CG LYS 1 55 0.981 -12.839 1.788 1.00 0.00 C ATOM 746 CD LYS 1 55 0.903 -14.231 2.399 1.00 0.00 C ATOM 747 CE LYS 1 55 1.915 -14.409 3.520 1.00 0.00 C ATOM 748 NZ LYS 1 55 1.778 -15.733 4.188 1.00 0.00 N ATOM 0 H LYS 1 55 1.901 -10.026 1.655 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.489 -11.231 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 2.897 -13.406 1.028 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.947 -12.117 2.214 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 0.634 -12.103 2.513 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 0.313 -12.780 0.929 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -0.102 -14.404 2.785 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 1.081 -14.979 1.626 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 2.923 -14.308 3.118 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 1.784 -13.616 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 2.486 -15.814 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 0.824 -15.820 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 1.928 -16.490 3.491 1.00 0.00 H new ATOM 762 N ALA 1 56 2.624 -12.534 -1.922 1.00 0.00 N ATOM 763 CA ALA 1 56 2.132 -13.130 -3.148 1.00 0.00 C ATOM 764 C ALA 1 56 1.040 -14.132 -2.836 1.00 0.00 C ATOM 765 O ALA 1 56 1.081 -14.814 -1.811 1.00 0.00 O ATOM 766 CB ALA 1 56 3.253 -13.804 -3.915 1.00 0.00 C ATOM 0 H ALA 1 56 3.640 -12.527 -1.833 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.723 -12.336 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 2.855 -14.243 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.016 -13.067 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.695 -14.588 -3.300 1.00 0.00 H new ATOM 772 N GLY 1 57 0.057 -14.197 -3.704 1.00 0.00 N ATOM 773 CA GLY 1 57 -1.051 -15.102 -3.483 1.00 0.00 C ATOM 774 C GLY 1 57 -2.258 -14.367 -2.945 1.00 0.00 C ATOM 775 O GLY 1 57 -3.373 -14.888 -2.963 1.00 0.00 O ATOM 0 H GLY 1 57 -0.000 -13.643 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.311 -15.598 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.753 -15.881 -2.781 1.00 0.00 H new ATOM 779 N THR 1 58 -2.034 -13.138 -2.480 1.00 0.00 N ATOM 780 CA THR 1 58 -3.112 -12.312 -1.961 1.00 0.00 C ATOM 781 C THR 1 58 -3.917 -11.733 -3.119 1.00 0.00 C ATOM 782 O THR 1 58 -3.396 -10.952 -3.916 1.00 0.00 O ATOM 783 CB THR 1 58 -2.553 -11.180 -1.098 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.863 -11.696 0.026 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.626 -10.246 -0.591 1.00 0.00 C ATOM 0 H THR 1 58 -1.115 -12.697 -2.454 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.761 -12.931 -1.342 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.877 -10.622 -1.746 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.911 -11.787 -0.188 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -3.170 -9.463 0.015 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -4.145 -9.794 -1.437 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.339 -10.805 0.015 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.179 -12.129 -3.223 1.00 0.00 N ATOM 794 CA VAL 1 59 -6.031 -11.651 -4.304 1.00 0.00 C ATOM 795 C VAL 1 59 -6.444 -10.196 -4.100 1.00 0.00 C ATOM 796 O VAL 1 59 -7.067 -9.853 -3.095 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.303 -12.512 -4.451 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.137 -12.459 -3.180 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.121 -12.059 -5.653 1.00 0.00 C ATOM 0 H VAL 1 59 -5.633 -12.775 -2.577 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.436 -11.729 -5.214 1.00 0.00 H new ATOM 0 HB VAL 1 59 -7.000 -13.546 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -9.029 -13.073 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.550 -12.838 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.430 -11.428 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.014 -12.678 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.413 -11.017 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.522 -12.157 -6.558 1.00 0.00 H new ATOM 809 N CYS 1 60 -6.103 -9.348 -5.066 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.453 -7.930 -4.994 1.00 0.00 C ATOM 811 C CYS 1 60 -7.541 -7.569 -6.005 1.00 0.00 C ATOM 812 O CYS 1 60 -8.198 -6.536 -5.879 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.225 -7.055 -5.245 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.697 -7.670 -4.477 1.00 0.00 S ATOM 0 H CYS 1 60 -5.587 -9.615 -5.905 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.833 -7.745 -3.989 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.068 -6.970 -6.320 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.427 -6.051 -4.872 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.718 -8.417 -7.015 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.719 -8.173 -8.053 1.00 0.00 C ATOM 821 C ARG 1 61 -9.209 -9.480 -8.673 1.00 0.00 C ATOM 822 O ARG 1 61 -8.795 -10.569 -8.274 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.142 -7.265 -9.151 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.024 -6.068 -9.478 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.065 -5.764 -10.976 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.791 -6.030 -11.652 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.643 -5.431 -11.344 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.605 -4.482 -10.417 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.529 -5.770 -11.980 1.00 0.00 N ATOM 0 H ARG 1 61 -7.184 -9.277 -7.138 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.568 -7.677 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.161 -6.908 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.992 -7.854 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.036 -6.258 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.656 -5.193 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.848 -6.363 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.335 -4.718 -11.121 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.784 -6.717 -12.406 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.460 -4.206 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.721 -4.028 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.553 -6.489 -12.704 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.648 -5.312 -11.745 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.089 -9.352 -9.657 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.646 -10.498 -10.360 1.00 0.00 C ATOM 845 C ILE 1 62 -11.672 -10.032 -11.376 1.00 0.00 C ATOM 846 O ILE 1 62 -12.499 -9.168 -11.088 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.309 -11.506 -9.403 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.900 -12.684 -10.183 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.389 -10.823 -8.582 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.868 -13.500 -10.929 1.00 0.00 C ATOM 0 H ILE 1 62 -10.436 -8.452 -9.989 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.817 -11.002 -10.858 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.545 -11.890 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.434 -13.335 -9.491 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.634 -12.305 -10.894 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.849 -11.548 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.946 -10.017 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.148 -10.414 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.362 -14.316 -11.457 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.350 -12.864 -11.647 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.147 -13.910 -10.221 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.612 -10.603 -12.565 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.539 -10.233 -13.619 1.00 0.00 C ATOM 864 C ALA 1 63 -13.972 -10.628 -13.243 1.00 0.00 C ATOM 865 O ALA 1 63 -14.633 -9.912 -12.491 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.103 -10.832 -14.949 1.00 0.00 C ATOM 0 H ALA 1 63 -10.935 -11.321 -12.824 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.527 -9.149 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.810 -10.544 -15.727 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.110 -10.463 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.076 -11.919 -14.867 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.451 -11.763 -13.749 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.802 -12.219 -13.431 1.00 0.00 C ATOM 874 C ARG 1 64 -15.858 -13.738 -13.282 1.00 0.00 C ATOM 875 O ARG 1 64 -16.182 -14.449 -14.231 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.782 -11.766 -14.517 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.595 -10.542 -14.129 1.00 0.00 C ATOM 878 CD ARG 1 64 -16.890 -9.256 -14.527 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.427 -8.095 -13.821 1.00 0.00 N ATOM 880 CZ ARG 1 64 -16.786 -6.934 -13.707 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -15.586 -6.774 -14.251 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -17.346 -5.930 -13.048 1.00 0.00 N ATOM 0 H ARG 1 64 -13.930 -12.378 -14.374 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.087 -11.775 -12.478 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.226 -11.549 -15.429 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.462 -12.586 -14.746 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.572 -10.586 -14.609 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.768 -10.545 -13.053 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -15.824 -9.347 -14.317 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.991 -9.105 -15.602 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.348 -8.179 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -15.150 -7.543 -14.760 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -15.100 -5.882 -14.160 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -18.268 -6.047 -12.628 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -16.855 -5.040 -12.961 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.562 -14.234 -12.087 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.601 -15.666 -11.859 1.00 0.00 C ATOM 898 C GLY 1 65 -14.318 -16.194 -11.257 1.00 0.00 C ATOM 899 O GLY 1 65 -14.048 -15.993 -10.072 1.00 0.00 O ATOM 0 H GLY 1 65 -15.297 -13.675 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.433 -15.902 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.792 -16.176 -12.804 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.524 -16.871 -12.077 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.257 -17.432 -11.624 1.00 0.00 C ATOM 905 C ASP 1 66 -11.527 -18.142 -12.760 1.00 0.00 C ATOM 906 O ASP 1 66 -11.722 -19.335 -12.994 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.486 -18.400 -10.460 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.189 -17.767 -9.115 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.049 -17.297 -8.919 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.097 -17.742 -8.257 1.00 0.00 O ATOM 0 H ASP 1 66 -13.735 -17.045 -13.060 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.632 -16.607 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.520 -18.745 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.855 -19.279 -10.592 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.678 -17.394 -13.453 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.895 -17.929 -14.564 1.00 0.00 C ATOM 917 C TRP 1 67 -8.413 -17.769 -14.273 1.00 0.00 C ATOM 918 O TRP 1 67 -7.693 -18.740 -14.039 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.243 -17.196 -15.866 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.172 -16.036 -15.672 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.903 -14.854 -15.035 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.524 -15.951 -16.119 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.012 -14.052 -15.050 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.019 -14.699 -15.716 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.364 -16.815 -16.821 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.318 -14.291 -15.993 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.656 -16.410 -17.098 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.122 -15.156 -16.685 1.00 0.00 C ATOM 0 H TRP 1 67 -10.512 -16.405 -13.264 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.132 -18.987 -14.679 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.323 -16.840 -16.330 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.698 -17.903 -16.560 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.956 -14.593 -14.587 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.078 -13.123 -14.633 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.011 -17.784 -17.143 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.681 -13.325 -15.673 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.316 -17.070 -17.641 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.136 -14.865 -16.917 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.981 -16.519 -14.279 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.598 -16.168 -14.006 1.00 0.00 C ATOM 941 C ASN 1 68 -6.489 -15.598 -12.609 1.00 0.00 C ATOM 942 O ASN 1 68 -5.579 -15.932 -11.850 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.102 -15.129 -15.006 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.715 -15.298 -16.385 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.962 -14.860 -16.537 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.077 -15.816 -17.302 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.581 -15.718 -14.474 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.987 -17.067 -14.094 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.332 -14.132 -14.631 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.017 -15.197 -15.085 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.123 -16.138 -17.141 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.503 -15.923 -18.223 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.437 -14.728 -12.279 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.473 -14.094 -10.975 1.00 0.00 C ATOM 955 C ASP 1 69 -6.383 -13.050 -10.846 1.00 0.00 C ATOM 956 O ASP 1 69 -5.410 -13.047 -11.600 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.294 -15.133 -9.877 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.178 -14.870 -8.674 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.319 -15.378 -8.653 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -7.730 -14.155 -7.753 1.00 0.00 O ATOM 0 H ASP 1 69 -8.193 -14.447 -12.904 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.444 -13.609 -10.871 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.517 -16.122 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.251 -15.146 -9.561 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.542 -12.182 -9.864 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.565 -11.147 -9.602 1.00 0.00 C ATOM 967 C ASP 1 70 -4.885 -11.425 -8.281 1.00 0.00 C ATOM 968 O ASP 1 70 -5.542 -11.524 -7.248 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.230 -9.777 -9.595 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.218 -8.652 -9.588 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.124 -8.849 -9.022 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.518 -7.578 -10.145 1.00 0.00 O ATOM 0 H ASP 1 70 -7.343 -12.175 -9.233 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.815 -11.148 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.871 -9.682 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.873 -9.691 -8.719 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.571 -11.603 -8.322 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.837 -11.931 -7.117 1.00 0.00 C ATOM 979 C TYR 1 71 -1.559 -11.143 -6.944 1.00 0.00 C ATOM 980 O TYR 1 71 -0.836 -10.865 -7.900 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.507 -13.410 -7.124 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.688 -14.257 -6.772 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -4.145 -14.292 -5.473 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.347 -15.008 -7.731 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.230 -15.054 -5.119 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.439 -15.777 -7.397 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.881 -15.801 -6.086 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.971 -16.568 -5.742 1.00 0.00 O ATOM 0 H TYR 1 71 -3.003 -11.526 -9.165 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.483 -11.666 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.141 -13.693 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.700 -13.603 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.639 -13.708 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.000 -14.990 -8.754 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.573 -15.071 -4.095 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.947 -16.357 -8.153 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.311 -17.028 -6.537 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.285 -10.816 -5.692 1.00 0.00 N ATOM 999 CA CYS 1 72 -0.087 -10.087 -5.331 1.00 0.00 C ATOM 1000 C CYS 1 72 1.150 -10.900 -5.690 1.00 0.00 C ATOM 1001 O CYS 1 72 1.058 -12.099 -5.962 1.00 0.00 O ATOM 1002 CB CYS 1 72 -0.090 -9.801 -3.832 1.00 0.00 C ATOM 1003 SG CYS 1 72 -0.613 -8.118 -3.372 1.00 0.00 S ATOM 0 H CYS 1 72 -1.886 -11.049 -4.902 1.00 0.00 H new ATOM 0 HA CYS 1 72 -0.068 -9.146 -5.881 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.749 -10.517 -3.342 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.913 -9.973 -3.442 1.00 0.00 H new ATOM 1008 N THR 1 73 2.304 -10.248 -5.679 1.00 0.00 N ATOM 1009 CA THR 1 73 3.558 -10.918 -5.996 1.00 0.00 C ATOM 1010 C THR 1 73 4.581 -10.740 -4.873 1.00 0.00 C ATOM 1011 O THR 1 73 5.718 -11.197 -4.982 1.00 0.00 O ATOM 1012 CB THR 1 73 4.118 -10.381 -7.313 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.749 -9.128 -7.117 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.056 -10.203 -8.376 1.00 0.00 C ATOM 0 H THR 1 73 2.398 -9.258 -5.454 1.00 0.00 H new ATOM 0 HA THR 1 73 3.358 -11.984 -6.100 1.00 0.00 H new ATOM 0 HB THR 1 73 4.834 -11.129 -7.655 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.102 -8.802 -7.971 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.514 -9.819 -9.288 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.584 -11.163 -8.583 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.303 -9.498 -8.024 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.168 -10.079 -3.792 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.058 -9.861 -2.666 1.00 0.00 C ATOM 1024 C GLY 1 74 6.347 -9.166 -3.057 1.00 0.00 C ATOM 1025 O GLY 1 74 7.367 -9.316 -2.385 1.00 0.00 O ATOM 0 H GLY 1 74 3.232 -9.691 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.543 -9.264 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.294 -10.820 -2.205 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.307 -8.403 -4.145 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.489 -7.688 -4.613 1.00 0.00 C ATOM 1031 C LYS 1 75 7.116 -6.386 -5.318 1.00 0.00 C ATOM 1032 O LYS 1 75 7.919 -5.829 -6.067 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.303 -8.575 -5.555 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.713 -9.900 -4.936 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.814 -10.575 -5.738 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.536 -12.057 -5.934 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.981 -12.688 -4.705 1.00 0.00 N ATOM 0 H LYS 1 75 5.473 -8.264 -4.716 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.091 -7.437 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.719 -8.769 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.198 -8.036 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.055 -9.735 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.847 -10.559 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 9.907 -10.090 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.768 -10.448 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 8.834 -12.188 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 10.458 -12.564 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.224 -13.699 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 9.385 -12.226 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 7.947 -12.580 -4.696 1.00 0.00 H new ATOM 1051 N SER 1 76 5.901 -5.901 -5.078 1.00 0.00 N ATOM 1052 CA SER 1 76 5.446 -4.662 -5.699 1.00 0.00 C ATOM 1053 C SER 1 76 4.092 -4.229 -5.147 1.00 0.00 C ATOM 1054 O SER 1 76 3.391 -5.010 -4.503 1.00 0.00 O ATOM 1055 CB SER 1 76 5.358 -4.833 -7.217 1.00 0.00 C ATOM 1056 OG SER 1 76 5.597 -3.605 -7.883 1.00 0.00 O ATOM 0 H SER 1 76 5.219 -6.344 -4.463 1.00 0.00 H new ATOM 0 HA SER 1 76 6.173 -3.885 -5.464 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.085 -5.576 -7.545 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.372 -5.211 -7.487 1.00 0.00 H new ATOM 0 HG SER 1 76 5.537 -3.741 -8.852 1.00 0.00 H new ATOM 1062 N SER 1 77 3.730 -2.977 -5.411 1.00 0.00 N ATOM 1063 CA SER 1 77 2.458 -2.427 -4.953 1.00 0.00 C ATOM 1064 C SER 1 77 1.353 -2.672 -5.977 1.00 0.00 C ATOM 1065 O SER 1 77 0.261 -2.114 -5.866 1.00 0.00 O ATOM 1066 CB SER 1 77 2.594 -0.925 -4.694 1.00 0.00 C ATOM 1067 OG SER 1 77 3.304 -0.289 -5.743 1.00 0.00 O ATOM 0 H SER 1 77 4.303 -2.321 -5.942 1.00 0.00 H new ATOM 0 HA SER 1 77 2.189 -2.932 -4.025 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.604 -0.478 -4.597 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.111 -0.761 -3.749 1.00 0.00 H new ATOM 0 HG SER 1 77 3.376 0.670 -5.555 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.641 -3.502 -6.977 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.667 -3.805 -8.019 1.00 0.00 C ATOM 1075 C ASP 1 78 0.230 -5.264 -7.961 1.00 0.00 C ATOM 1076 O ASP 1 78 1.021 -6.151 -7.640 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.252 -3.491 -9.397 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.049 -2.043 -9.796 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 -0.119 -1.607 -9.875 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.057 -1.344 -10.029 1.00 0.00 O ATOM 0 H ASP 1 78 2.538 -3.975 -7.086 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.210 -3.180 -7.849 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.318 -3.719 -9.396 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.788 -4.138 -10.141 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.038 -5.501 -8.277 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.597 -6.848 -8.267 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.090 -7.242 -9.661 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.161 -6.813 -10.090 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.749 -6.923 -7.264 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.596 -8.283 -6.065 1.00 0.00 S ATOM 0 H CYS 1 79 -1.701 -4.774 -8.545 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.814 -7.546 -7.971 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.808 -5.979 -6.722 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.686 -7.036 -7.810 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.315 -8.065 -10.393 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.688 -8.508 -11.743 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.857 -9.491 -11.737 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.845 -10.481 -11.007 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.419 -9.194 -12.252 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.278 -9.657 -11.021 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.018 -8.625 -9.967 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.023 -7.677 -12.364 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.657 -10.029 -12.911 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.202 -8.504 -12.824 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.080 -10.640 -10.716 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.351 -9.746 -11.190 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.079 -9.071 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.756 -7.859 -9.926 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.869 -9.202 -12.553 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.057 -10.053 -12.642 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.969 -11.065 -13.779 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.735 -12.028 -13.826 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.317 -9.208 -12.794 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.371 -8.380 -14.041 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.338 -8.013 -14.856 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.546 -7.806 -14.602 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.807 -7.230 -15.882 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.164 -7.092 -15.746 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.887 -7.830 -14.235 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.082 -6.402 -16.528 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.803 -7.148 -15.011 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.396 -6.440 -16.148 1.00 0.00 C ATOM 0 H TRP 1 81 -3.891 -8.385 -13.163 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.108 -10.614 -11.709 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.184 -9.868 -12.775 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.400 -8.547 -11.932 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.306 -8.297 -14.714 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.239 -6.819 -16.623 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.207 -8.373 -13.358 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.769 -5.855 -17.405 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.848 -7.161 -14.737 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.133 -5.914 -16.736 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.037 -10.843 -14.685 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.842 -11.736 -15.824 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.083 -11.776 -16.705 1.00 0.00 C ATOM 1136 O ASN 1 82 -6.051 -12.471 -16.397 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.508 -13.148 -15.341 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.140 -13.230 -14.692 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.115 -13.232 -15.373 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.118 -13.299 -13.366 1.00 0.00 N ATOM 0 H ASN 1 82 -3.397 -10.049 -14.659 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.010 -11.351 -16.413 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.265 -13.473 -14.628 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.548 -13.837 -16.185 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.227 -13.357 -12.873 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.992 -13.294 -12.841 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.050 -11.029 -17.802 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.177 -10.986 -18.723 1.00 0.00 C ATOM 1149 C HIS 1 83 -5.753 -10.448 -20.086 1.00 0.00 C ATOM 1150 O HIS 1 83 -6.640 -10.029 -20.859 1.00 0.00 O ATOM 1151 CB HIS 1 83 -7.294 -10.121 -18.142 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.154 -10.860 -17.171 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.161 -10.868 -15.817 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -9.140 -11.739 -17.562 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -9.140 -11.743 -15.421 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -9.715 -12.255 -16.494 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -4.536 -10.450 -20.369 1.00 0.00 O ATOM 0 H HIS 1 83 -4.258 -10.447 -18.074 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.544 -12.003 -18.860 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -6.856 -9.255 -17.646 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -7.914 -9.743 -18.955 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -7.552 -10.325 -15.206 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -9.401 -11.969 -18.584 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.399 -11.975 -14.398 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -10.475 -12.935 -16.496 1.00 0.00 H new