USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN :FLIP amide:sc= -0.631 F(o=-11,f=-9.3) USER MOD Set 1.2: 1 83 HIS :FLIP no HD1:sc= -8.71! C(o=-11!,f=-9.3!) USER MOD Set 2.1: 1 30 ASN : amide:sc= -8.63! C(o=-12!,f=-12!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -3.57! USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 134:sc= 0.128 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0.702 K(o=0.7,f=-0.3) USER MOD Single : 1 20 SER OG : rot 71:sc= 1.16 USER MOD Single : 1 23 ASN : amide:sc= -3.32 K(o=-3.3,f=-4.5!) USER MOD Single : 1 25 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.2!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 83:sc= -4.23! USER MOD Single : 1 40 SER OG : rot 89:sc= -1.14 USER MOD Single : 1 41 GLN : amide:sc=-0.00374 K(o=-0.0037,f=-7.3!) USER MOD Single : 1 43 ASN : amide:sc= -2.39! C(o=-2.4!,f=-6.1!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : 1 54 LYS NZ :NH3+ 166:sc= -0.632 (180deg=-1.11) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 0.911 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -170:sc= -1.69 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot -47:sc= 0.422 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.013 USER MOD Single : 1 82 ASN :FLIP amide:sc= 0.016 F(o=-0.51,f=0.016) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -2.723 15.822 11.427 1.00 0.00 N ATOM 43 CA VAL 1 4 -2.044 15.194 10.341 1.00 0.00 C ATOM 44 C VAL 1 4 -0.898 16.067 9.878 1.00 0.00 C ATOM 45 O VAL 1 4 -1.089 17.043 9.153 1.00 0.00 O ATOM 46 CB VAL 1 4 -3.008 14.943 9.164 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -4.063 16.037 9.074 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.234 14.849 7.873 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.658 14.235 10.687 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.522 13.998 9.339 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -4.728 15.833 8.235 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -4.641 16.062 9.998 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.576 17.001 8.925 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -2.923 14.672 7.048 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.696 15.782 7.703 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -1.522 14.026 7.935 1.00 0.00 H new ATOM 58 N CYS 1 5 0.286 15.707 10.311 1.00 0.00 N ATOM 59 CA CYS 1 5 1.475 16.460 9.950 1.00 0.00 C ATOM 60 C CYS 1 5 1.722 16.324 8.452 1.00 0.00 C ATOM 61 O CYS 1 5 2.286 15.336 7.983 1.00 0.00 O ATOM 62 CB CYS 1 5 2.698 15.958 10.731 1.00 0.00 C ATOM 63 SG CYS 1 5 2.353 15.424 12.443 1.00 0.00 S ATOM 0 H CYS 1 5 0.458 14.901 10.912 1.00 0.00 H new ATOM 0 HA CYS 1 5 1.318 17.508 10.203 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.140 15.123 10.188 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 3.445 16.752 10.757 1.00 0.00 H new ATOM 68 N GLY 1 6 1.267 17.333 7.709 1.00 0.00 N ATOM 69 CA GLY 1 6 1.407 17.335 6.265 1.00 0.00 C ATOM 70 C GLY 1 6 0.064 17.219 5.557 1.00 0.00 C ATOM 71 O GLY 1 6 0.009 16.919 4.365 1.00 0.00 O ATOM 0 H GLY 1 6 0.800 18.156 8.089 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.903 18.253 5.951 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.048 16.507 5.963 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.022 17.452 6.301 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.378 17.366 5.754 1.00 0.00 C ATOM 77 C ASN 1 7 -2.662 15.962 5.237 1.00 0.00 C ATOM 78 O ASN 1 7 -1.837 15.375 4.539 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.579 18.379 4.623 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.204 19.672 5.108 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -4.389 19.924 4.887 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.408 20.502 5.773 1.00 0.00 N ATOM 0 H ASN 1 7 -0.986 17.703 7.289 1.00 0.00 H new ATOM 0 HA ASN 1 7 -3.074 17.597 6.560 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.617 18.596 4.158 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.213 17.939 3.853 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -2.773 21.388 6.123 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -1.432 20.253 5.934 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.834 15.424 5.587 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.219 14.082 5.151 1.00 0.00 C ATOM 91 C LYS 1 8 -3.835 13.886 3.697 1.00 0.00 C ATOM 92 O LYS 1 8 -4.534 14.350 2.795 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.722 13.865 5.331 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.110 12.402 5.485 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.614 11.564 4.316 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.494 10.345 4.093 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.612 10.002 2.649 1.00 0.00 N ATOM 0 H LYS 1 8 -4.528 15.895 6.168 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.692 13.351 5.765 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -6.058 14.416 6.209 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.247 14.283 4.472 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.696 12.011 6.415 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -7.194 12.319 5.559 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.597 12.172 3.412 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.589 11.245 4.505 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.081 9.495 4.635 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.486 10.533 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -6.477 8.978 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.555 10.272 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.886 10.516 2.110 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.700 13.229 3.472 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.216 13.019 2.110 1.00 0.00 C ATOM 113 C ILE 1 9 -3.340 12.616 1.173 1.00 0.00 C ATOM 114 O ILE 1 9 -4.184 11.784 1.507 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.078 11.985 2.021 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.438 10.675 2.718 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.193 12.563 2.610 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.443 9.837 1.958 1.00 0.00 C ATOM 0 H ILE 1 9 -2.106 12.838 4.203 1.00 0.00 H new ATOM 0 HA ILE 1 9 -1.812 13.982 1.798 1.00 0.00 H new ATOM 0 HB ILE 1 9 -0.919 11.758 0.967 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.530 10.091 2.866 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.838 10.898 3.707 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.993 11.826 2.543 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.477 13.458 2.056 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.025 12.822 3.655 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.649 8.923 2.514 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.367 10.402 1.833 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.038 9.582 0.979 1.00 0.00 H new ATOM 130 N LEU 1 10 -3.351 13.231 0.003 1.00 0.00 N ATOM 131 CA LEU 1 10 -4.374 12.959 -0.988 1.00 0.00 C ATOM 132 C LEU 1 10 -3.859 12.014 -2.068 1.00 0.00 C ATOM 133 O LEU 1 10 -4.511 11.807 -3.091 1.00 0.00 O ATOM 134 CB LEU 1 10 -4.872 14.275 -1.598 1.00 0.00 C ATOM 135 CG LEU 1 10 -3.788 15.234 -2.115 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -3.265 16.109 -0.985 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -2.645 14.480 -2.781 1.00 0.00 C ATOM 0 H LEU 1 10 -2.660 13.924 -0.283 1.00 0.00 H new ATOM 0 HA LEU 1 10 -5.211 12.463 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -5.543 14.038 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -5.464 14.799 -0.847 1.00 0.00 H new ATOM 0 HG LEU 1 10 -4.245 15.874 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -2.498 16.781 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.085 16.694 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -2.837 15.479 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -1.897 15.190 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -2.189 13.801 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -3.030 13.908 -3.625 1.00 0.00 H new ATOM 149 N GLU 1 11 -2.686 11.443 -1.820 1.00 0.00 N ATOM 150 CA GLU 1 11 -2.063 10.509 -2.756 1.00 0.00 C ATOM 151 C GLU 1 11 -0.664 10.099 -2.292 1.00 0.00 C ATOM 152 O GLU 1 11 0.237 9.925 -3.113 1.00 0.00 O ATOM 153 CB GLU 1 11 -1.969 11.130 -4.152 1.00 0.00 C ATOM 154 CG GLU 1 11 -1.095 12.372 -4.206 1.00 0.00 C ATOM 155 CD GLU 1 11 0.249 12.112 -4.859 1.00 0.00 C ATOM 156 OE1 GLU 1 11 0.312 11.258 -5.768 1.00 0.00 O ATOM 157 OE2 GLU 1 11 1.238 12.764 -4.462 1.00 0.00 O ATOM 0 H GLU 1 11 -2.143 11.611 -0.973 1.00 0.00 H new ATOM 0 HA GLU 1 11 -2.692 9.620 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -1.574 10.387 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -2.971 11.386 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -1.617 13.155 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -0.937 12.745 -3.194 1.00 0.00 H new ATOM 164 N GLN 1 12 -0.476 9.940 -0.983 1.00 0.00 N ATOM 165 CA GLN 1 12 0.829 9.546 -0.457 1.00 0.00 C ATOM 166 C GLN 1 12 0.768 9.158 1.023 1.00 0.00 C ATOM 167 O GLN 1 12 1.400 9.796 1.865 1.00 0.00 O ATOM 168 CB GLN 1 12 1.853 10.671 -0.666 1.00 0.00 C ATOM 169 CG GLN 1 12 1.348 12.054 -0.299 1.00 0.00 C ATOM 170 CD GLN 1 12 1.855 13.128 -1.242 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.100 14.002 -1.668 1.00 0.00 O ATOM 172 NE2 GLN 1 12 3.139 13.065 -1.575 1.00 0.00 N ATOM 0 H GLN 1 12 -1.199 10.076 -0.277 1.00 0.00 H new ATOM 0 HA GLN 1 12 1.143 8.662 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 2.741 10.452 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 2.161 10.676 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 0.258 12.053 -0.307 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 1.659 12.292 0.718 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 3.728 12.323 -1.198 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 3.536 13.759 -2.208 1.00 0.00 H new ATOM 181 N GLY 1 13 0.018 8.099 1.332 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.096 7.634 2.711 1.00 0.00 C ATOM 183 C GLY 1 13 1.258 7.410 3.358 1.00 0.00 C ATOM 184 O GLY 1 13 1.438 7.645 4.552 1.00 0.00 O ATOM 0 H GLY 1 13 -0.513 7.554 0.653 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.658 8.365 3.293 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -0.665 6.704 2.733 1.00 0.00 H new ATOM 188 N GLU 1 14 2.210 6.963 2.552 1.00 0.00 N ATOM 189 CA GLU 1 14 3.573 6.706 3.009 1.00 0.00 C ATOM 190 C GLU 1 14 4.561 7.375 2.069 1.00 0.00 C ATOM 191 O GLU 1 14 5.682 7.704 2.457 1.00 0.00 O ATOM 192 CB GLU 1 14 3.838 5.202 3.084 1.00 0.00 C ATOM 193 CG GLU 1 14 4.086 4.695 4.494 1.00 0.00 C ATOM 194 CD GLU 1 14 4.418 3.216 4.532 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.820 2.453 3.745 1.00 0.00 O ATOM 196 OE2 GLU 1 14 5.274 2.821 5.350 1.00 0.00 O ATOM 0 H GLU 1 14 2.062 6.767 1.562 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.697 7.122 4.009 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.986 4.670 2.661 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.702 4.963 2.464 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.905 5.259 4.940 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.202 4.881 5.104 1.00 0.00 H new ATOM 203 N ASP 1 15 4.122 7.603 0.834 1.00 0.00 N ATOM 204 CA ASP 1 15 4.944 8.268 -0.160 1.00 0.00 C ATOM 205 C ASP 1 15 5.527 9.541 0.442 1.00 0.00 C ATOM 206 O ASP 1 15 6.629 9.965 0.092 1.00 0.00 O ATOM 207 CB ASP 1 15 4.087 8.580 -1.391 1.00 0.00 C ATOM 208 CG ASP 1 15 4.635 9.720 -2.232 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.586 10.878 -1.767 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.114 9.452 -3.354 1.00 0.00 O ATOM 0 H ASP 1 15 3.196 7.334 0.501 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.768 7.624 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.012 7.685 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.076 8.830 -1.068 1.00 0.00 H new ATOM 215 N CYS 1 16 4.775 10.130 1.372 1.00 0.00 N ATOM 216 CA CYS 1 16 5.203 11.338 2.058 1.00 0.00 C ATOM 217 C CYS 1 16 4.067 11.930 2.887 1.00 0.00 C ATOM 218 O CYS 1 16 2.993 12.223 2.371 1.00 0.00 O ATOM 219 CB CYS 1 16 5.740 12.369 1.060 1.00 0.00 C ATOM 220 SG CYS 1 16 5.544 14.113 1.582 1.00 0.00 S ATOM 0 H CYS 1 16 3.862 9.783 1.665 1.00 0.00 H new ATOM 0 HA CYS 1 16 6.011 11.068 2.738 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.798 12.172 0.889 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.232 12.230 0.106 1.00 0.00 H new ATOM 225 N ASP 1 17 4.331 12.105 4.176 1.00 0.00 N ATOM 226 CA ASP 1 17 3.358 12.666 5.110 1.00 0.00 C ATOM 227 C ASP 1 17 2.299 11.636 5.481 1.00 0.00 C ATOM 228 O ASP 1 17 1.228 11.590 4.880 1.00 0.00 O ATOM 229 CB ASP 1 17 2.695 13.919 4.528 1.00 0.00 C ATOM 230 CG ASP 1 17 3.707 14.940 4.046 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.751 15.102 4.713 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.455 15.579 3.003 1.00 0.00 O ATOM 0 H ASP 1 17 5.224 11.863 4.605 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.897 12.949 6.014 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.049 13.632 3.698 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 2.057 14.374 5.286 1.00 0.00 H new ATOM 237 N CYS 1 18 2.612 10.808 6.478 1.00 0.00 N ATOM 238 CA CYS 1 18 1.697 9.766 6.945 1.00 0.00 C ATOM 239 C CYS 1 18 0.245 10.219 6.880 1.00 0.00 C ATOM 240 O CYS 1 18 -0.632 9.463 6.461 1.00 0.00 O ATOM 241 CB CYS 1 18 2.027 9.367 8.388 1.00 0.00 C ATOM 242 SG CYS 1 18 1.067 7.941 8.992 1.00 0.00 S ATOM 0 H CYS 1 18 3.499 10.840 6.981 1.00 0.00 H new ATOM 0 HA CYS 1 18 1.826 8.910 6.283 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.090 9.134 8.457 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.845 10.220 9.042 1.00 0.00 H new ATOM 247 N GLY 1 19 -0.008 11.446 7.321 1.00 0.00 N ATOM 248 CA GLY 1 19 -1.361 11.958 7.328 1.00 0.00 C ATOM 249 C GLY 1 19 -2.134 11.472 8.526 1.00 0.00 C ATOM 250 O GLY 1 19 -3.151 12.056 8.890 1.00 0.00 O ATOM 0 H GLY 1 19 0.699 12.092 7.672 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -1.338 13.048 7.327 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.872 11.650 6.416 1.00 0.00 H new ATOM 254 N SER 1 20 -1.646 10.414 9.161 1.00 0.00 N ATOM 255 CA SER 1 20 -2.294 9.893 10.341 1.00 0.00 C ATOM 256 C SER 1 20 -1.587 10.409 11.581 1.00 0.00 C ATOM 257 O SER 1 20 -0.626 9.806 12.059 1.00 0.00 O ATOM 258 CB SER 1 20 -2.322 8.373 10.339 1.00 0.00 C ATOM 259 OG SER 1 20 -1.849 7.848 9.111 1.00 0.00 O ATOM 0 H SER 1 20 -0.808 9.908 8.875 1.00 0.00 H new ATOM 0 HA SER 1 20 -3.328 10.238 10.343 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -1.709 7.995 11.158 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.340 8.026 10.516 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.882 7.992 9.045 1.00 0.00 H new ATOM 265 N PRO 1 21 -2.044 11.549 12.110 1.00 0.00 N ATOM 266 CA PRO 1 21 -1.443 12.162 13.286 1.00 0.00 C ATOM 267 C PRO 1 21 -1.187 11.155 14.401 1.00 0.00 C ATOM 268 O PRO 1 21 -0.174 11.234 15.096 1.00 0.00 O ATOM 269 CB PRO 1 21 -2.463 13.213 13.730 1.00 0.00 C ATOM 270 CG PRO 1 21 -3.623 13.118 12.786 1.00 0.00 C ATOM 271 CD PRO 1 21 -3.166 12.335 11.589 1.00 0.00 C ATOM 0 HA PRO 1 21 -0.465 12.586 13.056 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -2.784 13.031 14.756 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -2.025 14.211 13.705 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -4.469 12.626 13.266 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -3.958 14.112 12.489 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.959 11.696 11.200 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.855 12.989 10.775 1.00 0.00 H new ATOM 279 N ALA 1 22 -2.100 10.197 14.560 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.947 9.168 15.584 1.00 0.00 C ATOM 281 C ALA 1 22 -0.544 8.574 15.525 1.00 0.00 C ATOM 282 O ALA 1 22 0.007 8.136 16.535 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.996 8.080 15.405 1.00 0.00 C ATOM 0 H ALA 1 22 -2.946 10.113 13.997 1.00 0.00 H new ATOM 0 HA ALA 1 22 -2.091 9.624 16.563 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.868 7.321 16.176 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.991 8.517 15.488 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.881 7.622 14.423 1.00 0.00 H new ATOM 289 N ASN 1 23 0.028 8.586 14.325 1.00 0.00 N ATOM 290 CA ASN 1 23 1.370 8.077 14.099 1.00 0.00 C ATOM 291 C ASN 1 23 2.147 9.045 13.213 1.00 0.00 C ATOM 292 O ASN 1 23 2.741 8.648 12.210 1.00 0.00 O ATOM 293 CB ASN 1 23 1.312 6.694 13.447 1.00 0.00 C ATOM 294 CG ASN 1 23 1.066 5.589 14.455 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.736 5.850 15.612 1.00 0.00 O ATOM 296 ND2 ASN 1 23 1.227 4.344 14.020 1.00 0.00 N ATOM 0 H ASN 1 23 -0.426 8.948 13.487 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.879 7.986 15.058 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.520 6.682 12.698 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.249 6.503 12.924 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.076 3.559 14.653 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 1.501 4.173 13.053 1.00 0.00 H new ATOM 303 N CYS 1 24 2.129 10.326 13.589 1.00 0.00 N ATOM 304 CA CYS 1 24 2.821 11.367 12.829 1.00 0.00 C ATOM 305 C CYS 1 24 4.231 10.926 12.438 1.00 0.00 C ATOM 306 O CYS 1 24 4.781 11.381 11.435 1.00 0.00 O ATOM 307 CB CYS 1 24 2.883 12.668 13.638 1.00 0.00 C ATOM 308 SG CYS 1 24 3.781 14.024 12.808 1.00 0.00 S ATOM 0 H CYS 1 24 1.641 10.667 14.417 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.255 11.542 11.914 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 1.867 12.998 13.852 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.361 12.464 14.596 1.00 0.00 H new ATOM 313 N GLN 1 25 4.807 10.034 13.236 1.00 0.00 N ATOM 314 CA GLN 1 25 6.148 9.523 12.979 1.00 0.00 C ATOM 315 C GLN 1 25 6.392 8.242 13.769 1.00 0.00 C ATOM 316 O GLN 1 25 7.518 7.955 14.176 1.00 0.00 O ATOM 317 CB GLN 1 25 7.198 10.573 13.347 1.00 0.00 C ATOM 318 CG GLN 1 25 6.924 11.273 14.668 1.00 0.00 C ATOM 319 CD GLN 1 25 8.183 11.821 15.310 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.296 11.486 14.906 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.012 12.671 16.317 1.00 0.00 N ATOM 0 H GLN 1 25 4.364 9.648 14.070 1.00 0.00 H new ATOM 0 HA GLN 1 25 6.232 9.299 11.915 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.176 10.095 13.395 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 7.247 11.319 12.554 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 6.220 12.089 14.503 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 6.446 10.573 15.353 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 7.070 12.921 16.619 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 8.822 13.074 16.788 1.00 0.00 H new ATOM 330 N ASP 1 26 5.326 7.477 13.984 1.00 0.00 N ATOM 331 CA ASP 1 26 5.417 6.226 14.728 1.00 0.00 C ATOM 332 C ASP 1 26 6.237 5.192 13.964 1.00 0.00 C ATOM 333 O ASP 1 26 7.356 4.862 14.356 1.00 0.00 O ATOM 334 CB ASP 1 26 4.019 5.676 15.015 1.00 0.00 C ATOM 335 CG ASP 1 26 4.054 4.421 15.864 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.137 4.545 17.104 1.00 0.00 O ATOM 337 OD2 ASP 1 26 3.997 3.313 15.289 1.00 0.00 O ATOM 0 H ASP 1 26 4.388 7.702 13.653 1.00 0.00 H new ATOM 0 HA ASP 1 26 5.920 6.432 15.673 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.429 6.439 15.523 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.516 5.460 14.072 1.00 0.00 H new ATOM 342 N ARG 1 27 5.674 4.681 12.873 1.00 0.00 N ATOM 343 CA ARG 1 27 6.360 3.683 12.062 1.00 0.00 C ATOM 344 C ARG 1 27 5.766 3.604 10.660 1.00 0.00 C ATOM 345 O ARG 1 27 4.630 4.020 10.429 1.00 0.00 O ATOM 346 CB ARG 1 27 6.285 2.308 12.737 1.00 0.00 C ATOM 347 CG ARG 1 27 4.928 1.627 12.604 1.00 0.00 C ATOM 348 CD ARG 1 27 4.608 0.773 13.821 1.00 0.00 C ATOM 349 NE ARG 1 27 4.650 -0.654 13.514 1.00 0.00 N ATOM 350 CZ ARG 1 27 5.773 -1.364 13.435 1.00 0.00 C ATOM 351 NH1 ARG 1 27 6.949 -0.784 13.638 1.00 0.00 N ATOM 352 NH2 ARG 1 27 5.720 -2.658 13.151 1.00 0.00 N ATOM 0 H ARG 1 27 4.748 4.941 12.532 1.00 0.00 H new ATOM 0 HA ARG 1 27 7.403 3.986 11.974 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 7.049 1.661 12.306 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 6.522 2.420 13.795 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 4.153 2.382 12.475 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 4.919 1.004 11.709 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 5.320 0.994 14.616 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 3.619 1.034 14.197 1.00 0.00 H new ATOM 0 HE ARG 1 27 3.766 -1.135 13.350 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 6.996 0.211 13.856 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 7.806 -1.333 13.576 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 4.819 -3.109 12.993 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 6.580 -3.202 13.090 1.00 0.00 H new ATOM 366 N CYS 1 28 6.543 3.050 9.734 1.00 0.00 N ATOM 367 CA CYS 1 28 6.113 2.886 8.348 1.00 0.00 C ATOM 368 C CYS 1 28 5.947 4.226 7.631 1.00 0.00 C ATOM 369 O CYS 1 28 6.612 4.484 6.628 1.00 0.00 O ATOM 370 CB CYS 1 28 4.806 2.092 8.289 1.00 0.00 C ATOM 371 SG CYS 1 28 5.046 0.300 8.070 1.00 0.00 S ATOM 0 H CYS 1 28 7.484 2.703 9.921 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.897 2.334 7.830 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.245 2.265 9.207 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 4.198 2.471 7.468 1.00 0.00 H new ATOM 376 N CYS 1 29 5.047 5.066 8.131 1.00 0.00 N ATOM 377 CA CYS 1 29 4.790 6.363 7.511 1.00 0.00 C ATOM 378 C CYS 1 29 5.436 7.506 8.280 1.00 0.00 C ATOM 379 O CYS 1 29 5.487 7.502 9.510 1.00 0.00 O ATOM 380 CB CYS 1 29 3.285 6.601 7.407 1.00 0.00 C ATOM 381 SG CYS 1 29 2.399 6.410 8.987 1.00 0.00 S ATOM 0 H CYS 1 29 4.485 4.874 8.960 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.234 6.341 6.516 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.111 7.606 7.023 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.866 5.905 6.680 1.00 0.00 H new ATOM 386 N ASN 1 30 5.916 8.493 7.530 1.00 0.00 N ATOM 387 CA ASN 1 30 6.550 9.664 8.108 1.00 0.00 C ATOM 388 C ASN 1 30 5.712 10.901 7.860 1.00 0.00 C ATOM 389 O ASN 1 30 5.819 11.547 6.817 1.00 0.00 O ATOM 390 CB ASN 1 30 7.949 9.861 7.530 1.00 0.00 C ATOM 391 CG ASN 1 30 8.994 9.019 8.234 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.888 8.460 7.599 1.00 0.00 O ATOM 393 ND2 ASN 1 30 8.887 8.925 9.554 1.00 0.00 N ATOM 0 H ASN 1 30 5.875 8.500 6.511 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.634 9.505 9.183 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.939 9.609 6.470 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.224 10.913 7.605 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.562 8.372 10.082 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 8.130 9.405 10.040 1.00 0.00 H new ATOM 400 N ALA 1 31 4.900 11.237 8.846 1.00 0.00 N ATOM 401 CA ALA 1 31 4.058 12.419 8.771 1.00 0.00 C ATOM 402 C ALA 1 31 4.901 13.637 9.101 1.00 0.00 C ATOM 403 O ALA 1 31 4.606 14.756 8.683 1.00 0.00 O ATOM 404 CB ALA 1 31 2.863 12.296 9.714 1.00 0.00 C ATOM 0 H ALA 1 31 4.805 10.706 9.712 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.657 12.523 7.763 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.248 13.193 9.640 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.269 11.425 9.437 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.218 12.183 10.738 1.00 0.00 H new ATOM 410 N ALA 1 32 5.980 13.389 9.839 1.00 0.00 N ATOM 411 CA ALA 1 32 6.911 14.438 10.221 1.00 0.00 C ATOM 412 C ALA 1 32 8.176 14.379 9.370 1.00 0.00 C ATOM 413 O ALA 1 32 9.130 15.118 9.614 1.00 0.00 O ATOM 414 CB ALA 1 32 7.268 14.309 11.693 1.00 0.00 C ATOM 0 H ALA 1 32 6.229 12.462 10.185 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.429 15.401 10.053 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.966 15.100 11.969 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.364 14.397 12.296 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 7.730 13.338 11.872 1.00 0.00 H new ATOM 420 N THR 1 33 8.196 13.479 8.385 1.00 0.00 N ATOM 421 CA THR 1 33 9.368 13.322 7.533 1.00 0.00 C ATOM 422 C THR 1 33 9.005 13.251 6.049 1.00 0.00 C ATOM 423 O THR 1 33 9.867 13.002 5.206 1.00 0.00 O ATOM 424 CB THR 1 33 10.141 12.074 7.958 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.560 11.495 9.116 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.583 12.352 8.278 1.00 0.00 C ATOM 0 H THR 1 33 7.421 12.855 8.162 1.00 0.00 H new ATOM 0 HA THR 1 33 9.994 14.205 7.659 1.00 0.00 H new ATOM 0 HB THR 1 33 10.091 11.399 7.104 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.269 11.185 9.718 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.075 11.425 8.573 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.078 12.762 7.398 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.642 13.070 9.096 1.00 0.00 H new ATOM 434 N CYS 1 34 7.736 13.488 5.730 1.00 0.00 N ATOM 435 CA CYS 1 34 7.276 13.470 4.343 1.00 0.00 C ATOM 436 C CYS 1 34 7.790 12.242 3.583 1.00 0.00 C ATOM 437 O CYS 1 34 8.348 12.368 2.495 1.00 0.00 O ATOM 438 CB CYS 1 34 7.718 14.760 3.633 1.00 0.00 C ATOM 439 SG CYS 1 34 7.442 14.794 1.824 1.00 0.00 S ATOM 0 H CYS 1 34 7.007 13.695 6.413 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.188 13.412 4.353 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.188 15.601 4.080 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.780 14.915 3.824 1.00 0.00 H new ATOM 444 N LYS 1 35 7.597 11.047 4.140 1.00 0.00 N ATOM 445 CA LYS 1 35 8.051 9.839 3.451 1.00 0.00 C ATOM 446 C LYS 1 35 7.641 8.555 4.161 1.00 0.00 C ATOM 447 O LYS 1 35 7.000 8.572 5.208 1.00 0.00 O ATOM 448 CB LYS 1 35 9.567 9.858 3.300 1.00 0.00 C ATOM 449 CG LYS 1 35 10.039 9.634 1.873 1.00 0.00 C ATOM 450 CD LYS 1 35 10.271 10.949 1.149 1.00 0.00 C ATOM 451 CE LYS 1 35 11.549 10.914 0.331 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.774 12.188 -0.405 1.00 0.00 N ATOM 0 H LYS 1 35 7.143 10.890 5.040 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.567 9.844 2.474 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.947 10.817 3.653 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.997 9.089 3.941 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.962 9.054 1.881 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.298 9.046 1.332 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.425 11.160 0.495 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 10.324 11.761 1.874 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 12.396 10.721 0.989 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.503 10.088 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.657 12.122 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.979 12.360 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.844 12.973 0.273 1.00 0.00 H new ATOM 466 N LEU 1 36 8.049 7.440 3.567 1.00 0.00 N ATOM 467 CA LEU 1 36 7.775 6.119 4.121 1.00 0.00 C ATOM 468 C LEU 1 36 9.028 5.597 4.824 1.00 0.00 C ATOM 469 O LEU 1 36 10.053 5.349 4.190 1.00 0.00 O ATOM 470 CB LEU 1 36 7.316 5.148 3.022 1.00 0.00 C ATOM 471 CG LEU 1 36 8.426 4.537 2.158 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.840 3.557 1.151 1.00 0.00 C ATOM 473 CD2 LEU 1 36 9.212 5.628 1.447 1.00 0.00 C ATOM 0 H LEU 1 36 8.576 7.425 2.694 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.965 6.196 4.847 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.760 4.336 3.491 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.621 5.674 2.367 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.109 3.993 2.810 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.642 3.133 0.547 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 7.323 2.757 1.681 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.135 4.078 0.504 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.995 5.175 0.839 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 8.541 6.201 0.807 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 9.664 6.291 2.185 1.00 0.00 H new ATOM 485 N THR 1 37 8.951 5.470 6.142 1.00 0.00 N ATOM 486 CA THR 1 37 10.087 5.017 6.940 1.00 0.00 C ATOM 487 C THR 1 37 10.683 3.714 6.420 1.00 0.00 C ATOM 488 O THR 1 37 10.015 2.929 5.746 1.00 0.00 O ATOM 489 CB THR 1 37 9.675 4.837 8.396 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.541 4.000 8.496 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.349 6.139 9.081 1.00 0.00 C ATOM 0 H THR 1 37 8.112 5.675 6.684 1.00 0.00 H new ATOM 0 HA THR 1 37 10.853 5.789 6.861 1.00 0.00 H new ATOM 0 HB THR 1 37 10.536 4.388 8.891 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.823 3.062 8.470 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.063 5.945 10.115 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.224 6.789 9.063 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.524 6.627 8.562 1.00 0.00 H new ATOM 499 N PRO 1 38 11.964 3.472 6.751 1.00 0.00 N ATOM 500 CA PRO 1 38 12.686 2.263 6.346 1.00 0.00 C ATOM 501 C PRO 1 38 11.856 0.995 6.512 1.00 0.00 C ATOM 502 O PRO 1 38 11.026 0.896 7.415 1.00 0.00 O ATOM 503 CB PRO 1 38 13.870 2.251 7.309 1.00 0.00 C ATOM 504 CG PRO 1 38 14.155 3.689 7.551 1.00 0.00 C ATOM 505 CD PRO 1 38 12.813 4.369 7.564 1.00 0.00 C ATOM 0 HA PRO 1 38 12.958 2.278 5.290 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.625 1.732 8.236 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.731 1.741 6.876 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.676 3.832 8.498 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.795 4.099 6.770 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.427 4.477 8.578 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.866 5.370 7.135 1.00 0.00 H new ATOM 513 N GLY 1 39 12.089 0.028 5.632 1.00 0.00 N ATOM 514 CA GLY 1 39 11.359 -1.225 5.694 1.00 0.00 C ATOM 515 C GLY 1 39 10.099 -1.208 4.850 1.00 0.00 C ATOM 516 O GLY 1 39 9.603 -2.259 4.443 1.00 0.00 O ATOM 0 H GLY 1 39 12.771 0.089 4.876 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.006 -2.035 5.358 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.095 -1.437 6.730 1.00 0.00 H new ATOM 520 N SER 1 40 9.579 -0.013 4.587 1.00 0.00 N ATOM 521 CA SER 1 40 8.371 0.135 3.787 1.00 0.00 C ATOM 522 C SER 1 40 8.661 -0.105 2.310 1.00 0.00 C ATOM 523 O SER 1 40 9.247 0.744 1.637 1.00 0.00 O ATOM 524 CB SER 1 40 7.779 1.533 3.981 1.00 0.00 C ATOM 525 OG SER 1 40 6.438 1.589 3.525 1.00 0.00 O ATOM 0 H SER 1 40 9.977 0.866 4.917 1.00 0.00 H new ATOM 0 HA SER 1 40 7.650 -0.611 4.121 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.819 1.805 5.036 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.381 2.264 3.441 1.00 0.00 H new ATOM 0 HG SER 1 40 5.833 1.341 4.256 1.00 0.00 H new ATOM 531 N GLN 1 41 8.244 -1.262 1.808 1.00 0.00 N ATOM 532 CA GLN 1 41 8.457 -1.605 0.406 1.00 0.00 C ATOM 533 C GLN 1 41 7.531 -0.790 -0.486 1.00 0.00 C ATOM 534 O GLN 1 41 7.870 -0.466 -1.624 1.00 0.00 O ATOM 535 CB GLN 1 41 8.218 -3.099 0.177 1.00 0.00 C ATOM 536 CG GLN 1 41 9.191 -3.993 0.928 1.00 0.00 C ATOM 537 CD GLN 1 41 9.669 -5.165 0.093 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.624 -6.314 0.532 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.132 -4.879 -1.119 1.00 0.00 N ATOM 0 H GLN 1 41 7.758 -1.977 2.349 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.490 -1.371 0.150 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.201 -3.347 0.481 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 8.292 -3.311 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.051 -3.403 1.245 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.711 -4.368 1.832 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.151 -3.912 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.468 -5.627 -1.726 1.00 0.00 H new ATOM 548 N CYS 1 42 6.359 -0.460 0.043 1.00 0.00 N ATOM 549 CA CYS 1 42 5.377 0.319 -0.695 1.00 0.00 C ATOM 550 C CYS 1 42 4.552 1.177 0.252 1.00 0.00 C ATOM 551 O CYS 1 42 4.174 0.735 1.337 1.00 0.00 O ATOM 552 CB CYS 1 42 4.460 -0.602 -1.497 1.00 0.00 C ATOM 553 SG CYS 1 42 3.215 0.279 -2.489 1.00 0.00 S ATOM 0 H CYS 1 42 6.066 -0.722 0.984 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.910 0.974 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 5.069 -1.218 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.951 -1.279 -0.811 1.00 0.00 H new ATOM 558 N ASN 1 43 4.276 2.405 -0.163 1.00 0.00 N ATOM 559 CA ASN 1 43 3.496 3.324 0.653 1.00 0.00 C ATOM 560 C ASN 1 43 2.027 2.920 0.666 1.00 0.00 C ATOM 561 O ASN 1 43 1.349 3.031 1.687 1.00 0.00 O ATOM 562 CB ASN 1 43 3.641 4.755 0.131 1.00 0.00 C ATOM 563 CG ASN 1 43 3.400 4.853 -1.363 1.00 0.00 C ATOM 564 OD1 ASN 1 43 4.013 4.134 -2.151 1.00 0.00 O ATOM 565 ND2 ASN 1 43 2.503 5.749 -1.760 1.00 0.00 N ATOM 0 H ASN 1 43 4.580 2.787 -1.058 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.877 3.280 1.673 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.936 5.402 0.653 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.641 5.123 0.360 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.299 5.861 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 2.018 6.325 -1.072 1.00 0.00 H new ATOM 572 N TYR 1 44 1.547 2.445 -0.476 1.00 0.00 N ATOM 573 CA TYR 1 44 0.161 2.014 -0.606 1.00 0.00 C ATOM 574 C TYR 1 44 -0.095 1.451 -1.999 1.00 0.00 C ATOM 575 O TYR 1 44 0.688 1.676 -2.922 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.796 3.177 -0.318 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.869 4.204 -1.428 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.500 3.911 -2.631 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.306 5.464 -1.272 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.567 4.843 -3.646 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.370 6.403 -2.282 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.001 6.088 -3.468 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.067 7.021 -4.478 1.00 0.00 O ATOM 0 H TYR 1 44 2.099 2.348 -1.328 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.022 1.227 0.126 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.794 2.777 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.483 3.672 0.601 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.945 2.938 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.190 5.713 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.060 4.599 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.071 7.379 -2.145 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.621 7.845 -4.191 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.194 0.722 -2.147 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.527 0.141 -3.432 1.00 0.00 C ATOM 595 C GLY 1 45 -2.106 -1.254 -3.305 1.00 0.00 C ATOM 596 O GLY 1 45 -2.314 -1.750 -2.197 1.00 0.00 O ATOM 0 H GLY 1 45 -1.860 0.523 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.244 0.784 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.632 0.105 -4.054 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.367 -1.887 -4.442 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.929 -3.233 -4.457 1.00 0.00 C ATOM 602 C GLU 1 46 -2.032 -4.215 -3.711 1.00 0.00 C ATOM 603 O GLU 1 46 -2.507 -5.024 -2.913 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.122 -3.705 -5.897 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.338 -3.099 -6.580 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.346 -1.584 -6.521 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.784 -1.033 -5.489 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.915 -0.949 -7.506 1.00 0.00 O ATOM 0 H GLU 1 46 -2.199 -1.490 -5.366 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.894 -3.199 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.231 -3.457 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.215 -4.791 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.362 -3.418 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.243 -3.482 -6.109 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.736 -4.145 -3.985 1.00 0.00 N ATOM 616 CA CYS 1 47 0.233 -5.031 -3.351 1.00 0.00 C ATOM 617 C CYS 1 47 0.989 -4.318 -2.239 1.00 0.00 C ATOM 618 O CYS 1 47 2.178 -4.553 -2.048 1.00 0.00 O ATOM 619 CB CYS 1 47 1.231 -5.539 -4.390 1.00 0.00 C ATOM 620 SG CYS 1 47 0.624 -6.929 -5.390 1.00 0.00 S ATOM 0 H CYS 1 47 -0.330 -3.481 -4.645 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.314 -5.869 -2.918 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.496 -4.717 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.145 -5.845 -3.880 1.00 0.00 H new ATOM 625 N CYS 1 48 0.313 -3.437 -1.515 1.00 0.00 N ATOM 626 CA CYS 1 48 0.966 -2.696 -0.444 1.00 0.00 C ATOM 627 C CYS 1 48 0.187 -2.787 0.862 1.00 0.00 C ATOM 628 O CYS 1 48 -0.949 -2.321 0.957 1.00 0.00 O ATOM 629 CB CYS 1 48 1.147 -1.237 -0.861 1.00 0.00 C ATOM 630 SG CYS 1 48 1.673 -1.034 -2.596 1.00 0.00 S ATOM 0 H CYS 1 48 -0.675 -3.219 -1.646 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.944 -3.145 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.207 -0.705 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.885 -0.770 -0.209 1.00 0.00 H new ATOM 635 N ASP 1 49 0.814 -3.391 1.867 1.00 0.00 N ATOM 636 CA ASP 1 49 0.195 -3.548 3.177 1.00 0.00 C ATOM 637 C ASP 1 49 1.225 -3.359 4.286 1.00 0.00 C ATOM 638 O ASP 1 49 2.262 -4.022 4.302 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.455 -4.928 3.296 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.651 -4.925 4.228 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.527 -4.050 4.066 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.712 -5.799 5.118 1.00 0.00 O ATOM 0 H ASP 1 49 1.754 -3.781 1.798 1.00 0.00 H new ATOM 0 HA ASP 1 49 -0.575 -2.784 3.284 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.768 -5.265 2.308 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.283 -5.644 3.658 1.00 0.00 H new ATOM 647 N GLN 1 50 0.933 -2.447 5.208 1.00 0.00 N ATOM 648 CA GLN 1 50 1.833 -2.164 6.321 1.00 0.00 C ATOM 649 C GLN 1 50 3.155 -1.590 5.820 1.00 0.00 C ATOM 650 O GLN 1 50 3.359 -0.377 5.844 1.00 0.00 O ATOM 651 CB GLN 1 50 2.081 -3.433 7.145 1.00 0.00 C ATOM 652 CG GLN 1 50 3.056 -3.234 8.294 1.00 0.00 C ATOM 653 CD GLN 1 50 3.176 -4.461 9.176 1.00 0.00 C ATOM 654 OE1 GLN 1 50 2.213 -5.206 9.358 1.00 0.00 O ATOM 655 NE2 GLN 1 50 4.364 -4.679 9.729 1.00 0.00 N ATOM 0 H GLN 1 50 0.078 -1.890 5.206 1.00 0.00 H new ATOM 0 HA GLN 1 50 1.358 -1.419 6.960 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.131 -3.788 7.544 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.463 -4.214 6.487 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 4.038 -2.982 7.893 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 2.731 -2.387 8.898 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 5.135 -4.035 9.551 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 4.505 -5.490 10.331 1.00 0.00 H new ATOM 664 N CYS 1 51 4.049 -2.462 5.367 1.00 0.00 N ATOM 665 CA CYS 1 51 5.349 -2.026 4.867 1.00 0.00 C ATOM 666 C CYS 1 51 6.030 -3.126 4.055 1.00 0.00 C ATOM 667 O CYS 1 51 7.246 -3.305 4.132 1.00 0.00 O ATOM 668 CB CYS 1 51 6.246 -1.607 6.034 1.00 0.00 C ATOM 669 SG CYS 1 51 6.198 0.175 6.404 1.00 0.00 S ATOM 0 H CYS 1 51 3.899 -3.470 5.335 1.00 0.00 H new ATOM 0 HA CYS 1 51 5.187 -1.172 4.210 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.948 -2.160 6.925 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 7.274 -1.893 5.810 1.00 0.00 H new ATOM 674 N ARG 1 52 5.243 -3.859 3.276 1.00 0.00 N ATOM 675 CA ARG 1 52 5.778 -4.937 2.451 1.00 0.00 C ATOM 676 C ARG 1 52 4.808 -5.298 1.331 1.00 0.00 C ATOM 677 O ARG 1 52 3.608 -5.040 1.431 1.00 0.00 O ATOM 678 CB ARG 1 52 6.065 -6.169 3.310 1.00 0.00 C ATOM 679 CG ARG 1 52 7.333 -6.908 2.909 1.00 0.00 C ATOM 680 CD ARG 1 52 8.428 -6.752 3.953 1.00 0.00 C ATOM 681 NE ARG 1 52 9.705 -6.373 3.354 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.881 -6.515 3.961 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.946 -7.026 5.184 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.995 -6.144 3.345 1.00 0.00 N ATOM 0 H ARG 1 52 4.235 -3.727 3.198 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.709 -4.590 2.002 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 6.147 -5.863 4.353 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.219 -6.853 3.244 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.110 -7.966 2.771 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.687 -6.529 1.950 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 8.130 -5.997 4.680 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.547 -7.689 4.497 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.695 -5.976 2.415 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 10.092 -7.312 5.663 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.850 -7.133 5.645 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.951 -5.749 2.405 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 12.896 -6.253 3.811 1.00 0.00 H new ATOM 698 N PHE 1 53 5.333 -5.898 0.266 1.00 0.00 N ATOM 699 CA PHE 1 53 4.502 -6.294 -0.864 1.00 0.00 C ATOM 700 C PHE 1 53 3.627 -7.480 -0.494 1.00 0.00 C ATOM 701 O PHE 1 53 4.080 -8.419 0.161 1.00 0.00 O ATOM 702 CB PHE 1 53 5.362 -6.641 -2.083 1.00 0.00 C ATOM 703 CG PHE 1 53 5.931 -5.438 -2.778 1.00 0.00 C ATOM 704 CD1 PHE 1 53 5.156 -4.308 -2.973 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.239 -5.436 -3.236 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.668 -3.200 -3.610 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.759 -4.327 -3.876 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.972 -3.207 -4.064 1.00 0.00 C ATOM 0 H PHE 1 53 6.323 -6.119 0.163 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.863 -5.449 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 6.180 -7.289 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.760 -7.209 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 4.135 -4.295 -2.621 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.858 -6.309 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 5.050 -2.326 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.780 -4.336 -4.229 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.376 -2.339 -4.565 1.00 0.00 H new ATOM 718 N LYS 1 54 2.370 -7.436 -0.919 1.00 0.00 N ATOM 719 CA LYS 1 54 1.435 -8.517 -0.629 1.00 0.00 C ATOM 720 C LYS 1 54 1.973 -9.842 -1.155 1.00 0.00 C ATOM 721 O LYS 1 54 1.743 -10.199 -2.306 1.00 0.00 O ATOM 722 CB LYS 1 54 0.068 -8.222 -1.249 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.714 -7.147 -0.512 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.116 -7.605 0.880 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.443 -6.998 1.306 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.579 -7.934 1.084 1.00 0.00 N ATOM 0 H LYS 1 54 1.976 -6.668 -1.463 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.320 -8.590 0.452 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.207 -7.913 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.520 -9.140 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.110 -6.243 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.606 -6.889 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.190 -8.692 0.899 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -0.341 -7.325 1.594 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.396 -6.728 2.361 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.617 -6.078 0.748 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.417 -7.590 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.791 -7.988 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -3.324 -8.879 1.435 1.00 0.00 H new ATOM 740 N LYS 1 55 2.700 -10.559 -0.299 1.00 0.00 N ATOM 741 CA LYS 1 55 3.294 -11.851 -0.660 1.00 0.00 C ATOM 742 C LYS 1 55 2.542 -12.525 -1.807 1.00 0.00 C ATOM 743 O LYS 1 55 1.318 -12.679 -1.755 1.00 0.00 O ATOM 744 CB LYS 1 55 3.317 -12.778 0.557 1.00 0.00 C ATOM 745 CG LYS 1 55 3.991 -14.114 0.291 1.00 0.00 C ATOM 746 CD LYS 1 55 5.455 -14.091 0.701 1.00 0.00 C ATOM 747 CE LYS 1 55 6.319 -14.871 -0.276 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.850 -14.002 -1.363 1.00 0.00 N ATOM 0 H LYS 1 55 2.894 -10.266 0.658 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.313 -11.659 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.833 -12.277 1.376 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.294 -12.956 0.887 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.471 -14.900 0.838 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.913 -14.358 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.803 -13.059 0.753 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.561 -14.514 1.700 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 7.149 -15.330 0.260 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.734 -15.681 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.434 -14.571 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 6.058 -13.583 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.429 -13.244 -0.950 1.00 0.00 H new ATOM 762 N ALA 1 56 3.280 -12.914 -2.848 1.00 0.00 N ATOM 763 CA ALA 1 56 2.683 -13.563 -4.010 1.00 0.00 C ATOM 764 C ALA 1 56 1.616 -14.561 -3.586 1.00 0.00 C ATOM 765 O ALA 1 56 1.856 -15.420 -2.737 1.00 0.00 O ATOM 766 CB ALA 1 56 3.741 -14.261 -4.844 1.00 0.00 C ATOM 0 H ALA 1 56 4.291 -12.790 -2.908 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.215 -12.788 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.271 -14.737 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.473 -13.531 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.241 -15.018 -4.239 1.00 0.00 H new ATOM 772 N GLY 1 57 0.436 -14.427 -4.164 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.657 -15.311 -3.814 1.00 0.00 C ATOM 774 C GLY 1 57 -1.797 -14.558 -3.163 1.00 0.00 C ATOM 775 O GLY 1 57 -2.886 -15.102 -2.979 1.00 0.00 O ATOM 0 H GLY 1 57 0.213 -13.724 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.018 -15.816 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.297 -16.085 -3.136 1.00 0.00 H new ATOM 779 N THR 1 58 -1.549 -13.295 -2.826 1.00 0.00 N ATOM 780 CA THR 1 58 -2.562 -12.453 -2.209 1.00 0.00 C ATOM 781 C THR 1 58 -3.511 -11.897 -3.267 1.00 0.00 C ATOM 782 O THR 1 58 -3.148 -10.993 -4.020 1.00 0.00 O ATOM 783 CB THR 1 58 -1.896 -11.301 -1.457 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.045 -11.791 -0.436 1.00 0.00 O ATOM 785 CG2 THR 1 58 -2.886 -10.356 -0.816 1.00 0.00 C ATOM 0 H THR 1 58 -0.651 -12.834 -2.972 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.135 -13.058 -1.507 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.330 -10.753 -2.211 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.210 -12.115 -0.834 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.348 -9.562 -0.299 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.524 -9.921 -1.585 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.501 -10.903 -0.101 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.726 -12.435 -3.325 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.708 -11.973 -4.300 1.00 0.00 C ATOM 795 C VAL 1 59 -6.089 -10.521 -4.037 1.00 0.00 C ATOM 796 O VAL 1 59 -6.650 -10.199 -2.989 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.989 -12.834 -4.289 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.650 -12.796 -2.919 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.958 -12.369 -5.369 1.00 0.00 C ATOM 0 H VAL 1 59 -5.052 -13.184 -2.714 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.238 -12.063 -5.279 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.710 -13.866 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.551 -13.409 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.959 -13.183 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.914 -11.768 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.854 -12.989 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.231 -11.329 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.483 -12.456 -6.346 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.788 -9.649 -4.991 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.110 -8.233 -4.849 1.00 0.00 C ATOM 811 C CYS 1 60 -7.305 -7.853 -5.717 1.00 0.00 C ATOM 812 O CYS 1 60 -7.990 -6.866 -5.449 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.912 -7.359 -5.228 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.304 -8.008 -4.679 1.00 0.00 S ATOM 0 H CYS 1 60 -5.325 -9.894 -5.866 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.362 -8.061 -3.803 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.892 -7.242 -6.311 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.054 -6.366 -4.802 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.541 -8.632 -6.768 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.643 -8.364 -7.685 1.00 0.00 C ATOM 821 C ARG 1 61 -9.133 -9.643 -8.357 1.00 0.00 C ATOM 822 O ARG 1 61 -8.642 -10.737 -8.081 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.213 -7.354 -8.754 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.310 -6.252 -8.227 1.00 0.00 C ATOM 825 CD ARG 1 61 -6.982 -5.228 -9.303 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.171 -5.797 -10.378 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.350 -5.084 -11.148 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.224 -3.775 -10.966 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.656 -5.682 -12.107 1.00 0.00 N ATOM 0 H ARG 1 61 -6.984 -9.453 -7.006 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.463 -7.948 -7.101 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.696 -7.884 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.103 -6.903 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -7.796 -5.754 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.386 -6.689 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -7.908 -4.832 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.450 -4.389 -8.854 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.238 -6.800 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -5.758 -3.308 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.593 -3.236 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.751 -6.687 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.027 -5.137 -12.697 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.102 -9.484 -9.247 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.672 -10.602 -9.984 1.00 0.00 C ATOM 845 C ILE 1 62 -11.684 -10.091 -10.996 1.00 0.00 C ATOM 846 O ILE 1 62 -12.516 -9.239 -10.684 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.348 -11.626 -9.051 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -12.113 -12.684 -9.856 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.286 -10.917 -8.092 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -11.254 -13.441 -10.845 1.00 0.00 C ATOM 0 H ILE 1 62 -10.514 -8.580 -9.478 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.853 -11.108 -10.496 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.570 -12.133 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.566 -13.395 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.927 -12.199 -10.394 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.759 -11.649 -7.437 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.721 -10.204 -7.491 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.053 -10.388 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.866 -14.170 -11.375 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.821 -12.742 -11.561 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.455 -13.957 -10.313 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.600 -10.607 -12.210 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.502 -10.192 -13.275 1.00 0.00 C ATOM 864 C ALA 1 63 -13.968 -10.337 -12.848 1.00 0.00 C ATOM 865 O ALA 1 63 -14.505 -9.455 -12.178 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.200 -10.956 -14.557 1.00 0.00 C ATOM 0 H ALA 1 63 -10.918 -11.314 -12.485 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.336 -9.134 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.883 -10.633 -15.342 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.173 -10.758 -14.865 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.327 -12.024 -14.382 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.614 -11.441 -13.219 1.00 0.00 N ATOM 873 CA ARG 1 64 -16.010 -11.658 -12.844 1.00 0.00 C ATOM 874 C ARG 1 64 -16.274 -13.123 -12.511 1.00 0.00 C ATOM 875 O ARG 1 64 -16.708 -13.892 -13.365 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.938 -11.207 -13.973 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.329 -9.740 -13.890 1.00 0.00 C ATOM 878 CD ARG 1 64 -18.178 -9.459 -12.661 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.222 -8.473 -12.930 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.959 -7.897 -11.984 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.772 -8.205 -10.707 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.887 -7.009 -12.316 1.00 0.00 N ATOM 0 H ARG 1 64 -14.199 -12.191 -13.772 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.211 -11.064 -11.952 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.449 -11.390 -14.930 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.841 -11.817 -13.955 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -16.430 -9.124 -13.861 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.881 -9.458 -14.787 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.636 -10.387 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.540 -9.100 -11.854 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.396 -8.211 -13.900 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -19.060 -8.887 -10.446 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.340 -7.760 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.035 -6.768 -13.296 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.452 -6.567 -11.591 1.00 0.00 H new ATOM 896 N GLY 1 65 -16.025 -13.504 -11.265 1.00 0.00 N ATOM 897 CA GLY 1 65 -16.251 -14.877 -10.860 1.00 0.00 C ATOM 898 C GLY 1 65 -15.027 -15.496 -10.223 1.00 0.00 C ATOM 899 O GLY 1 65 -14.702 -15.205 -9.072 1.00 0.00 O ATOM 0 H GLY 1 65 -15.672 -12.890 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -17.082 -14.914 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.543 -15.467 -11.729 1.00 0.00 H new ATOM 903 N ASP 1 66 -14.342 -16.347 -10.977 1.00 0.00 N ATOM 904 CA ASP 1 66 -13.140 -17.004 -10.483 1.00 0.00 C ATOM 905 C ASP 1 66 -12.563 -17.960 -11.522 1.00 0.00 C ATOM 906 O ASP 1 66 -12.919 -19.138 -11.567 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.432 -17.757 -9.184 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.652 -18.651 -9.296 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.780 -18.139 -9.134 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -14.480 -19.862 -9.546 1.00 0.00 O ATOM 0 H ASP 1 66 -14.599 -16.598 -11.932 1.00 0.00 H new ATOM 0 HA ASP 1 66 -12.400 -16.229 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.566 -18.361 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.583 -17.040 -8.377 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.665 -17.440 -12.346 1.00 0.00 N ATOM 916 CA TRP 1 67 -11.016 -18.230 -13.388 1.00 0.00 C ATOM 917 C TRP 1 67 -9.510 -18.231 -13.178 1.00 0.00 C ATOM 918 O TRP 1 67 -8.910 -19.249 -12.833 1.00 0.00 O ATOM 919 CB TRP 1 67 -11.337 -17.660 -14.776 1.00 0.00 C ATOM 920 CG TRP 1 67 -12.104 -16.373 -14.738 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.659 -15.152 -14.309 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -13.458 -16.185 -15.146 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.661 -14.225 -14.420 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.773 -14.832 -14.935 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -14.435 -17.031 -15.669 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -15.021 -14.306 -15.228 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.680 -16.508 -15.963 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.964 -15.155 -15.741 1.00 0.00 C ATOM 0 H TRP 1 67 -11.366 -16.465 -12.314 1.00 0.00 H new ATOM 0 HA TRP 1 67 -11.393 -19.251 -13.329 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -10.405 -17.501 -15.318 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.910 -18.397 -15.338 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.665 -14.950 -13.938 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.589 -13.241 -14.161 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -14.223 -18.076 -15.841 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -15.242 -13.263 -15.058 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -16.445 -17.152 -16.370 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.946 -14.774 -15.979 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.921 -17.066 -13.386 1.00 0.00 N ATOM 940 CA ASN 1 68 -7.488 -16.875 -13.224 1.00 0.00 C ATOM 941 C ASN 1 68 -7.212 -16.118 -11.932 1.00 0.00 C ATOM 942 O ASN 1 68 -6.195 -16.333 -11.273 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.919 -16.105 -14.419 1.00 0.00 C ATOM 944 CG ASN 1 68 -7.630 -16.439 -15.719 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.831 -15.894 -15.897 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -7.107 -17.178 -16.554 1.00 0.00 N flip ATOM 0 H ASN 1 68 -9.422 -16.225 -13.672 1.00 0.00 H new ATOM 0 HA ASN 1 68 -7.003 -17.850 -13.175 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -7.000 -15.035 -14.229 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.858 -16.331 -14.521 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -6.184 -17.575 -16.377 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -7.597 -17.393 -17.422 1.00 0.00 H new ATOM 953 N ASP 1 69 -8.141 -15.236 -11.573 1.00 0.00 N ATOM 954 CA ASP 1 69 -8.027 -14.446 -10.355 1.00 0.00 C ATOM 955 C ASP 1 69 -6.803 -13.544 -10.384 1.00 0.00 C ATOM 956 O ASP 1 69 -5.760 -13.909 -10.925 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.952 -15.362 -9.137 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.322 -15.753 -8.618 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.891 -16.740 -9.130 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.826 -15.071 -7.700 1.00 0.00 O ATOM 0 H ASP 1 69 -8.986 -15.051 -12.114 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.915 -13.817 -10.290 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.395 -16.262 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.396 -14.862 -8.344 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.934 -12.372 -9.776 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.834 -11.423 -9.710 1.00 0.00 C ATOM 967 C ASP 1 70 -5.012 -11.679 -8.460 1.00 0.00 C ATOM 968 O ASP 1 70 -5.547 -11.691 -7.352 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.362 -9.990 -9.710 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.270 -8.973 -9.953 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.296 -8.956 -9.172 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.385 -8.197 -10.924 1.00 0.00 O ATOM 0 H ASP 1 70 -7.791 -12.057 -9.322 1.00 0.00 H new ATOM 0 HA ASP 1 70 -5.202 -11.555 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -7.127 -9.888 -10.479 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.842 -9.782 -8.753 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.717 -11.917 -8.636 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.856 -12.211 -7.503 1.00 0.00 C ATOM 979 C TYR 1 71 -1.561 -11.427 -7.513 1.00 0.00 C ATOM 980 O TYR 1 71 -0.994 -11.138 -8.566 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.539 -13.696 -7.481 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.641 -14.505 -6.873 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.798 -14.546 -5.503 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.527 -15.211 -7.664 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.810 -15.275 -4.924 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.548 -15.945 -7.102 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.689 -15.976 -5.727 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.705 -16.707 -5.158 1.00 0.00 O ATOM 0 H TYR 1 71 -3.247 -11.912 -9.541 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.403 -11.912 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.357 -14.041 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.619 -13.860 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.114 -13.996 -4.874 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.417 -15.187 -8.738 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.917 -15.299 -3.850 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.234 -16.493 -7.731 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.232 -17.138 -5.863 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.093 -11.105 -6.314 1.00 0.00 N ATOM 999 CA CYS 1 72 0.148 -10.374 -6.150 1.00 0.00 C ATOM 1000 C CYS 1 72 1.332 -11.267 -6.490 1.00 0.00 C ATOM 1001 O CYS 1 72 1.197 -12.488 -6.566 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.276 -9.859 -4.720 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.507 -8.534 -4.526 1.00 0.00 S ATOM 0 H CYS 1 72 -1.560 -11.342 -5.439 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.141 -9.522 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.695 -9.492 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.544 -10.690 -4.067 1.00 0.00 H new ATOM 1008 N THR 1 73 2.487 -10.656 -6.703 1.00 0.00 N ATOM 1009 CA THR 1 73 3.688 -11.404 -7.046 1.00 0.00 C ATOM 1010 C THR 1 73 4.781 -11.223 -5.992 1.00 0.00 C ATOM 1011 O THR 1 73 5.700 -12.036 -5.896 1.00 0.00 O ATOM 1012 CB THR 1 73 4.188 -10.969 -8.423 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.867 -9.728 -8.344 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.067 -10.820 -9.433 1.00 0.00 C ATOM 0 H THR 1 73 2.619 -9.646 -6.645 1.00 0.00 H new ATOM 0 HA THR 1 73 3.437 -12.464 -7.074 1.00 0.00 H new ATOM 0 HB THR 1 73 4.861 -11.759 -8.756 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.040 -9.391 -9.248 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.481 -10.509 -10.392 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.554 -11.775 -9.551 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.359 -10.069 -9.083 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.670 -10.163 -5.196 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.653 -9.913 -4.156 1.00 0.00 C ATOM 1024 C GLY 1 74 6.887 -9.195 -4.668 1.00 0.00 C ATOM 1025 O GLY 1 74 7.912 -9.153 -3.986 1.00 0.00 O ATOM 0 H GLY 1 74 3.919 -9.475 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.195 -9.318 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.950 -10.862 -3.709 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.795 -8.626 -5.865 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.919 -7.905 -6.454 1.00 0.00 C ATOM 1031 C LYS 1 75 7.490 -6.530 -6.960 1.00 0.00 C ATOM 1032 O LYS 1 75 8.262 -5.839 -7.625 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.533 -8.708 -7.606 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.457 -10.216 -7.417 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.410 -10.842 -8.327 1.00 0.00 C ATOM 1036 CE LYS 1 75 7.970 -12.035 -9.086 1.00 0.00 C ATOM 1037 NZ LYS 1 75 7.475 -12.080 -10.490 1.00 0.00 N ATOM 0 H LYS 1 75 5.957 -8.649 -6.445 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.667 -7.770 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 8.024 -8.442 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.578 -8.418 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.431 -10.659 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.218 -10.442 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 6.553 -11.158 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.050 -10.096 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.059 -11.987 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 7.691 -12.955 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 7.879 -12.907 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 6.437 -12.151 -10.490 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 7.762 -11.213 -10.987 1.00 0.00 H new ATOM 1051 N SER 1 76 6.258 -6.135 -6.648 1.00 0.00 N ATOM 1052 CA SER 1 76 5.745 -4.841 -7.082 1.00 0.00 C ATOM 1053 C SER 1 76 4.499 -4.446 -6.297 1.00 0.00 C ATOM 1054 O SER 1 76 3.934 -5.250 -5.556 1.00 0.00 O ATOM 1055 CB SER 1 76 5.428 -4.873 -8.578 1.00 0.00 C ATOM 1056 OG SER 1 76 6.442 -5.551 -9.301 1.00 0.00 O ATOM 0 H SER 1 76 5.601 -6.690 -6.099 1.00 0.00 H new ATOM 0 HA SER 1 76 6.517 -4.096 -6.892 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.470 -5.367 -8.739 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.329 -3.855 -8.954 1.00 0.00 H new ATOM 0 HG SER 1 76 7.321 -5.221 -9.020 1.00 0.00 H new ATOM 1062 N SER 1 77 4.077 -3.198 -6.474 1.00 0.00 N ATOM 1063 CA SER 1 77 2.896 -2.675 -5.796 1.00 0.00 C ATOM 1064 C SER 1 77 1.638 -2.897 -6.630 1.00 0.00 C ATOM 1065 O SER 1 77 0.579 -2.347 -6.327 1.00 0.00 O ATOM 1066 CB SER 1 77 3.072 -1.184 -5.506 1.00 0.00 C ATOM 1067 OG SER 1 77 3.534 -0.493 -6.654 1.00 0.00 O ATOM 0 H SER 1 77 4.539 -2.526 -7.086 1.00 0.00 H new ATOM 0 HA SER 1 77 2.781 -3.214 -4.856 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.123 -0.759 -5.179 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.780 -1.050 -4.688 1.00 0.00 H new ATOM 0 HG SER 1 77 3.637 0.459 -6.444 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.758 -3.698 -7.685 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.624 -3.979 -8.557 1.00 0.00 C ATOM 1075 C ASP 1 78 0.217 -5.447 -8.481 1.00 0.00 C ATOM 1076 O ASP 1 78 1.049 -6.325 -8.252 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.963 -3.606 -10.002 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.170 -4.359 -10.525 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.000 -5.510 -10.980 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.285 -3.799 -10.480 1.00 0.00 O ATOM 0 H ASP 1 78 2.625 -4.162 -7.955 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.217 -3.375 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.104 -3.815 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.152 -2.534 -10.063 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.072 -5.699 -8.676 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.613 -7.053 -8.634 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.244 -7.424 -9.979 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.339 -6.966 -10.302 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.658 -7.155 -7.521 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.420 -8.578 -6.413 1.00 0.00 S ATOM 0 H CYS 1 79 -1.767 -4.977 -8.866 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.799 -7.749 -8.432 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.635 -6.239 -6.930 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.649 -7.219 -7.971 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.559 -8.255 -10.788 1.00 0.00 N ATOM 1096 CA PRO 1 80 -2.063 -8.675 -12.104 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.264 -9.616 -12.010 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.324 -10.478 -11.133 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.867 -9.402 -12.724 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.074 -9.886 -11.560 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.239 -8.843 -10.490 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.420 -7.825 -12.686 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -1.190 -10.230 -13.355 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.279 -8.733 -13.353 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.433 -10.857 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 0.976 -10.010 -11.826 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.210 -9.282 -9.493 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.553 -8.095 -10.532 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.217 -9.444 -12.927 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.423 -10.282 -12.959 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.104 -11.703 -13.397 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.960 -12.586 -13.338 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.479 -9.724 -13.922 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.278 -8.302 -14.334 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.514 -7.836 -15.366 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.874 -7.163 -13.729 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.601 -6.466 -15.430 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.435 -6.031 -14.433 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.740 -7.000 -12.654 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.838 -4.746 -14.094 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.144 -5.724 -12.314 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.694 -4.609 -13.033 1.00 0.00 C ATOM 0 H TRP 1 81 -4.180 -8.734 -13.658 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.813 -10.282 -11.941 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.496 -10.346 -14.817 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -7.459 -9.814 -13.453 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.929 -8.452 -16.032 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.124 -5.871 -16.107 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.090 -7.855 -12.095 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -6.489 -3.886 -14.647 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.817 -5.583 -11.481 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.028 -3.623 -12.746 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.889 -11.907 -13.875 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.473 -13.212 -14.369 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.283 -13.573 -15.612 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.476 -14.747 -15.926 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.656 -14.285 -13.292 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.569 -14.237 -12.237 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.862 -13.594 -11.113 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -1.477 -14.773 -12.429 1.00 0.00 N flip ATOM 0 H ASN 1 82 -3.170 -11.185 -13.932 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.415 -13.166 -14.627 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.627 -14.155 -12.815 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.660 -15.269 -13.761 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.294 -15.257 -13.308 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -0.756 -14.733 -11.709 1.00 0.00 H new ATOM 1147 N HIS 1 83 -4.764 -12.542 -16.307 1.00 0.00 N ATOM 1148 CA HIS 1 83 -5.566 -12.724 -17.511 1.00 0.00 C ATOM 1149 C HIS 1 83 -4.717 -12.554 -18.766 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.760 -11.752 -18.729 1.00 0.00 O ATOM 1151 CB HIS 1 83 -6.724 -11.722 -17.518 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.655 -11.898 -16.361 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.946 -12.994 -15.624 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -8.400 -10.869 -15.824 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.848 -12.613 -14.664 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -9.104 -11.326 -14.804 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -5.016 -13.224 -19.777 1.00 0.00 O ATOM 0 H HIS 1 83 -4.609 -11.567 -16.052 1.00 0.00 H new ATOM 0 HA HIS 1 83 -5.965 -13.738 -17.509 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -6.321 -10.709 -17.502 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -7.284 -11.828 -18.447 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.407 -9.850 -16.181 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.279 -13.261 -13.915 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -9.738 -10.777 -14.223 1.00 0.00 H new