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= -0.996 F(o=-12!,f=-9.1) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -8.07! C(o=-13!,f=-9.1!) USER MOD Set 2.1: 1 30 ASN : amide:sc= -4.92! C(o=-9.5!,f=-11!) USER MOD Set 2.2: 1 33 THR OG1 : rot -148:sc= -4.58! USER MOD Single : 1 7 ASN :FLIP amide:sc= -0.0139 F(o=-0.71,f=-0.014) USER MOD Single : 1 8 LYS NZ :NH3+ -151:sc= -1.13 (180deg=-2.74!) USER MOD Single : 1 12 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.3!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -3.43 K(o=-3.4,f=-4.1!) USER MOD Single : 1 25 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.2!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -6:sc= -1.24! USER MOD Single : 1 40 SER OG : rot -80:sc= -2.82! USER MOD Single : 1 41 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.7!) USER MOD Single : 1 43 ASN : amide:sc= -0.602 K(o=-0.6,f=-2) 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 80:sc= 1.07 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+ 170:sc= -1.08 (180deg=-1.59) USER MOD Single : 1 76 SER OG : rot 33:sc= 1.26 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0508 USER MOD Single : 1 82 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -2.951 15.347 11.752 1.00 0.00 N ATOM 43 CA VAL 1 4 -2.163 16.560 11.842 1.00 0.00 C ATOM 44 C VAL 1 4 -0.684 16.273 11.604 1.00 0.00 C ATOM 45 O VAL 1 4 0.084 16.049 12.539 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.336 17.226 13.212 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.154 16.194 14.309 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -1.363 18.382 13.368 1.00 0.00 C ATOM 0 HA VAL 1 4 -2.522 17.237 11.067 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.344 17.634 13.290 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -2.278 16.671 15.281 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.898 15.406 14.194 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.155 15.763 14.241 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -1.500 18.843 14.346 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -0.341 18.012 13.281 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -1.549 19.122 12.589 1.00 0.00 H new ATOM 58 N CYS 1 5 -0.306 16.313 10.348 1.00 0.00 N ATOM 59 CA CYS 1 5 1.069 16.092 9.921 1.00 0.00 C ATOM 60 C CYS 1 5 1.066 16.076 8.409 1.00 0.00 C ATOM 61 O CYS 1 5 0.709 15.070 7.795 1.00 0.00 O ATOM 62 CB CYS 1 5 1.617 14.776 10.488 1.00 0.00 C ATOM 63 SG CYS 1 5 3.309 14.902 11.165 1.00 0.00 S ATOM 0 H CYS 1 5 -0.948 16.502 9.578 1.00 0.00 H new ATOM 0 HA CYS 1 5 1.719 16.884 10.293 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 0.948 14.425 11.274 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 1.607 14.022 9.701 1.00 0.00 H new ATOM 68 N GLY 1 6 1.384 17.214 7.802 1.00 0.00 N ATOM 69 CA GLY 1 6 1.314 17.295 6.360 1.00 0.00 C ATOM 70 C GLY 1 6 -0.073 16.883 5.890 1.00 0.00 C ATOM 71 O GLY 1 6 -0.258 16.459 4.749 1.00 0.00 O ATOM 0 H GLY 1 6 1.684 18.067 8.275 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.533 18.311 6.032 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.068 16.647 5.913 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.045 16.991 6.809 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.426 16.612 6.543 1.00 0.00 C ATOM 77 C ASN 1 7 -2.511 15.131 6.217 1.00 0.00 C ATOM 78 O ASN 1 7 -1.769 14.639 5.367 1.00 0.00 O ATOM 79 CB ASN 1 7 -3.004 17.434 5.392 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.742 18.919 5.553 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -1.619 19.384 5.017 1.00 0.00 O flip ATOM 82 ND2 ASN 1 7 -3.540 19.640 6.151 1.00 0.00 N flip ATOM 0 H ASN 1 7 -0.888 17.344 7.753 1.00 0.00 H new ATOM 0 HA ASN 1 7 -3.012 16.814 7.439 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.572 17.092 4.452 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -4.079 17.262 5.330 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.391 19.240 6.547 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.351 20.637 6.250 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.416 14.417 6.891 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.577 12.988 6.646 1.00 0.00 C ATOM 91 C LYS 1 8 -3.521 12.736 5.141 1.00 0.00 C ATOM 92 O LYS 1 8 -4.354 13.257 4.399 1.00 0.00 O ATOM 93 CB LYS 1 8 -4.910 12.479 7.226 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.676 11.516 6.327 1.00 0.00 C ATOM 95 CD LYS 1 8 -4.901 10.228 6.099 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.153 9.222 7.210 1.00 0.00 C ATOM 97 NZ LYS 1 8 -4.526 9.643 8.494 1.00 0.00 N ATOM 0 H LYS 1 8 -4.039 14.802 7.601 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.771 12.445 7.141 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -4.710 11.984 8.177 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.547 13.337 7.441 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -6.641 11.286 6.778 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -5.878 11.994 5.369 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.189 9.794 5.141 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -3.835 10.449 6.042 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.227 9.101 7.353 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -4.759 8.249 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -4.280 8.801 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -3.665 10.191 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.195 10.231 9.031 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.531 11.979 4.679 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.405 11.736 3.246 1.00 0.00 C ATOM 113 C ILE 1 9 -3.731 11.323 2.630 1.00 0.00 C ATOM 114 O ILE 1 9 -4.464 10.499 3.176 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.323 10.702 2.890 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.487 9.405 3.679 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.047 11.298 3.132 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.627 8.538 3.192 1.00 0.00 C ATOM 0 H ILE 1 9 -1.820 11.533 5.259 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.091 12.690 2.822 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.433 10.450 1.835 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.559 8.836 3.622 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.649 9.647 4.729 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.813 10.564 2.879 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.174 12.184 2.509 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.143 11.576 4.182 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.682 7.635 3.799 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.564 9.089 3.275 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.457 8.265 2.150 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.032 11.927 1.494 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.271 11.660 0.782 1.00 0.00 C ATOM 132 C LEU 1 10 -5.019 10.764 -0.425 1.00 0.00 C ATOM 133 O LEU 1 10 -5.835 10.699 -1.344 1.00 0.00 O ATOM 134 CB LEU 1 10 -5.919 12.982 0.348 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.973 14.187 0.312 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -3.960 14.041 -0.815 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -5.758 15.484 0.172 1.00 0.00 C ATOM 0 H LEU 1 10 -3.429 12.613 1.040 1.00 0.00 H new ATOM 0 HA LEU 1 10 -5.953 11.136 1.452 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.351 12.849 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.742 13.206 1.027 1.00 0.00 H new ATOM 0 HG LEU 1 10 -4.428 14.222 1.255 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.298 14.907 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -3.372 13.136 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.484 13.976 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -5.067 16.327 0.148 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -6.335 15.462 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -6.435 15.593 1.020 1.00 0.00 H new ATOM 149 N GLU 1 11 -3.880 10.071 -0.407 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.500 9.167 -1.490 1.00 0.00 C ATOM 151 C GLU 1 11 -2.016 8.815 -1.412 1.00 0.00 C ATOM 152 O GLU 1 11 -1.337 8.734 -2.436 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.805 9.792 -2.856 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.469 11.273 -2.938 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.127 11.715 -4.347 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.009 11.627 -5.228 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.978 12.150 -4.571 1.00 0.00 O ATOM 0 H GLU 1 11 -3.201 10.120 0.352 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.087 8.256 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.245 9.258 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.863 9.655 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.316 11.855 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.628 11.488 -2.279 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.510 8.602 -0.198 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.103 8.258 -0.022 1.00 0.00 C ATOM 166 C GLN 1 12 0.223 7.888 1.426 1.00 0.00 C ATOM 167 O GLN 1 12 1.002 8.573 2.088 1.00 0.00 O ATOM 168 CB GLN 1 12 0.793 9.416 -0.479 1.00 0.00 C ATOM 169 CG GLN 1 12 0.330 10.788 -0.019 1.00 0.00 C ATOM 170 CD GLN 1 12 0.542 11.857 -1.074 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.126 11.599 -2.126 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.067 13.065 -0.795 1.00 0.00 N ATOM 0 H GLN 1 12 -2.047 8.661 0.667 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.092 7.382 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 1.804 9.245 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.846 9.410 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.728 10.743 0.240 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.869 11.065 0.887 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.411 13.233 0.090 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.180 13.825 -1.466 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.358 6.789 1.908 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.093 6.343 3.270 1.00 0.00 C ATOM 183 C GLY 1 13 1.394 6.247 3.559 1.00 0.00 C ATOM 184 O GLY 1 13 1.831 6.401 4.699 1.00 0.00 O ATOM 0 H GLY 1 13 -1.005 6.201 1.383 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.555 7.035 3.974 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -0.557 5.369 3.429 1.00 0.00 H new ATOM 188 N GLU 1 14 2.164 6.000 2.508 1.00 0.00 N ATOM 189 CA GLU 1 14 3.616 5.885 2.602 1.00 0.00 C ATOM 190 C GLU 1 14 4.271 6.622 1.443 1.00 0.00 C ATOM 191 O GLU 1 14 5.417 7.059 1.540 1.00 0.00 O ATOM 192 CB GLU 1 14 4.031 4.415 2.609 1.00 0.00 C ATOM 193 CG GLU 1 14 4.420 3.907 3.987 1.00 0.00 C ATOM 194 CD GLU 1 14 4.859 2.457 3.971 1.00 0.00 C ATOM 195 OE1 GLU 1 14 5.685 2.095 3.109 1.00 0.00 O ATOM 196 OE2 GLU 1 14 4.375 1.682 4.823 1.00 0.00 O ATOM 0 H GLU 1 14 1.800 5.873 1.564 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.949 6.339 3.536 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 3.209 3.811 2.225 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.871 4.279 1.928 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 5.228 4.523 4.383 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.573 4.019 4.664 1.00 0.00 H new ATOM 203 N ASP 1 15 3.519 6.784 0.354 1.00 0.00 N ATOM 204 CA ASP 1 15 4.002 7.499 -0.815 1.00 0.00 C ATOM 205 C ASP 1 15 4.670 8.799 -0.384 1.00 0.00 C ATOM 206 O ASP 1 15 5.614 9.273 -1.016 1.00 0.00 O ATOM 207 CB ASP 1 15 2.829 7.794 -1.752 1.00 0.00 C ATOM 208 CG ASP 1 15 2.985 7.131 -3.106 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.657 5.931 -3.222 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.436 7.811 -4.052 1.00 0.00 O ATOM 0 H ASP 1 15 2.568 6.425 0.263 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.734 6.886 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.903 7.452 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.739 8.872 -1.887 1.00 0.00 H new ATOM 215 N CYS 1 16 4.168 9.359 0.716 1.00 0.00 N ATOM 216 CA CYS 1 16 4.699 10.593 1.271 1.00 0.00 C ATOM 217 C CYS 1 16 3.777 11.132 2.361 1.00 0.00 C ATOM 218 O CYS 1 16 2.590 11.347 2.134 1.00 0.00 O ATOM 219 CB CYS 1 16 4.899 11.638 0.168 1.00 0.00 C ATOM 220 SG CYS 1 16 4.684 13.373 0.705 1.00 0.00 S ATOM 0 H CYS 1 16 3.386 8.969 1.242 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.669 10.378 1.719 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.901 11.522 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.196 11.433 -0.639 1.00 0.00 H new ATOM 225 N ASP 1 17 4.347 11.354 3.538 1.00 0.00 N ATOM 226 CA ASP 1 17 3.607 11.878 4.684 1.00 0.00 C ATOM 227 C ASP 1 17 2.813 10.779 5.390 1.00 0.00 C ATOM 228 O ASP 1 17 1.740 10.384 4.942 1.00 0.00 O ATOM 229 CB ASP 1 17 2.674 13.020 4.260 1.00 0.00 C ATOM 230 CG ASP 1 17 2.896 14.279 5.076 1.00 0.00 C ATOM 231 OD1 ASP 1 17 2.694 14.232 6.307 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.273 15.311 4.482 1.00 0.00 O ATOM 0 H ASP 1 17 5.333 11.177 3.728 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.339 12.271 5.390 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.831 13.242 3.204 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.638 12.698 4.367 1.00 0.00 H new ATOM 237 N CYS 1 18 3.353 10.299 6.508 1.00 0.00 N ATOM 238 CA CYS 1 18 2.714 9.257 7.307 1.00 0.00 C ATOM 239 C CYS 1 18 1.216 9.506 7.423 1.00 0.00 C ATOM 240 O CYS 1 18 0.412 8.576 7.357 1.00 0.00 O ATOM 241 CB CYS 1 18 3.341 9.226 8.714 1.00 0.00 C ATOM 242 SG CYS 1 18 3.810 7.578 9.365 1.00 0.00 S ATOM 0 H CYS 1 18 4.244 10.621 6.885 1.00 0.00 H new ATOM 0 HA CYS 1 18 2.870 8.298 6.812 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.231 9.855 8.705 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.637 9.680 9.411 1.00 0.00 H new ATOM 247 N GLY 1 19 0.849 10.770 7.618 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.549 11.118 7.765 1.00 0.00 C ATOM 249 C GLY 1 19 -1.053 10.829 9.161 1.00 0.00 C ATOM 250 O GLY 1 19 -2.080 11.363 9.579 1.00 0.00 O ATOM 0 H GLY 1 19 1.496 11.557 7.676 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.686 12.176 7.540 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.141 10.559 7.041 1.00 0.00 H new ATOM 254 N SER 1 20 -0.320 9.993 9.894 1.00 0.00 N ATOM 255 CA SER 1 20 -0.695 9.658 11.249 1.00 0.00 C ATOM 256 C SER 1 20 0.080 10.517 12.229 1.00 0.00 C ATOM 257 O SER 1 20 1.266 10.293 12.458 1.00 0.00 O ATOM 258 CB SER 1 20 -0.447 8.180 11.538 1.00 0.00 C ATOM 259 OG SER 1 20 -0.445 7.417 10.343 1.00 0.00 O ATOM 0 H SER 1 20 0.533 9.541 9.565 1.00 0.00 H new ATOM 0 HA SER 1 20 -1.761 9.852 11.365 1.00 0.00 H new ATOM 0 HB2 SER 1 20 0.508 8.062 12.049 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -1.217 7.804 12.211 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.282 6.475 10.557 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.575 11.528 12.812 1.00 0.00 N ATOM 266 CA PRO 1 21 0.075 12.429 13.759 1.00 0.00 C ATOM 267 C PRO 1 21 0.544 11.715 15.018 1.00 0.00 C ATOM 268 O PRO 1 21 1.545 12.099 15.622 1.00 0.00 O ATOM 269 CB PRO 1 21 -1.014 13.451 14.090 1.00 0.00 C ATOM 270 CG PRO 1 21 -2.294 12.758 13.769 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.988 11.883 12.591 1.00 0.00 C ATOM 0 HA PRO 1 21 0.977 12.874 13.339 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.975 13.745 15.139 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -0.897 14.360 13.500 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.645 12.168 14.616 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -3.080 13.475 13.532 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.628 11.001 12.564 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.131 12.409 11.647 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.175 10.666 15.406 1.00 0.00 N ATOM 280 CA ALA 1 22 0.184 9.895 16.591 1.00 0.00 C ATOM 281 C ALA 1 22 1.661 9.511 16.555 1.00 0.00 C ATOM 282 O ALA 1 22 2.290 9.314 17.594 1.00 0.00 O ATOM 283 CB ALA 1 22 -0.685 8.651 16.697 1.00 0.00 C ATOM 0 H ALA 1 22 -1.007 10.331 14.919 1.00 0.00 H new ATOM 0 HA ALA 1 22 0.012 10.516 17.470 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -0.405 8.086 17.586 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -1.733 8.944 16.768 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -0.541 8.030 15.813 1.00 0.00 H new ATOM 289 N ASN 1 23 2.205 9.414 15.345 1.00 0.00 N ATOM 290 CA ASN 1 23 3.605 9.062 15.157 1.00 0.00 C ATOM 291 C ASN 1 23 4.321 10.124 14.328 1.00 0.00 C ATOM 292 O ASN 1 23 5.446 10.516 14.640 1.00 0.00 O ATOM 293 CB ASN 1 23 3.714 7.703 14.464 1.00 0.00 C ATOM 294 CG ASN 1 23 3.490 6.546 15.419 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.660 5.672 15.168 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.230 6.535 16.522 1.00 0.00 N ATOM 0 H ASN 1 23 1.693 9.576 14.478 1.00 0.00 H new ATOM 0 HA ASN 1 23 4.080 9.006 16.136 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 2.984 7.651 13.657 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.700 7.609 14.009 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.122 5.782 17.201 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.906 7.280 16.690 1.00 0.00 H new ATOM 303 N CYS 1 24 3.660 10.579 13.267 1.00 0.00 N ATOM 304 CA CYS 1 24 4.222 11.588 12.375 1.00 0.00 C ATOM 305 C CYS 1 24 5.500 11.070 11.721 1.00 0.00 C ATOM 306 O CYS 1 24 5.488 10.642 10.567 1.00 0.00 O ATOM 307 CB CYS 1 24 4.505 12.891 13.130 1.00 0.00 C ATOM 308 SG CYS 1 24 3.159 14.122 13.036 1.00 0.00 S ATOM 0 H CYS 1 24 2.727 10.262 13.003 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.488 11.796 11.597 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.694 12.656 14.177 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 5.417 13.336 12.733 1.00 0.00 H new ATOM 313 N GLN 1 25 6.596 11.103 12.469 1.00 0.00 N ATOM 314 CA GLN 1 25 7.880 10.628 11.967 1.00 0.00 C ATOM 315 C GLN 1 25 8.052 9.139 12.255 1.00 0.00 C ATOM 316 O GLN 1 25 8.730 8.427 11.515 1.00 0.00 O ATOM 317 CB GLN 1 25 9.025 11.418 12.602 1.00 0.00 C ATOM 318 CG GLN 1 25 10.319 11.359 11.807 1.00 0.00 C ATOM 319 CD GLN 1 25 11.290 10.329 12.349 1.00 0.00 C ATOM 320 OE1 GLN 1 25 11.207 9.932 13.512 1.00 0.00 O ATOM 321 NE2 GLN 1 25 12.218 9.890 11.507 1.00 0.00 N ATOM 0 H GLN 1 25 6.622 11.454 13.426 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.902 10.780 10.888 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.721 12.459 12.709 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.207 11.034 13.606 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 10.092 11.126 10.767 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 10.793 12.341 11.818 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 12.250 10.247 10.552 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 12.899 9.196 11.815 1.00 0.00 H new ATOM 330 N ASP 1 26 7.429 8.675 13.336 1.00 0.00 N ATOM 331 CA ASP 1 26 7.509 7.271 13.722 1.00 0.00 C ATOM 332 C ASP 1 26 6.836 6.383 12.677 1.00 0.00 C ATOM 333 O ASP 1 26 6.635 6.800 11.536 1.00 0.00 O ATOM 334 CB ASP 1 26 6.863 7.063 15.096 1.00 0.00 C ATOM 335 CG ASP 1 26 7.805 6.404 16.084 1.00 0.00 C ATOM 336 OD1 ASP 1 26 8.090 5.199 15.920 1.00 0.00 O ATOM 337 OD2 ASP 1 26 8.259 7.093 17.022 1.00 0.00 O ATOM 0 H ASP 1 26 6.864 9.252 13.959 1.00 0.00 H new ATOM 0 HA ASP 1 26 8.560 6.989 13.782 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 6.541 8.026 15.492 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 5.969 6.449 14.985 1.00 0.00 H new ATOM 342 N ARG 1 27 6.495 5.157 13.067 1.00 0.00 N ATOM 343 CA ARG 1 27 5.854 4.218 12.152 1.00 0.00 C ATOM 344 C ARG 1 27 6.767 3.928 10.965 1.00 0.00 C ATOM 345 O ARG 1 27 7.966 4.200 11.017 1.00 0.00 O ATOM 346 CB ARG 1 27 4.514 4.777 11.665 1.00 0.00 C ATOM 347 CG ARG 1 27 3.433 3.718 11.505 1.00 0.00 C ATOM 348 CD ARG 1 27 2.531 3.653 12.728 1.00 0.00 C ATOM 349 NE ARG 1 27 3.015 2.691 13.714 1.00 0.00 N ATOM 350 CZ ARG 1 27 2.991 1.372 13.537 1.00 0.00 C ATOM 351 NH1 ARG 1 27 2.509 0.855 12.413 1.00 0.00 N ATOM 352 NH2 ARG 1 27 3.451 0.567 14.485 1.00 0.00 N ATOM 0 H ARG 1 27 6.651 4.792 14.007 1.00 0.00 H new ATOM 0 HA ARG 1 27 5.669 3.286 12.686 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 4.168 5.533 12.369 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 4.665 5.277 10.708 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 2.834 3.938 10.621 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 3.897 2.745 11.341 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 2.468 4.640 13.185 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 1.522 3.380 12.420 1.00 0.00 H new ATOM 0 HE ARG 1 27 3.394 3.051 14.590 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 2.155 1.469 11.680 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 2.493 -0.157 12.283 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 3.823 0.959 15.350 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 3.432 -0.444 14.349 1.00 0.00 H new ATOM 366 N CYS 1 28 6.200 3.378 9.897 1.00 0.00 N ATOM 367 CA CYS 1 28 6.981 3.060 8.710 1.00 0.00 C ATOM 368 C CYS 1 28 6.880 4.166 7.659 1.00 0.00 C ATOM 369 O CYS 1 28 7.404 4.026 6.554 1.00 0.00 O ATOM 370 CB CYS 1 28 6.529 1.726 8.114 1.00 0.00 C ATOM 371 SG CYS 1 28 4.753 1.642 7.723 1.00 0.00 S ATOM 0 H CYS 1 28 5.209 3.145 9.830 1.00 0.00 H new ATOM 0 HA CYS 1 28 8.025 2.979 9.014 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 7.099 1.537 7.204 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 6.773 0.927 8.815 1.00 0.00 H new ATOM 376 N CYS 1 29 6.218 5.270 8.005 1.00 0.00 N ATOM 377 CA CYS 1 29 6.078 6.388 7.078 1.00 0.00 C ATOM 378 C CYS 1 29 6.590 7.684 7.695 1.00 0.00 C ATOM 379 O CYS 1 29 6.693 7.812 8.915 1.00 0.00 O ATOM 380 CB CYS 1 29 4.625 6.554 6.618 1.00 0.00 C ATOM 381 SG CYS 1 29 3.371 6.238 7.904 1.00 0.00 S ATOM 0 H CYS 1 29 5.775 5.412 8.913 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.688 6.161 6.203 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.492 7.569 6.243 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 4.445 5.879 5.782 1.00 0.00 H new ATOM 386 N ASN 1 30 6.926 8.633 6.831 1.00 0.00 N ATOM 387 CA ASN 1 30 7.452 9.925 7.254 1.00 0.00 C ATOM 388 C ASN 1 30 6.448 11.035 7.045 1.00 0.00 C ATOM 389 O ASN 1 30 6.265 11.524 5.930 1.00 0.00 O ATOM 390 CB ASN 1 30 8.720 10.253 6.479 1.00 0.00 C ATOM 391 CG ASN 1 30 9.925 9.491 6.988 1.00 0.00 C ATOM 392 OD1 ASN 1 30 10.625 8.827 6.224 1.00 0.00 O ATOM 393 ND2 ASN 1 30 10.171 9.583 8.287 1.00 0.00 N ATOM 0 H ASN 1 30 6.842 8.530 5.820 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.670 9.853 8.319 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.567 10.022 5.425 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.916 11.323 6.546 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.968 9.091 8.691 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 9.563 10.145 8.883 1.00 0.00 H new ATOM 400 N ALA 1 31 5.834 11.454 8.139 1.00 0.00 N ATOM 401 CA ALA 1 31 4.876 12.548 8.104 1.00 0.00 C ATOM 402 C ALA 1 31 5.636 13.862 8.103 1.00 0.00 C ATOM 403 O ALA 1 31 5.133 14.893 7.657 1.00 0.00 O ATOM 404 CB ALA 1 31 3.910 12.475 9.283 1.00 0.00 C ATOM 0 H ALA 1 31 5.982 11.052 9.065 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.276 12.473 7.197 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.207 13.306 9.229 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.363 11.533 9.247 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.470 12.534 10.216 1.00 0.00 H new ATOM 410 N ALA 1 32 6.873 13.798 8.593 1.00 0.00 N ATOM 411 CA ALA 1 32 7.743 14.962 8.643 1.00 0.00 C ATOM 412 C ALA 1 32 8.794 14.905 7.538 1.00 0.00 C ATOM 413 O ALA 1 32 9.630 15.801 7.421 1.00 0.00 O ATOM 414 CB ALA 1 32 8.415 15.058 10.003 1.00 0.00 C ATOM 0 H ALA 1 32 7.293 12.945 8.962 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.132 15.851 8.487 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.064 15.934 10.027 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.655 15.148 10.779 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 9.009 14.161 10.179 1.00 0.00 H new ATOM 420 N THR 1 33 8.767 13.834 6.746 1.00 0.00 N ATOM 421 CA THR 1 33 9.742 13.658 5.678 1.00 0.00 C ATOM 422 C THR 1 33 9.081 13.390 4.323 1.00 0.00 C ATOM 423 O THR 1 33 9.767 13.249 3.311 1.00 0.00 O ATOM 424 CB THR 1 33 10.709 12.534 6.049 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.479 12.093 7.377 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.151 12.947 5.979 1.00 0.00 C ATOM 0 H THR 1 33 8.084 13.081 6.825 1.00 0.00 H new ATOM 0 HA THR 1 33 10.295 14.591 5.571 1.00 0.00 H new ATOM 0 HB THR 1 33 10.523 11.746 5.320 1.00 0.00 H new ATOM 0 HG1 THR 1 33 11.324 11.796 7.774 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.785 12.104 6.254 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.390 13.265 4.964 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.327 13.773 6.668 1.00 0.00 H new ATOM 434 N CYS 1 34 7.752 13.353 4.299 1.00 0.00 N ATOM 435 CA CYS 1 34 7.012 13.141 3.057 1.00 0.00 C ATOM 436 C CYS 1 34 7.459 11.870 2.325 1.00 0.00 C ATOM 437 O CYS 1 34 7.710 11.897 1.121 1.00 0.00 O ATOM 438 CB CYS 1 34 7.181 14.372 2.151 1.00 0.00 C ATOM 439 SG CYS 1 34 6.518 14.204 0.455 1.00 0.00 S ATOM 0 H CYS 1 34 7.164 13.467 5.125 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.960 13.006 3.308 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.694 15.222 2.629 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.243 14.609 2.085 1.00 0.00 H new ATOM 444 N LYS 1 35 7.547 10.749 3.038 1.00 0.00 N ATOM 445 CA LYS 1 35 7.947 9.495 2.393 1.00 0.00 C ATOM 446 C LYS 1 35 7.889 8.306 3.341 1.00 0.00 C ATOM 447 O LYS 1 35 7.878 8.461 4.555 1.00 0.00 O ATOM 448 CB LYS 1 35 9.356 9.614 1.826 1.00 0.00 C ATOM 449 CG LYS 1 35 9.393 9.843 0.323 1.00 0.00 C ATOM 450 CD LYS 1 35 9.780 8.577 -0.423 1.00 0.00 C ATOM 451 CE LYS 1 35 11.243 8.600 -0.839 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.900 7.280 -0.630 1.00 0.00 N ATOM 0 H LYS 1 35 7.353 10.679 4.037 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.233 9.318 1.589 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.870 10.437 2.323 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.910 8.705 2.060 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.416 10.184 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.105 10.635 0.092 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.594 7.709 0.210 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.151 8.467 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.317 8.880 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.771 9.363 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.896 7.337 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.852 7.024 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.412 6.556 -1.195 1.00 0.00 H new ATOM 466 N LEU 1 36 7.875 7.110 2.766 1.00 0.00 N ATOM 467 CA LEU 1 36 7.844 5.887 3.558 1.00 0.00 C ATOM 468 C LEU 1 36 9.255 5.507 3.996 1.00 0.00 C ATOM 469 O LEU 1 36 10.126 5.230 3.171 1.00 0.00 O ATOM 470 CB LEU 1 36 7.180 4.751 2.776 1.00 0.00 C ATOM 471 CG LEU 1 36 8.045 4.056 1.726 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.255 2.941 1.049 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.546 5.062 0.701 1.00 0.00 C ATOM 0 H LEU 1 36 7.885 6.961 1.757 1.00 0.00 H new ATOM 0 HA LEU 1 36 7.247 6.064 4.452 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.837 4.000 3.488 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.294 5.149 2.281 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.911 3.614 2.220 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 7.881 2.453 0.303 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 6.944 2.210 1.796 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 6.374 3.362 0.564 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.161 4.551 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.696 5.531 0.206 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 9.141 5.826 1.202 1.00 0.00 H new ATOM 485 N THR 1 37 9.474 5.531 5.305 1.00 0.00 N ATOM 486 CA THR 1 37 10.779 5.228 5.884 1.00 0.00 C ATOM 487 C THR 1 37 11.352 3.902 5.399 1.00 0.00 C ATOM 488 O THR 1 37 10.621 2.993 5.003 1.00 0.00 O ATOM 489 CB THR 1 37 10.682 5.212 7.406 1.00 0.00 C ATOM 490 OG1 THR 1 37 9.599 4.406 7.833 1.00 0.00 O ATOM 491 CG2 THR 1 37 10.494 6.587 7.994 1.00 0.00 C ATOM 0 H THR 1 37 8.757 5.760 5.993 1.00 0.00 H new ATOM 0 HA THR 1 37 11.458 6.014 5.554 1.00 0.00 H new ATOM 0 HB THR 1 37 11.630 4.806 7.758 1.00 0.00 H new ATOM 0 HG1 THR 1 37 9.087 4.106 7.053 1.00 0.00 H new ATOM 0 HG21 THR 1 37 10.432 6.513 9.080 1.00 0.00 H new ATOM 0 HG22 THR 1 37 11.340 7.218 7.721 1.00 0.00 H new ATOM 0 HG23 THR 1 37 9.574 7.026 7.607 1.00 0.00 H new ATOM 499 N PRO 1 38 12.692 3.783 5.444 1.00 0.00 N ATOM 500 CA PRO 1 38 13.406 2.573 5.030 1.00 0.00 C ATOM 501 C PRO 1 38 12.774 1.306 5.588 1.00 0.00 C ATOM 502 O PRO 1 38 12.179 1.317 6.666 1.00 0.00 O ATOM 503 CB PRO 1 38 14.796 2.781 5.627 1.00 0.00 C ATOM 504 CG PRO 1 38 14.978 4.256 5.625 1.00 0.00 C ATOM 505 CD PRO 1 38 13.621 4.831 5.919 1.00 0.00 C ATOM 0 HA PRO 1 38 13.398 2.438 3.948 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 14.861 2.373 6.636 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 15.563 2.284 5.033 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 15.705 4.562 6.377 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 15.351 4.604 4.662 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 13.491 5.030 6.983 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 13.463 5.774 5.396 1.00 0.00 H new ATOM 513 N GLY 1 39 12.905 0.216 4.845 1.00 0.00 N ATOM 514 CA GLY 1 39 12.338 -1.047 5.277 1.00 0.00 C ATOM 515 C GLY 1 39 10.938 -1.258 4.741 1.00 0.00 C ATOM 516 O GLY 1 39 10.568 -2.373 4.372 1.00 0.00 O ATOM 0 H GLY 1 39 13.394 0.183 3.950 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.979 -1.864 4.945 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 12.317 -1.080 6.366 1.00 0.00 H new ATOM 520 N SER 1 40 10.157 -0.183 4.693 1.00 0.00 N ATOM 521 CA SER 1 40 8.792 -0.255 4.193 1.00 0.00 C ATOM 522 C SER 1 40 8.777 -0.248 2.670 1.00 0.00 C ATOM 523 O SER 1 40 9.506 0.515 2.036 1.00 0.00 O ATOM 524 CB SER 1 40 7.966 0.914 4.730 1.00 0.00 C ATOM 525 OG SER 1 40 6.597 0.566 4.823 1.00 0.00 O ATOM 0 H SER 1 40 10.448 0.747 4.995 1.00 0.00 H new ATOM 0 HA SER 1 40 8.350 -1.189 4.541 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.338 1.207 5.712 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.082 1.777 4.075 1.00 0.00 H new ATOM 0 HG SER 1 40 6.182 0.633 3.938 1.00 0.00 H new ATOM 531 N GLN 1 41 7.946 -1.103 2.087 1.00 0.00 N ATOM 532 CA GLN 1 41 7.844 -1.194 0.636 1.00 0.00 C ATOM 533 C GLN 1 41 6.726 -0.301 0.109 1.00 0.00 C ATOM 534 O GLN 1 41 6.918 0.453 -0.845 1.00 0.00 O ATOM 535 CB GLN 1 41 7.596 -2.643 0.213 1.00 0.00 C ATOM 536 CG GLN 1 41 8.815 -3.538 0.366 1.00 0.00 C ATOM 537 CD GLN 1 41 9.526 -3.784 -0.951 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.659 -4.924 -1.395 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.989 -2.711 -1.582 1.00 0.00 N ATOM 0 H GLN 1 41 7.334 -1.742 2.595 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.787 -0.852 0.209 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.779 -3.052 0.807 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.272 -2.659 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.510 -3.082 1.070 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.509 -4.493 0.794 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 9.856 -1.784 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.477 -2.814 -2.472 1.00 0.00 H new ATOM 548 N CYS 1 42 5.557 -0.398 0.730 1.00 0.00 N ATOM 549 CA CYS 1 42 4.403 0.394 0.320 1.00 0.00 C ATOM 550 C CYS 1 42 3.288 0.296 1.355 1.00 0.00 C ATOM 551 O CYS 1 42 3.160 -0.716 2.045 1.00 0.00 O ATOM 552 CB CYS 1 42 3.907 -0.087 -1.043 1.00 0.00 C ATOM 553 SG CYS 1 42 2.401 0.747 -1.628 1.00 0.00 S ATOM 0 H CYS 1 42 5.382 -1.018 1.521 1.00 0.00 H new ATOM 0 HA CYS 1 42 4.703 1.439 0.243 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.699 0.061 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.717 -1.159 -0.990 1.00 0.00 H new ATOM 558 N ASN 1 43 2.482 1.349 1.466 1.00 0.00 N ATOM 559 CA ASN 1 43 1.385 1.361 2.427 1.00 0.00 C ATOM 560 C ASN 1 43 0.030 1.316 1.733 1.00 0.00 C ATOM 561 O ASN 1 43 -0.943 0.806 2.289 1.00 0.00 O ATOM 562 CB ASN 1 43 1.459 2.596 3.325 1.00 0.00 C ATOM 563 CG ASN 1 43 0.364 2.617 4.375 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -0.811 2.803 4.060 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.746 2.425 5.632 1.00 0.00 N ATOM 0 H ASN 1 43 2.567 2.198 0.907 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.489 0.466 3.040 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.431 2.625 3.818 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 1.386 3.493 2.710 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.054 2.428 6.381 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.731 2.274 5.848 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.038 1.859 0.523 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.293 1.878 -0.224 1.00 0.00 C ATOM 574 C TYR 1 44 -1.102 1.367 -1.646 1.00 0.00 C ATOM 575 O TYR 1 44 -0.156 1.748 -2.334 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.887 3.293 -0.238 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.575 4.087 -1.489 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -2.144 3.749 -2.713 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.715 5.174 -1.443 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.862 4.471 -3.853 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.427 5.904 -2.582 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.003 5.548 -3.784 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.720 6.272 -4.919 1.00 0.00 O ATOM 0 H TYR 1 44 0.752 2.288 0.041 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.991 1.209 0.279 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.969 3.221 -0.128 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.514 3.840 0.628 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.818 2.907 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.263 5.455 -0.503 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.311 4.195 -4.795 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.245 6.748 -2.531 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.099 6.998 -4.698 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.019 0.518 -2.084 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.947 -0.027 -3.423 1.00 0.00 C ATOM 595 C GLY 1 45 -2.456 -1.450 -3.488 1.00 0.00 C ATOM 596 O GLY 1 45 -2.686 -2.083 -2.458 1.00 0.00 O ATOM 0 H GLY 1 45 -2.815 0.196 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.531 0.597 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.915 0.004 -3.771 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.632 -1.954 -4.702 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.119 -3.314 -4.902 1.00 0.00 C ATOM 602 C GLU 1 46 -2.255 -4.324 -4.152 1.00 0.00 C ATOM 603 O GLU 1 46 -2.724 -5.399 -3.778 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.134 -3.654 -6.392 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.345 -3.107 -7.128 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.260 -1.611 -7.361 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.507 -1.193 -8.266 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.946 -0.858 -6.638 1.00 0.00 O ATOM 0 H GLU 1 46 -2.445 -1.442 -5.564 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.134 -3.369 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.229 -3.260 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.107 -4.737 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.442 -3.615 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.245 -3.331 -6.556 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.989 -3.975 -3.944 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.061 -4.857 -3.247 1.00 0.00 C ATOM 617 C CYS 1 47 0.553 -4.173 -2.032 1.00 0.00 C ATOM 618 O CYS 1 47 1.730 -4.361 -1.742 1.00 0.00 O ATOM 619 CB CYS 1 47 1.056 -5.293 -4.193 1.00 0.00 C ATOM 620 SG CYS 1 47 0.634 -6.711 -5.245 1.00 0.00 S ATOM 0 H CYS 1 47 -0.584 -3.090 -4.248 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.624 -5.726 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.326 -4.451 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.938 -5.543 -3.604 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.234 -3.373 -1.327 1.00 0.00 N ATOM 626 CA CYS 1 48 0.273 -2.668 -0.156 1.00 0.00 C ATOM 627 C CYS 1 48 -0.598 -2.915 1.070 1.00 0.00 C ATOM 628 O CYS 1 48 -1.825 -2.845 1.002 1.00 0.00 O ATOM 629 CB CYS 1 48 0.366 -1.172 -0.449 1.00 0.00 C ATOM 630 SG CYS 1 48 1.144 -0.789 -2.052 1.00 0.00 S ATOM 0 H CYS 1 48 -1.216 -3.196 -1.541 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.268 -3.055 0.065 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.636 -0.744 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 0.935 -0.689 0.346 1.00 0.00 H new ATOM 635 N ASP 1 49 0.053 -3.206 2.193 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.649 -3.466 3.443 1.00 0.00 C ATOM 637 C ASP 1 49 0.251 -3.180 4.642 1.00 0.00 C ATOM 638 O ASP 1 49 1.250 -3.866 4.860 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.132 -4.917 3.489 1.00 0.00 C ATOM 640 CG ASP 1 49 0.012 -5.910 3.433 1.00 0.00 C ATOM 641 OD1 ASP 1 49 0.612 -6.064 2.349 1.00 0.00 O ATOM 642 OD2 ASP 1 49 0.308 -6.534 4.474 1.00 0.00 O ATOM 0 H ASP 1 49 1.069 -3.267 2.261 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.511 -2.801 3.491 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.704 -5.078 4.403 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -1.808 -5.098 2.653 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.112 -2.161 5.415 1.00 0.00 N ATOM 648 CA GLN 1 50 0.653 -1.773 6.596 1.00 0.00 C ATOM 649 C GLN 1 50 1.992 -1.153 6.205 1.00 0.00 C ATOM 650 O GLN 1 50 2.126 0.070 6.158 1.00 0.00 O ATOM 651 CB GLN 1 50 0.873 -2.979 7.517 1.00 0.00 C ATOM 652 CG GLN 1 50 0.084 -2.905 8.813 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.251 -4.274 9.371 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -1.413 -4.677 9.403 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.770 -4.998 9.815 1.00 0.00 N ATOM 0 H GLN 1 50 -0.937 -1.586 5.243 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.076 -1.022 7.136 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.596 -3.888 6.984 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.935 -3.058 7.751 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 0.658 -2.346 9.552 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.839 -2.351 8.641 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 1.718 -4.625 9.769 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.606 -5.928 10.202 1.00 0.00 H new ATOM 664 N CYS 1 51 2.984 -1.997 5.935 1.00 0.00 N ATOM 665 CA CYS 1 51 4.313 -1.515 5.562 1.00 0.00 C ATOM 666 C CYS 1 51 5.056 -2.517 4.675 1.00 0.00 C ATOM 667 O CYS 1 51 6.277 -2.437 4.533 1.00 0.00 O ATOM 668 CB CYS 1 51 5.144 -1.232 6.818 1.00 0.00 C ATOM 669 SG CYS 1 51 4.268 -0.290 8.111 1.00 0.00 S ATOM 0 H CYS 1 51 2.895 -3.013 5.967 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.176 -0.596 4.993 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.476 -2.181 7.240 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.039 -0.681 6.529 1.00 0.00 H new ATOM 674 N ARG 1 52 4.327 -3.458 4.080 1.00 0.00 N ATOM 675 CA ARG 1 52 4.945 -4.462 3.217 1.00 0.00 C ATOM 676 C ARG 1 52 4.043 -4.808 2.037 1.00 0.00 C ATOM 677 O ARG 1 52 2.875 -4.422 2.001 1.00 0.00 O ATOM 678 CB ARG 1 52 5.261 -5.726 4.018 1.00 0.00 C ATOM 679 CG ARG 1 52 6.510 -5.608 4.875 1.00 0.00 C ATOM 680 CD ARG 1 52 7.726 -6.189 4.172 1.00 0.00 C ATOM 681 NE ARG 1 52 8.922 -5.378 4.386 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.163 -5.821 4.195 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.375 -7.066 3.786 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.195 -5.017 4.413 1.00 0.00 N ATOM 0 H ARG 1 52 3.316 -3.547 4.178 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.872 -4.042 2.826 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.412 -5.961 4.659 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.381 -6.562 3.329 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.692 -4.560 5.112 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.353 -6.126 5.821 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.905 -7.201 4.534 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.525 -6.264 3.103 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.799 -4.415 4.700 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.585 -7.689 3.616 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.328 -7.400 3.641 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.038 -4.059 4.727 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 12.146 -5.356 4.267 1.00 0.00 H new ATOM 698 N PHE 1 53 4.593 -5.542 1.072 1.00 0.00 N ATOM 699 CA PHE 1 53 3.834 -5.941 -0.108 1.00 0.00 C ATOM 700 C PHE 1 53 2.896 -7.095 0.213 1.00 0.00 C ATOM 701 O PHE 1 53 3.209 -7.952 1.039 1.00 0.00 O ATOM 702 CB PHE 1 53 4.772 -6.348 -1.250 1.00 0.00 C ATOM 703 CG PHE 1 53 5.438 -5.187 -1.933 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.747 -4.009 -2.155 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.755 -5.276 -2.356 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.350 -2.942 -2.783 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.366 -4.210 -2.988 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.662 -3.040 -3.202 1.00 0.00 C ATOM 0 H PHE 1 53 5.558 -5.871 1.085 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.243 -5.081 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.539 -7.015 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.205 -6.915 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.720 -3.925 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.309 -6.188 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.797 -2.029 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.392 -4.291 -3.314 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.137 -2.205 -3.696 1.00 0.00 H new ATOM 718 N LYS 1 54 1.748 -7.117 -0.452 1.00 0.00 N ATOM 719 CA LYS 1 54 0.772 -8.179 -0.240 1.00 0.00 C ATOM 720 C LYS 1 54 1.338 -9.513 -0.703 1.00 0.00 C ATOM 721 O LYS 1 54 1.160 -9.906 -1.853 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.528 -7.872 -0.986 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.462 -6.945 -0.226 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.944 -7.579 1.069 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.279 -7.002 1.509 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.662 -7.463 2.872 1.00 0.00 N ATOM 0 H LYS 1 54 1.470 -6.416 -1.139 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.554 -8.238 0.826 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.287 -7.421 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -1.048 -8.807 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.948 -6.010 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -2.319 -6.697 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.039 -8.656 0.934 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.202 -7.420 1.851 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.226 -5.913 1.496 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.052 -7.292 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.578 -7.047 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.738 -8.500 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -2.938 -7.164 3.556 1.00 0.00 H new ATOM 740 N LYS 1 55 2.028 -10.197 0.207 1.00 0.00 N ATOM 741 CA LYS 1 55 2.650 -11.495 -0.080 1.00 0.00 C ATOM 742 C LYS 1 55 1.993 -12.199 -1.266 1.00 0.00 C ATOM 743 O LYS 1 55 0.772 -12.378 -1.297 1.00 0.00 O ATOM 744 CB LYS 1 55 2.582 -12.394 1.156 1.00 0.00 C ATOM 745 CG LYS 1 55 3.330 -13.707 0.995 1.00 0.00 C ATOM 746 CD LYS 1 55 4.732 -13.624 1.576 1.00 0.00 C ATOM 747 CE LYS 1 55 5.749 -13.221 0.522 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.981 -12.646 1.130 1.00 0.00 N ATOM 0 H LYS 1 55 2.174 -9.871 1.163 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.691 -11.305 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 2.991 -11.855 2.010 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.537 -12.606 1.384 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.777 -14.505 1.490 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.388 -13.967 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 4.747 -12.901 2.392 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.009 -14.589 2.000 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.013 -14.091 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.302 -12.491 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.650 -12.384 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 6.733 -11.801 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.422 -13.351 1.754 1.00 0.00 H new ATOM 762 N ALA 1 56 2.811 -12.589 -2.247 1.00 0.00 N ATOM 763 CA ALA 1 56 2.311 -13.268 -3.436 1.00 0.00 C ATOM 764 C ALA 1 56 1.220 -14.263 -3.074 1.00 0.00 C ATOM 765 O ALA 1 56 1.352 -15.030 -2.120 1.00 0.00 O ATOM 766 CB ALA 1 56 3.438 -13.975 -4.168 1.00 0.00 C ATOM 0 H ALA 1 56 3.821 -12.445 -2.238 1.00 0.00 H new ATOM 0 HA ALA 1 56 1.886 -12.512 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.041 -14.475 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.189 -13.246 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.894 -14.713 -3.508 1.00 0.00 H new ATOM 772 N GLY 1 57 0.135 -14.225 -3.825 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.980 -15.108 -3.555 1.00 0.00 C ATOM 774 C GLY 1 57 -2.179 -14.343 -3.036 1.00 0.00 C ATOM 775 O GLY 1 57 -3.285 -14.877 -2.965 1.00 0.00 O ATOM 0 H GLY 1 57 0.004 -13.598 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.253 -15.640 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.682 -15.859 -2.824 1.00 0.00 H new ATOM 779 N THR 1 58 -1.955 -13.079 -2.679 1.00 0.00 N ATOM 780 CA THR 1 58 -3.018 -12.222 -2.175 1.00 0.00 C ATOM 781 C THR 1 58 -3.866 -11.679 -3.325 1.00 0.00 C ATOM 782 O THR 1 58 -3.400 -10.857 -4.114 1.00 0.00 O ATOM 783 CB THR 1 58 -2.413 -11.060 -1.383 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.694 -11.540 -0.261 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.444 -10.075 -0.880 1.00 0.00 C ATOM 0 H THR 1 58 -1.042 -12.628 -2.731 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.660 -12.813 -1.521 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.756 -10.545 -2.084 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.812 -11.855 -0.548 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.947 -9.278 -0.328 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.983 -9.649 -1.726 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.147 -10.588 -0.223 1.00 0.00 H new ATOM 793 N VAL 1 59 -5.113 -12.135 -3.414 1.00 0.00 N ATOM 794 CA VAL 1 59 -6.014 -11.682 -4.463 1.00 0.00 C ATOM 795 C VAL 1 59 -6.424 -10.238 -4.226 1.00 0.00 C ATOM 796 O VAL 1 59 -7.193 -9.943 -3.311 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.285 -12.554 -4.546 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -8.022 -12.553 -3.217 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.192 -12.071 -5.669 1.00 0.00 C ATOM 0 H VAL 1 59 -5.519 -12.816 -2.773 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.472 -11.767 -5.405 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.986 -13.579 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.915 -13.173 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.371 -12.952 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.310 -11.533 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.083 -12.698 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.484 -11.038 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.660 -12.131 -6.618 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.913 -9.341 -5.055 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.238 -7.930 -4.927 1.00 0.00 C ATOM 811 C CYS 1 60 -7.517 -7.613 -5.697 1.00 0.00 C ATOM 812 O CYS 1 60 -8.353 -6.829 -5.247 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.076 -7.066 -5.428 1.00 0.00 C ATOM 814 SG CYS 1 60 -4.876 -7.048 -7.238 1.00 0.00 S ATOM 0 H CYS 1 60 -5.275 -9.564 -5.819 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.403 -7.702 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.224 -6.043 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.151 -7.425 -4.976 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.658 -8.240 -6.860 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.834 -8.047 -7.708 1.00 0.00 C ATOM 821 C ARG 1 61 -9.077 -9.267 -8.593 1.00 0.00 C ATOM 822 O ARG 1 61 -8.377 -10.274 -8.496 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.710 -6.780 -8.570 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.300 -6.474 -9.041 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.293 -5.842 -10.423 1.00 0.00 C ATOM 826 NE ARG 1 61 -5.996 -5.985 -11.084 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.025 -5.078 -11.030 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.180 -3.961 -10.330 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -3.888 -5.297 -11.676 1.00 0.00 N ATOM 0 H ARG 1 61 -6.970 -8.890 -7.240 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.691 -7.921 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -9.356 -6.884 -9.442 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -9.081 -5.929 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -6.817 -5.802 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.715 -7.393 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.066 -6.304 -11.037 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -7.543 -4.784 -10.339 1.00 0.00 H new ATOM 0 HE ARG 1 61 -5.825 -6.835 -11.621 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.051 -3.791 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.428 -3.272 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -3.762 -6.157 -12.210 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.139 -4.606 -11.639 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.079 -9.163 -9.455 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.429 -10.232 -10.375 1.00 0.00 C ATOM 845 C ILE 1 62 -11.221 -9.650 -11.533 1.00 0.00 C ATOM 846 O ILE 1 62 -12.159 -8.879 -11.332 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.247 -11.339 -9.687 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.858 -12.298 -10.716 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.326 -10.711 -8.837 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.843 -12.910 -11.657 1.00 0.00 C ATOM 0 H ILE 1 62 -10.670 -8.336 -9.535 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.506 -10.686 -10.736 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.581 -11.923 -9.051 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.380 -13.097 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.605 -11.761 -11.301 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.906 -11.494 -8.349 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.868 -10.073 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.983 -10.112 -9.467 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.350 -13.576 -12.355 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.338 -12.119 -12.212 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.109 -13.476 -11.083 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.818 -10.003 -12.739 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.467 -9.499 -13.945 1.00 0.00 C ATOM 864 C ALA 1 63 -12.995 -9.513 -13.817 1.00 0.00 C ATOM 865 O ALA 1 63 -13.586 -8.552 -13.326 1.00 0.00 O ATOM 866 CB ALA 1 63 -10.996 -10.272 -15.171 1.00 0.00 C ATOM 0 H ALA 1 63 -10.041 -10.640 -12.915 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.174 -8.457 -14.072 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.491 -9.881 -16.060 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -9.917 -10.161 -15.279 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.242 -11.327 -15.053 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.631 -10.595 -14.251 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.084 -10.706 -14.167 1.00 0.00 C ATOM 874 C ARG 1 64 -15.513 -12.128 -13.820 1.00 0.00 C ATOM 875 O ARG 1 64 -15.808 -12.928 -14.707 1.00 0.00 O ATOM 876 CB ARG 1 64 -15.725 -10.278 -15.489 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.046 -9.547 -15.316 1.00 0.00 C ATOM 878 CD ARG 1 64 -16.833 -8.109 -14.873 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.875 -7.660 -13.953 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.104 -7.319 -14.333 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.450 -7.375 -15.613 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -19.991 -6.922 -13.430 1.00 0.00 N ATOM 0 H ARG 1 64 -13.167 -11.405 -14.663 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.423 -10.044 -13.370 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.031 -9.634 -16.028 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -15.886 -11.161 -16.108 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.597 -9.561 -16.256 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.658 -10.069 -14.580 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -15.860 -8.019 -14.391 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.817 -7.459 -15.748 1.00 0.00 H new ATOM 0 HE ARG 1 64 -17.647 -7.605 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.772 -7.681 -16.312 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.393 -7.112 -15.898 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -19.731 -6.878 -12.445 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.933 -6.661 -13.721 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.561 -12.440 -12.532 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.964 -13.768 -12.116 1.00 0.00 C ATOM 898 C GLY 1 65 -14.895 -14.469 -11.311 1.00 0.00 C ATOM 899 O GLY 1 65 -14.695 -14.175 -10.133 1.00 0.00 O ATOM 0 H GLY 1 65 -15.329 -11.801 -11.772 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.875 -13.699 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.202 -14.365 -12.996 1.00 0.00 H new ATOM 903 N ASP 1 66 -14.203 -15.396 -11.958 1.00 0.00 N ATOM 904 CA ASP 1 66 -13.137 -16.146 -11.310 1.00 0.00 C ATOM 905 C ASP 1 66 -12.527 -17.162 -12.265 1.00 0.00 C ATOM 906 O ASP 1 66 -13.007 -18.289 -12.390 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.657 -16.850 -10.054 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.904 -17.669 -10.324 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.988 -17.067 -10.475 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -14.797 -18.911 -10.385 1.00 0.00 O ATOM 0 H ASP 1 66 -14.361 -15.647 -12.934 1.00 0.00 H new ATOM 0 HA ASP 1 66 -12.361 -15.438 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.878 -17.500 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.873 -16.106 -9.287 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.463 -16.745 -12.933 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.761 -17.595 -13.886 1.00 0.00 C ATOM 917 C TRP 1 67 -9.313 -17.775 -13.462 1.00 0.00 C ATOM 918 O TRP 1 67 -8.889 -18.856 -13.054 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.807 -16.973 -15.287 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.344 -15.568 -15.317 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.815 -14.451 -14.716 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.523 -15.134 -15.993 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.603 -13.363 -14.973 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.656 -13.753 -15.763 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.479 -15.784 -16.772 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.710 -13.014 -16.289 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.526 -15.050 -17.294 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.633 -13.677 -17.052 1.00 0.00 C ATOM 0 H TRP 1 67 -11.062 -15.813 -12.832 1.00 0.00 H new ATOM 0 HA TRP 1 67 -11.254 -18.567 -13.908 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.801 -16.975 -15.707 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.423 -17.600 -15.931 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.910 -14.435 -14.127 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.436 -12.416 -14.633 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.402 -16.844 -16.964 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -13.797 -11.954 -16.102 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.273 -15.544 -17.898 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.461 -13.128 -17.476 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.573 -16.685 -13.560 1.00 0.00 N ATOM 940 CA ASN 1 68 -7.169 -16.651 -13.194 1.00 0.00 C ATOM 941 C ASN 1 68 -7.001 -15.893 -11.884 1.00 0.00 C ATOM 942 O ASN 1 68 -6.054 -16.126 -11.133 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.356 -15.973 -14.301 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.929 -16.226 -15.685 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.028 -15.546 -16.006 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.392 -17.021 -16.456 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.932 -15.792 -13.898 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.806 -17.671 -13.066 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.322 -14.899 -14.116 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.328 -16.335 -14.266 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.551 -17.521 -16.169 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.788 -17.180 -17.382 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.939 -14.985 -11.621 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.920 -14.185 -10.407 1.00 0.00 C ATOM 955 C ASP 1 69 -6.685 -13.303 -10.355 1.00 0.00 C ATOM 956 O ASP 1 69 -5.575 -13.753 -10.635 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.957 -15.084 -9.178 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.370 -15.423 -8.747 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.940 -16.393 -9.289 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.908 -14.718 -7.867 1.00 0.00 O ATOM 0 H ASP 1 69 -8.725 -14.787 -12.240 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.804 -13.547 -10.414 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.415 -16.005 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.439 -14.591 -8.356 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.885 -12.048 -9.988 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.785 -11.104 -9.892 1.00 0.00 C ATOM 967 C ASP 1 70 -5.058 -11.281 -8.567 1.00 0.00 C ATOM 968 O ASP 1 70 -5.658 -11.160 -7.499 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.300 -9.672 -10.040 1.00 0.00 C ATOM 970 CG ASP 1 70 -7.421 -9.550 -11.056 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -7.591 -10.483 -11.869 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -8.128 -8.521 -11.040 1.00 0.00 O ATOM 0 H ASP 1 70 -7.798 -11.660 -9.752 1.00 0.00 H new ATOM 0 HA ASP 1 70 -5.081 -11.299 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.653 -9.316 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.476 -9.023 -10.336 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.770 -11.605 -8.640 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.986 -11.842 -7.436 1.00 0.00 C ATOM 979 C TYR 1 71 -1.717 -11.015 -7.366 1.00 0.00 C ATOM 980 O TYR 1 71 -1.174 -10.580 -8.381 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.615 -13.314 -7.356 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.739 -14.167 -6.856 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -4.030 -14.221 -5.508 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.512 -14.908 -7.731 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.065 -14.994 -5.034 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.551 -15.685 -7.272 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.827 -15.727 -5.920 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.864 -16.503 -5.455 1.00 0.00 O ATOM 0 H TYR 1 71 -3.252 -11.708 -9.513 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.612 -11.542 -6.596 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.312 -13.662 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.754 -13.432 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.435 -13.647 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.297 -14.877 -8.789 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.279 -15.027 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.147 -16.259 -7.966 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.299 -16.953 -6.209 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.242 -10.835 -6.139 1.00 0.00 N ATOM 999 CA CYS 1 72 -0.019 -10.097 -5.883 1.00 0.00 C ATOM 1000 C CYS 1 72 1.191 -11.001 -6.094 1.00 0.00 C ATOM 1001 O CYS 1 72 1.060 -12.225 -6.129 1.00 0.00 O ATOM 1002 CB CYS 1 72 -0.024 -9.554 -4.456 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.249 -8.294 -4.143 1.00 0.00 S ATOM 0 H CYS 1 72 -1.694 -11.196 -5.299 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.040 -9.260 -6.579 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -1.004 -9.127 -4.244 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.120 -10.382 -3.762 1.00 0.00 H new ATOM 1008 N THR 1 73 2.366 -10.400 -6.240 1.00 0.00 N ATOM 1009 CA THR 1 73 3.589 -11.166 -6.454 1.00 0.00 C ATOM 1010 C THR 1 73 4.593 -10.949 -5.322 1.00 0.00 C ATOM 1011 O THR 1 73 5.555 -11.705 -5.184 1.00 0.00 O ATOM 1012 CB THR 1 73 4.213 -10.787 -7.796 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.889 -9.545 -7.703 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.195 -10.675 -8.911 1.00 0.00 C ATOM 0 H THR 1 73 2.498 -9.389 -6.214 1.00 0.00 H new ATOM 0 HA THR 1 73 3.327 -12.224 -6.464 1.00 0.00 H new ATOM 0 HB THR 1 73 4.906 -11.594 -8.034 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.283 -9.321 -8.572 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.699 -10.403 -9.838 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.690 -11.632 -9.040 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.462 -9.909 -8.659 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.366 -9.918 -4.514 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.260 -9.631 -3.408 1.00 0.00 C ATOM 1024 C GLY 1 74 6.542 -8.958 -3.855 1.00 0.00 C ATOM 1025 O GLY 1 74 7.550 -9.000 -3.150 1.00 0.00 O ATOM 0 H GLY 1 74 3.579 -9.276 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.749 -8.990 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.502 -10.560 -2.891 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.507 -8.339 -5.030 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.679 -7.658 -5.568 1.00 0.00 C ATOM 1031 C LYS 1 75 7.377 -6.195 -5.897 1.00 0.00 C ATOM 1032 O LYS 1 75 8.276 -5.444 -6.277 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.179 -8.378 -6.821 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.391 -9.871 -6.620 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.774 -10.307 -7.080 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.812 -10.544 -8.581 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.183 -9.425 -9.336 1.00 0.00 N ATOM 0 H LYS 1 75 5.681 -8.295 -5.627 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.454 -7.679 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.462 -8.226 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.118 -7.926 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.262 -10.119 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.632 -10.425 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.505 -9.544 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.061 -11.220 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.846 -10.663 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.296 -11.475 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.377 -9.539 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.155 -9.433 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.577 -8.520 -9.008 1.00 0.00 H new ATOM 1051 N SER 1 76 6.116 -5.791 -5.755 1.00 0.00 N ATOM 1052 CA SER 1 76 5.728 -4.414 -6.047 1.00 0.00 C ATOM 1053 C SER 1 76 4.347 -4.091 -5.488 1.00 0.00 C ATOM 1054 O SER 1 76 3.670 -4.956 -4.933 1.00 0.00 O ATOM 1055 CB SER 1 76 5.746 -4.170 -7.557 1.00 0.00 C ATOM 1056 OG SER 1 76 7.044 -3.819 -8.003 1.00 0.00 O ATOM 0 H SER 1 76 5.353 -6.391 -5.443 1.00 0.00 H new ATOM 0 HA SER 1 76 6.451 -3.757 -5.564 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.410 -5.067 -8.077 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.045 -3.374 -7.808 1.00 0.00 H new ATOM 0 HG SER 1 76 7.714 -4.279 -7.455 1.00 0.00 H new ATOM 1062 N SER 1 77 3.936 -2.836 -5.649 1.00 0.00 N ATOM 1063 CA SER 1 77 2.633 -2.383 -5.174 1.00 0.00 C ATOM 1064 C SER 1 77 1.547 -2.644 -6.216 1.00 0.00 C ATOM 1065 O SER 1 77 0.421 -2.165 -6.085 1.00 0.00 O ATOM 1066 CB SER 1 77 2.680 -0.891 -4.833 1.00 0.00 C ATOM 1067 OG SER 1 77 3.448 -0.175 -5.785 1.00 0.00 O ATOM 0 H SER 1 77 4.490 -2.112 -6.107 1.00 0.00 H new ATOM 0 HA SER 1 77 2.389 -2.948 -4.274 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.667 -0.490 -4.802 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.107 -0.755 -3.840 1.00 0.00 H new ATOM 0 HG SER 1 77 3.461 0.775 -5.546 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.890 -3.413 -7.248 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.941 -3.738 -8.306 1.00 0.00 C ATOM 1075 C ASP 1 78 0.695 -5.243 -8.376 1.00 0.00 C ATOM 1076 O ASP 1 78 1.633 -6.033 -8.480 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.455 -3.231 -9.655 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.283 -1.733 -9.813 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.355 -1.173 -9.191 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.075 -1.120 -10.559 1.00 0.00 O ATOM 0 H ASP 1 78 2.817 -3.821 -7.372 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.003 -3.245 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.510 -3.486 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.924 -3.742 -10.458 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.575 -5.629 -8.319 1.00 0.00 N ATOM 1086 CA CYS 1 79 -0.957 -7.035 -8.376 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.640 -7.345 -9.714 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.723 -6.834 -9.995 1.00 0.00 O ATOM 1089 CB CYS 1 79 -1.875 -7.365 -7.186 1.00 0.00 C ATOM 1090 SG CYS 1 79 -3.360 -8.346 -7.582 1.00 0.00 S ATOM 0 H CYS 1 79 -1.361 -4.984 -8.233 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.067 -7.660 -8.308 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -1.292 -7.906 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -2.192 -6.430 -6.725 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.011 -8.183 -10.563 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.566 -8.544 -11.877 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.884 -9.305 -11.773 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.280 -9.736 -10.690 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.483 -9.437 -12.495 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.305 -9.942 -11.337 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.287 -8.838 -10.319 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.798 -7.658 -12.469 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.923 -10.258 -13.061 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.146 -8.875 -13.186 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.134 -10.854 -10.933 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.326 -10.184 -11.634 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.359 -9.225 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.119 -8.148 -10.457 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.558 -9.473 -12.910 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.832 -10.192 -12.945 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.611 -11.686 -13.114 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.472 -12.498 -12.774 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.738 -9.707 -14.081 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.331 -8.406 -14.695 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.336 -8.188 -15.605 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -5.931 -7.144 -14.445 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.281 -6.853 -15.926 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.256 -6.192 -15.224 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -6.977 -6.734 -13.631 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -5.599 -4.846 -15.210 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.323 -5.396 -13.612 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -6.635 -4.464 -14.400 1.00 0.00 C ATOM 0 H TRP 1 81 -3.245 -9.123 -13.816 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.320 -9.991 -11.992 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.760 -10.469 -14.860 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.755 -9.611 -13.700 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.689 -8.951 -16.012 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -3.624 -6.425 -16.578 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.512 -7.448 -13.023 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.068 -4.127 -15.816 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.135 -5.064 -12.981 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -6.927 -3.425 -14.368 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.459 -12.027 -13.670 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.090 -13.415 -13.935 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.681 -13.869 -15.266 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.000 -15.042 -15.452 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.563 -14.337 -12.807 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.496 -15.325 -12.371 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.388 -15.656 -11.190 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.700 -15.801 -13.322 1.00 0.00 N ATOM 0 H ASN 1 82 -2.750 -11.350 -13.952 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.003 -13.473 -13.987 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.864 -13.732 -11.951 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.446 -14.884 -13.137 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.965 -16.467 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.824 -15.500 -14.289 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.829 -12.920 -16.187 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.389 -13.203 -17.502 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.293 -13.286 -18.559 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.586 -13.756 -19.679 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.401 -12.119 -17.877 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.449 -11.917 -16.831 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -6.916 -12.756 -15.879 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.132 -10.732 -16.665 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -7.862 -12.070 -15.161 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -7.971 -10.852 -15.652 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -2.150 -12.881 -18.259 1.00 0.00 O ATOM 0 H HIS 1 83 -3.567 -11.945 -16.044 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.892 -14.169 -17.461 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -4.875 -11.179 -18.043 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -5.881 -12.387 -18.818 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.620 -13.720 -15.724 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.002 -9.845 -17.268 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.426 -12.464 -14.328 1.00 0.00 H new