USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= -0.379 (180deg=-0.501) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.065 USER MOD Single : A 15 HIS : no HD1:sc= -5.03! C(o=-5!,f=-3.7!) USER MOD Single : A 20 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 27 SER OG : rot -91:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 34 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.7) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00994 USER MOD Single : A 38 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -70:sc= 0.964 USER MOD Single : A 43 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -0.215 (180deg=-1.37!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 165:sc= -0.0202 (180deg=-0.409) USER MOD Single : A 52 SER OG : rot -1:sc= 0.442 USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0796) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 50:sc= 0.123 USER MOD Single : A 66 SER OG : rot 8:sc= 0.334 USER MOD Single : A 71 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : A 75 ASN : amide:sc= -5.98 K(o=-6,f=-20!) USER MOD Single : A 80 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 81 MET CE :methyl 167:sc= -4.01! (180deg=-4.51!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 46:sc= -0.704 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.595 0.303 8.890 1.00 0.00 N ATOM 12 CA GLN A 3 7.193 0.473 8.406 1.00 0.00 C ATOM 13 C GLN A 3 6.906 1.961 8.197 1.00 0.00 C ATOM 14 O GLN A 3 7.737 2.806 8.471 1.00 0.00 O ATOM 15 CB GLN A 3 6.218 -0.095 9.445 1.00 0.00 C ATOM 16 CG GLN A 3 6.475 0.546 10.817 1.00 0.00 C ATOM 17 CD GLN A 3 6.653 -0.546 11.877 1.00 0.00 C ATOM 18 OE1 GLN A 3 7.718 -0.694 12.441 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.645 -1.322 12.173 1.00 0.00 N ATOM 0 HA GLN A 3 7.067 -0.059 7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.191 0.095 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.336 -1.176 9.513 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.366 1.172 10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.642 1.195 11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.750 -1.198 11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.753 -2.052 12.878 1.00 0.00 H new ATOM 28 N LYS A 4 5.736 2.283 7.711 1.00 0.00 N ATOM 29 CA LYS A 4 5.385 3.716 7.477 1.00 0.00 C ATOM 30 C LYS A 4 3.862 3.876 7.495 1.00 0.00 C ATOM 31 O LYS A 4 3.129 2.907 7.540 1.00 0.00 O ATOM 32 CB LYS A 4 5.936 4.156 6.111 1.00 0.00 C ATOM 33 CG LYS A 4 7.121 5.117 6.302 1.00 0.00 C ATOM 34 CD LYS A 4 6.715 6.538 5.886 1.00 0.00 C ATOM 35 CE LYS A 4 7.874 7.211 5.148 1.00 0.00 C ATOM 36 NZ LYS A 4 7.471 8.585 4.734 1.00 0.00 N ATOM 0 H LYS A 4 5.006 1.614 7.465 1.00 0.00 H new ATOM 0 HA LYS A 4 5.822 4.335 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.254 3.283 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.151 4.645 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.441 5.111 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.971 4.783 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.835 6.502 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.444 7.121 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.752 7.257 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.152 6.623 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.196 8.985 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.561 8.543 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.374 9.187 5.576 1.00 0.00 H new ATOM 50 N THR A 5 3.387 5.094 7.456 1.00 0.00 N ATOM 51 CA THR A 5 1.914 5.332 7.465 1.00 0.00 C ATOM 52 C THR A 5 1.555 6.291 6.330 1.00 0.00 C ATOM 53 O THR A 5 2.126 7.359 6.209 1.00 0.00 O ATOM 54 CB THR A 5 1.500 5.946 8.805 1.00 0.00 C ATOM 55 OG1 THR A 5 2.013 5.153 9.866 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.026 5.997 8.894 1.00 0.00 C ATOM 0 H THR A 5 3.959 5.937 7.418 1.00 0.00 H new ATOM 0 HA THR A 5 1.390 4.386 7.327 1.00 0.00 H new ATOM 0 HB THR A 5 1.900 6.957 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.750 5.546 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.320 6.434 9.848 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.418 6.606 8.079 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.429 4.987 8.818 1.00 0.00 H new ATOM 64 N PHE A 6 0.621 5.915 5.495 1.00 0.00 N ATOM 65 CA PHE A 6 0.228 6.800 4.361 1.00 0.00 C ATOM 66 C PHE A 6 -1.218 7.259 4.537 1.00 0.00 C ATOM 67 O PHE A 6 -2.122 6.458 4.687 1.00 0.00 O ATOM 68 CB PHE A 6 0.371 6.031 3.047 1.00 0.00 C ATOM 69 CG PHE A 6 1.822 5.674 2.840 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.673 6.561 2.171 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.318 4.457 3.324 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.021 6.232 1.985 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.666 4.129 3.139 1.00 0.00 C ATOM 74 CZ PHE A 6 4.518 5.017 2.470 1.00 0.00 C ATOM 0 H PHE A 6 0.114 5.032 5.551 1.00 0.00 H new ATOM 0 HA PHE A 6 0.877 7.676 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.239 5.128 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.010 6.637 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.290 7.499 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.661 3.772 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.677 6.916 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.049 3.191 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.558 4.764 2.328 1.00 0.00 H new ATOM 84 N LYS A 7 -1.439 8.549 4.520 1.00 0.00 N ATOM 85 CA LYS A 7 -2.822 9.082 4.684 1.00 0.00 C ATOM 86 C LYS A 7 -3.444 9.302 3.303 1.00 0.00 C ATOM 87 O LYS A 7 -3.054 10.195 2.574 1.00 0.00 O ATOM 88 CB LYS A 7 -2.763 10.417 5.443 1.00 0.00 C ATOM 89 CG LYS A 7 -3.246 10.224 6.889 1.00 0.00 C ATOM 90 CD LYS A 7 -4.563 10.977 7.103 1.00 0.00 C ATOM 91 CE LYS A 7 -4.264 12.403 7.571 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.354 12.868 8.474 1.00 0.00 N ATOM 0 H LYS A 7 -0.716 9.258 4.399 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.429 8.372 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.743 10.801 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.384 11.158 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.386 9.163 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.491 10.589 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.136 11.000 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.174 10.460 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.307 12.433 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.180 13.069 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.151 13.837 8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.259 12.854 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.414 12.238 9.299 1.00 0.00 H new ATOM 106 N VAL A 8 -4.408 8.493 2.942 1.00 0.00 N ATOM 107 CA VAL A 8 -5.061 8.650 1.610 1.00 0.00 C ATOM 108 C VAL A 8 -6.148 9.723 1.702 1.00 0.00 C ATOM 109 O VAL A 8 -7.171 9.531 2.332 1.00 0.00 O ATOM 110 CB VAL A 8 -5.689 7.319 1.186 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.257 7.447 -0.230 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.620 6.225 1.208 1.00 0.00 C ATOM 0 H VAL A 8 -4.770 7.730 3.514 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.316 8.948 0.872 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.492 7.060 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.703 6.499 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.017 8.228 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.455 7.705 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.064 5.276 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.818 6.486 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.215 6.132 2.216 1.00 0.00 H new ATOM 122 N THR A 9 -5.929 10.850 1.075 1.00 0.00 N ATOM 123 CA THR A 9 -6.942 11.944 1.117 1.00 0.00 C ATOM 124 C THR A 9 -7.692 12.018 -0.221 1.00 0.00 C ATOM 125 O THR A 9 -8.318 13.014 -0.529 1.00 0.00 O ATOM 126 CB THR A 9 -6.235 13.277 1.374 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.373 13.143 2.496 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.273 14.365 1.653 1.00 0.00 C ATOM 0 H THR A 9 -5.090 11.059 0.535 1.00 0.00 H new ATOM 0 HA THR A 9 -7.655 11.741 1.916 1.00 0.00 H new ATOM 0 HB THR A 9 -5.652 13.554 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.917 13.995 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.767 15.313 1.836 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.934 14.467 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.859 14.092 2.530 1.00 0.00 H new ATOM 136 N ALA A 10 -7.636 10.974 -1.015 1.00 0.00 N ATOM 137 CA ALA A 10 -8.348 10.988 -2.326 1.00 0.00 C ATOM 138 C ALA A 10 -9.838 10.740 -2.096 1.00 0.00 C ATOM 139 O ALA A 10 -10.220 9.894 -1.310 1.00 0.00 O ATOM 140 CB ALA A 10 -7.780 9.890 -3.226 1.00 0.00 C ATOM 0 H ALA A 10 -7.127 10.115 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.210 11.957 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.300 9.900 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.717 10.066 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.918 8.920 -2.748 1.00 0.00 H new ATOM 146 N ASP A 11 -10.682 11.472 -2.776 1.00 0.00 N ATOM 147 CA ASP A 11 -12.153 11.285 -2.604 1.00 0.00 C ATOM 148 C ASP A 11 -12.554 9.876 -3.055 1.00 0.00 C ATOM 149 O ASP A 11 -13.540 9.330 -2.600 1.00 0.00 O ATOM 150 CB ASP A 11 -12.901 12.323 -3.444 1.00 0.00 C ATOM 151 CG ASP A 11 -12.434 12.237 -4.898 1.00 0.00 C ATOM 152 OD1 ASP A 11 -12.855 11.319 -5.582 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.662 13.091 -5.304 1.00 0.00 O ATOM 0 H ASP A 11 -10.414 12.194 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.411 11.412 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.975 12.148 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.719 13.323 -3.051 1.00 0.00 H new ATOM 158 N SER A 12 -11.798 9.288 -3.950 1.00 0.00 N ATOM 159 CA SER A 12 -12.134 7.917 -4.436 1.00 0.00 C ATOM 160 C SER A 12 -11.740 6.881 -3.379 1.00 0.00 C ATOM 161 O SER A 12 -12.366 5.846 -3.254 1.00 0.00 O ATOM 162 CB SER A 12 -11.371 7.635 -5.731 1.00 0.00 C ATOM 163 OG SER A 12 -10.049 8.145 -5.618 1.00 0.00 O ATOM 0 H SER A 12 -10.962 9.700 -4.364 1.00 0.00 H new ATOM 0 HA SER A 12 -13.206 7.854 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.344 6.563 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.881 8.099 -6.575 1.00 0.00 H new ATOM 0 HG SER A 12 -9.557 7.964 -6.446 1.00 0.00 H new ATOM 169 N GLY A 13 -10.705 7.151 -2.622 1.00 0.00 N ATOM 170 CA GLY A 13 -10.265 6.184 -1.577 1.00 0.00 C ATOM 171 C GLY A 13 -9.261 5.206 -2.189 1.00 0.00 C ATOM 172 O GLY A 13 -8.347 5.603 -2.887 1.00 0.00 O ATOM 0 H GLY A 13 -10.147 8.002 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.810 6.715 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.124 5.642 -1.181 1.00 0.00 H new ATOM 176 N ILE A 14 -9.426 3.934 -1.933 1.00 0.00 N ATOM 177 CA ILE A 14 -8.482 2.927 -2.498 1.00 0.00 C ATOM 178 C ILE A 14 -9.269 1.884 -3.294 1.00 0.00 C ATOM 179 O ILE A 14 -10.138 1.213 -2.771 1.00 0.00 O ATOM 180 CB ILE A 14 -7.722 2.251 -1.358 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.039 3.327 -0.509 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.664 1.307 -1.933 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.394 2.682 0.719 1.00 0.00 C ATOM 0 H ILE A 14 -10.175 3.550 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.770 3.419 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.416 1.678 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.283 3.844 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.768 4.076 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.124 0.826 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.149 0.546 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.965 1.875 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.909 3.450 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.160 2.185 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.652 1.950 0.398 1.00 0.00 H new ATOM 195 N HIS A 15 -8.972 1.754 -4.561 1.00 0.00 N ATOM 196 CA HIS A 15 -9.696 0.765 -5.415 1.00 0.00 C ATOM 197 C HIS A 15 -8.674 -0.086 -6.188 1.00 0.00 C ATOM 198 O HIS A 15 -7.501 -0.094 -5.866 1.00 0.00 O ATOM 199 CB HIS A 15 -10.658 1.497 -6.384 1.00 0.00 C ATOM 200 CG HIS A 15 -10.060 2.790 -6.887 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.843 3.026 -8.234 1.00 0.00 N ATOM 202 CD2 HIS A 15 -9.654 3.932 -6.237 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.330 4.264 -8.351 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.194 4.860 -7.164 1.00 0.00 N ATOM 0 H HIS A 15 -8.254 2.294 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.294 0.107 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.888 0.848 -7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.600 1.704 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.688 4.085 -5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.061 4.721 -9.292 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.831 5.795 -6.978 1.00 0.00 H new ATOM 212 N ALA A 16 -9.111 -0.827 -7.178 1.00 0.00 N ATOM 213 CA ALA A 16 -8.173 -1.705 -7.946 1.00 0.00 C ATOM 214 C ALA A 16 -7.171 -0.877 -8.766 1.00 0.00 C ATOM 215 O ALA A 16 -6.134 -1.379 -9.156 1.00 0.00 O ATOM 216 CB ALA A 16 -8.982 -2.593 -8.894 1.00 0.00 C ATOM 0 H ALA A 16 -10.082 -0.861 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.613 -2.311 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.305 -3.236 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.671 -3.209 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.547 -1.967 -9.585 1.00 0.00 H new ATOM 222 N ARG A 17 -7.468 0.369 -9.047 1.00 0.00 N ATOM 223 CA ARG A 17 -6.518 1.196 -9.860 1.00 0.00 C ATOM 224 C ARG A 17 -5.200 1.406 -9.083 1.00 0.00 C ATOM 225 O ARG A 17 -4.153 1.012 -9.561 1.00 0.00 O ATOM 226 CB ARG A 17 -7.158 2.551 -10.196 1.00 0.00 C ATOM 227 CG ARG A 17 -7.257 2.720 -11.715 1.00 0.00 C ATOM 228 CD ARG A 17 -8.636 2.260 -12.192 1.00 0.00 C ATOM 229 NE ARG A 17 -9.670 3.220 -11.715 1.00 0.00 N ATOM 230 CZ ARG A 17 -10.527 3.728 -12.558 1.00 0.00 C ATOM 231 NH1 ARG A 17 -10.109 4.238 -13.684 1.00 0.00 N ATOM 232 NH2 ARG A 17 -11.800 3.726 -12.275 1.00 0.00 N ATOM 0 H ARG A 17 -8.319 0.847 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.297 0.671 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.150 2.615 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.564 3.359 -9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.096 3.763 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.478 2.139 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.655 2.199 -13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.849 1.261 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.708 3.480 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.113 4.239 -13.905 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.778 4.635 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.126 3.327 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.470 4.123 -12.934 1.00 0.00 H new ATOM 246 N PRO A 18 -5.266 2.009 -7.907 1.00 0.00 N ATOM 247 CA PRO A 18 -4.056 2.242 -7.094 1.00 0.00 C ATOM 248 C PRO A 18 -3.546 0.925 -6.500 1.00 0.00 C ATOM 249 O PRO A 18 -2.389 0.808 -6.143 1.00 0.00 O ATOM 250 CB PRO A 18 -4.526 3.201 -5.997 1.00 0.00 C ATOM 251 CG PRO A 18 -6.057 3.028 -5.899 1.00 0.00 C ATOM 252 CD PRO A 18 -6.517 2.498 -7.268 1.00 0.00 C ATOM 0 HA PRO A 18 -3.227 2.650 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.047 2.969 -5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.266 4.231 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.320 2.331 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.542 3.976 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.249 1.697 -7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.988 3.282 -7.861 1.00 0.00 H new ATOM 260 N ALA A 19 -4.395 -0.069 -6.401 1.00 0.00 N ATOM 261 CA ALA A 19 -3.958 -1.381 -5.842 1.00 0.00 C ATOM 262 C ALA A 19 -3.139 -2.136 -6.894 1.00 0.00 C ATOM 263 O ALA A 19 -2.307 -2.961 -6.567 1.00 0.00 O ATOM 264 CB ALA A 19 -5.186 -2.208 -5.460 1.00 0.00 C ATOM 0 H ALA A 19 -5.374 -0.025 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.345 -1.213 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.866 -3.167 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.768 -1.671 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.800 -2.377 -6.344 1.00 0.00 H new ATOM 270 N THR A 20 -3.366 -1.855 -8.156 1.00 0.00 N ATOM 271 CA THR A 20 -2.600 -2.550 -9.231 1.00 0.00 C ATOM 272 C THR A 20 -1.230 -1.883 -9.381 1.00 0.00 C ATOM 273 O THR A 20 -0.250 -2.529 -9.699 1.00 0.00 O ATOM 274 CB THR A 20 -3.369 -2.456 -10.553 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.673 -2.993 -10.378 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.631 -3.246 -11.637 1.00 0.00 C ATOM 0 H THR A 20 -4.050 -1.173 -8.484 1.00 0.00 H new ATOM 0 HA THR A 20 -2.469 -3.600 -8.969 1.00 0.00 H new ATOM 0 HB THR A 20 -3.441 -1.412 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.307 -2.264 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.181 -3.177 -12.576 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.631 -2.833 -11.771 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.555 -4.291 -11.337 1.00 0.00 H new ATOM 284 N VAL A 21 -1.159 -0.596 -9.150 1.00 0.00 N ATOM 285 CA VAL A 21 0.145 0.118 -9.271 1.00 0.00 C ATOM 286 C VAL A 21 0.995 -0.155 -8.025 1.00 0.00 C ATOM 287 O VAL A 21 2.210 -0.177 -8.086 1.00 0.00 O ATOM 288 CB VAL A 21 -0.101 1.624 -9.398 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.221 2.334 -9.693 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.086 1.886 -10.540 1.00 0.00 C ATOM 0 H VAL A 21 -1.950 -0.010 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 21 0.670 -0.239 -10.157 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.517 2.004 -8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.046 3.406 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.923 2.148 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.638 1.954 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.261 2.958 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.670 1.506 -11.473 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.029 1.381 -10.330 1.00 0.00 H new ATOM 300 N LEU A 22 0.360 -0.362 -6.898 1.00 0.00 N ATOM 301 CA LEU A 22 1.121 -0.634 -5.644 1.00 0.00 C ATOM 302 C LEU A 22 1.598 -2.089 -5.641 1.00 0.00 C ATOM 303 O LEU A 22 2.682 -2.390 -5.183 1.00 0.00 O ATOM 304 CB LEU A 22 0.217 -0.391 -4.431 1.00 0.00 C ATOM 305 CG LEU A 22 0.028 1.112 -4.227 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.084 1.355 -3.205 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.334 1.725 -3.712 1.00 0.00 C ATOM 0 H LEU A 22 -0.655 -0.354 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 22 1.983 0.032 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.749 -0.872 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.659 -0.837 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.244 1.574 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.218 2.427 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.014 0.919 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.814 0.892 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.200 2.797 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.605 1.261 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.128 1.554 -4.439 1.00 0.00 H new ATOM 319 N VAL A 23 0.793 -2.988 -6.150 1.00 0.00 N ATOM 320 CA VAL A 23 1.196 -4.425 -6.182 1.00 0.00 C ATOM 321 C VAL A 23 2.326 -4.615 -7.203 1.00 0.00 C ATOM 322 O VAL A 23 3.166 -5.482 -7.058 1.00 0.00 O ATOM 323 CB VAL A 23 -0.019 -5.288 -6.569 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.508 -4.908 -7.968 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.373 -6.768 -6.552 1.00 0.00 C ATOM 0 H VAL A 23 -0.126 -2.787 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 23 1.551 -4.731 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.819 -5.114 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.368 -5.524 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.797 -3.857 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.292 -5.072 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.489 -7.376 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.179 -6.939 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.708 -7.044 -5.552 1.00 0.00 H new ATOM 335 N GLN A 24 2.339 -3.811 -8.236 1.00 0.00 N ATOM 336 CA GLN A 24 3.401 -3.936 -9.278 1.00 0.00 C ATOM 337 C GLN A 24 4.760 -3.556 -8.685 1.00 0.00 C ATOM 338 O GLN A 24 5.739 -4.253 -8.866 1.00 0.00 O ATOM 339 CB GLN A 24 3.080 -3.000 -10.445 1.00 0.00 C ATOM 340 CG GLN A 24 1.914 -3.570 -11.252 1.00 0.00 C ATOM 341 CD GLN A 24 2.456 -4.452 -12.379 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.049 -3.960 -13.319 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.279 -5.743 -12.321 1.00 0.00 N ATOM 0 H GLN A 24 1.657 -3.071 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 24 3.437 -4.967 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.826 -2.009 -10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.956 -2.885 -11.084 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.259 -4.152 -10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.314 -2.760 -11.666 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.781 -6.155 -11.532 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.638 -6.341 -13.065 1.00 0.00 H new ATOM 352 N THR A 25 4.825 -2.452 -7.984 1.00 0.00 N ATOM 353 CA THR A 25 6.121 -2.019 -7.384 1.00 0.00 C ATOM 354 C THR A 25 6.572 -3.042 -6.338 1.00 0.00 C ATOM 355 O THR A 25 7.723 -3.434 -6.301 1.00 0.00 O ATOM 356 CB THR A 25 5.944 -0.653 -6.715 1.00 0.00 C ATOM 357 OG1 THR A 25 5.070 0.148 -7.498 1.00 0.00 O ATOM 358 CG2 THR A 25 7.303 0.038 -6.596 1.00 0.00 C ATOM 0 H THR A 25 4.035 -1.832 -7.802 1.00 0.00 H new ATOM 0 HA THR A 25 6.874 -1.947 -8.169 1.00 0.00 H new ATOM 0 HB THR A 25 5.519 -0.788 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.955 1.022 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.176 1.010 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.972 -0.577 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.730 0.174 -7.589 1.00 0.00 H new ATOM 366 N ALA A 26 5.675 -3.468 -5.488 1.00 0.00 N ATOM 367 CA ALA A 26 6.039 -4.459 -4.433 1.00 0.00 C ATOM 368 C ALA A 26 6.476 -5.778 -5.077 1.00 0.00 C ATOM 369 O ALA A 26 7.246 -6.527 -4.504 1.00 0.00 O ATOM 370 CB ALA A 26 4.827 -4.710 -3.533 1.00 0.00 C ATOM 0 H ALA A 26 4.700 -3.170 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 26 6.863 -4.062 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.090 -5.434 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.522 -3.774 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.004 -5.101 -4.131 1.00 0.00 H new ATOM 376 N SER A 27 5.994 -6.070 -6.261 1.00 0.00 N ATOM 377 CA SER A 27 6.385 -7.344 -6.937 1.00 0.00 C ATOM 378 C SER A 27 7.880 -7.307 -7.259 1.00 0.00 C ATOM 379 O SER A 27 8.551 -8.322 -7.247 1.00 0.00 O ATOM 380 CB SER A 27 5.579 -7.513 -8.228 1.00 0.00 C ATOM 381 OG SER A 27 6.122 -6.678 -9.243 1.00 0.00 O ATOM 0 H SER A 27 5.348 -5.481 -6.787 1.00 0.00 H new ATOM 0 HA SER A 27 6.177 -8.186 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.602 -8.554 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.534 -7.256 -8.052 1.00 0.00 H new ATOM 0 HG SER A 27 5.670 -5.809 -9.228 1.00 0.00 H new ATOM 387 N LYS A 28 8.402 -6.141 -7.543 1.00 0.00 N ATOM 388 CA LYS A 28 9.854 -6.024 -7.864 1.00 0.00 C ATOM 389 C LYS A 28 10.684 -6.441 -6.646 1.00 0.00 C ATOM 390 O LYS A 28 11.807 -6.891 -6.777 1.00 0.00 O ATOM 391 CB LYS A 28 10.170 -4.573 -8.230 1.00 0.00 C ATOM 392 CG LYS A 28 9.504 -4.234 -9.565 1.00 0.00 C ATOM 393 CD LYS A 28 10.131 -2.965 -10.143 1.00 0.00 C ATOM 394 CE LYS A 28 9.701 -1.756 -9.309 1.00 0.00 C ATOM 395 NZ LYS A 28 9.943 -0.507 -10.085 1.00 0.00 N ATOM 0 H LYS A 28 7.883 -5.263 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 28 10.099 -6.675 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.810 -3.902 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.248 -4.430 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.624 -5.062 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.433 -4.090 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.218 -3.052 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.821 -2.833 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.646 -1.837 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.259 -1.729 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.651 0.315 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.955 -0.430 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.392 -0.534 -10.967 1.00 0.00 H new ATOM 409 N TYR A 29 10.138 -6.295 -5.463 1.00 0.00 N ATOM 410 CA TYR A 29 10.888 -6.683 -4.233 1.00 0.00 C ATOM 411 C TYR A 29 10.352 -8.016 -3.712 1.00 0.00 C ATOM 412 O TYR A 29 9.157 -8.241 -3.671 1.00 0.00 O ATOM 413 CB TYR A 29 10.707 -5.606 -3.161 1.00 0.00 C ATOM 414 CG TYR A 29 11.095 -4.264 -3.731 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.186 -3.553 -4.522 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.365 -3.735 -3.475 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.546 -2.311 -5.057 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.725 -2.493 -4.009 1.00 0.00 C ATOM 419 CZ TYR A 29 11.816 -1.780 -4.801 1.00 0.00 C ATOM 420 OH TYR A 29 12.171 -0.556 -5.328 1.00 0.00 O ATOM 0 H TYR A 29 9.203 -5.923 -5.299 1.00 0.00 H new ATOM 0 HA TYR A 29 11.947 -6.783 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.671 -5.584 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.322 -5.836 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.206 -3.963 -4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.067 -4.285 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.844 -1.762 -5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.705 -2.084 -3.810 1.00 0.00 H new ATOM 0 HH TYR A 29 13.085 -0.334 -5.053 1.00 0.00 H new ATOM 430 N ASP A 30 11.231 -8.899 -3.315 1.00 0.00 N ATOM 431 CA ASP A 30 10.786 -10.226 -2.794 1.00 0.00 C ATOM 432 C ASP A 30 10.483 -10.140 -1.290 1.00 0.00 C ATOM 433 O ASP A 30 10.101 -11.122 -0.679 1.00 0.00 O ATOM 434 CB ASP A 30 11.890 -11.257 -3.031 1.00 0.00 C ATOM 435 CG ASP A 30 12.095 -11.450 -4.535 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.128 -11.764 -5.209 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.216 -11.280 -4.987 1.00 0.00 O ATOM 0 H ASP A 30 12.241 -8.758 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 30 9.878 -10.524 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.818 -10.924 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.622 -12.205 -2.565 1.00 0.00 H new ATOM 442 N ALA A 31 10.647 -8.985 -0.683 1.00 0.00 N ATOM 443 CA ALA A 31 10.365 -8.856 0.776 1.00 0.00 C ATOM 444 C ALA A 31 8.879 -9.113 1.036 1.00 0.00 C ATOM 445 O ALA A 31 8.141 -9.487 0.143 1.00 0.00 O ATOM 446 CB ALA A 31 10.728 -7.445 1.244 1.00 0.00 C ATOM 0 H ALA A 31 10.964 -8.130 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 31 10.960 -9.586 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.522 -7.351 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.787 -7.262 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.134 -6.715 0.694 1.00 0.00 H new ATOM 452 N ASP A 32 8.437 -8.914 2.252 1.00 0.00 N ATOM 453 CA ASP A 32 6.999 -9.145 2.579 1.00 0.00 C ATOM 454 C ASP A 32 6.292 -7.800 2.758 1.00 0.00 C ATOM 455 O ASP A 32 6.361 -7.189 3.808 1.00 0.00 O ATOM 456 CB ASP A 32 6.891 -9.950 3.875 1.00 0.00 C ATOM 457 CG ASP A 32 7.213 -11.419 3.594 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.232 -11.675 2.975 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.433 -12.265 4.002 1.00 0.00 O ATOM 0 H ASP A 32 9.012 -8.601 3.034 1.00 0.00 H new ATOM 0 HA ASP A 32 6.529 -9.699 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.580 -9.552 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.887 -9.860 4.289 1.00 0.00 H new ATOM 464 N VAL A 33 5.611 -7.341 1.740 1.00 0.00 N ATOM 465 CA VAL A 33 4.893 -6.037 1.839 1.00 0.00 C ATOM 466 C VAL A 33 3.426 -6.293 2.193 1.00 0.00 C ATOM 467 O VAL A 33 2.674 -6.830 1.401 1.00 0.00 O ATOM 468 CB VAL A 33 4.973 -5.305 0.497 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.401 -3.895 0.648 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.436 -5.213 0.051 1.00 0.00 C ATOM 0 H VAL A 33 5.522 -7.816 0.842 1.00 0.00 H new ATOM 0 HA VAL A 33 5.355 -5.425 2.613 1.00 0.00 H new ATOM 0 HB VAL A 33 4.397 -5.854 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.458 -3.375 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.360 -3.957 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.976 -3.347 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.493 -4.692 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.010 -4.665 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.847 -6.217 -0.058 1.00 0.00 H new ATOM 480 N ASN A 34 3.017 -5.916 3.379 1.00 0.00 N ATOM 481 CA ASN A 34 1.600 -6.138 3.792 1.00 0.00 C ATOM 482 C ASN A 34 0.911 -4.792 4.024 1.00 0.00 C ATOM 483 O ASN A 34 1.534 -3.825 4.425 1.00 0.00 O ATOM 484 CB ASN A 34 1.564 -6.954 5.087 1.00 0.00 C ATOM 485 CG ASN A 34 2.402 -8.224 4.919 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.594 -8.696 3.816 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.911 -8.800 5.973 1.00 0.00 N ATOM 0 H ASN A 34 3.605 -5.464 4.079 1.00 0.00 H new ATOM 0 HA ASN A 34 1.079 -6.681 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.950 -6.359 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.535 -7.215 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.470 -9.647 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.750 -8.403 6.899 1.00 0.00 H new ATOM 494 N LEU A 35 -0.373 -4.729 3.778 1.00 0.00 N ATOM 495 CA LEU A 35 -1.125 -3.458 3.980 1.00 0.00 C ATOM 496 C LEU A 35 -2.142 -3.652 5.109 1.00 0.00 C ATOM 497 O LEU A 35 -2.932 -4.575 5.087 1.00 0.00 O ATOM 498 CB LEU A 35 -1.858 -3.093 2.688 1.00 0.00 C ATOM 499 CG LEU A 35 -2.439 -1.683 2.810 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.303 -0.660 2.788 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.383 -1.421 1.634 1.00 0.00 C ATOM 0 H LEU A 35 -0.935 -5.511 3.443 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.434 -2.657 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.172 -3.143 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.655 -3.811 2.495 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.989 -1.595 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.716 0.345 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.628 -0.848 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.754 -0.746 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.799 -0.417 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.831 -1.508 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.192 -2.151 1.647 1.00 0.00 H new ATOM 513 N GLU A 36 -2.120 -2.791 6.095 1.00 0.00 N ATOM 514 CA GLU A 36 -3.078 -2.925 7.233 1.00 0.00 C ATOM 515 C GLU A 36 -4.119 -1.805 7.172 1.00 0.00 C ATOM 516 O GLU A 36 -3.839 -0.707 6.732 1.00 0.00 O ATOM 517 CB GLU A 36 -2.313 -2.834 8.554 1.00 0.00 C ATOM 518 CG GLU A 36 -3.153 -3.448 9.675 1.00 0.00 C ATOM 519 CD GLU A 36 -2.229 -4.086 10.714 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.205 -3.493 11.011 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.561 -5.157 11.197 1.00 0.00 O ATOM 0 H GLU A 36 -1.479 -2.000 6.161 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.583 -3.889 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.360 -3.357 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.086 -1.793 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.770 -2.681 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.831 -4.197 9.267 1.00 0.00 H new ATOM 528 N TYR A 37 -5.319 -2.080 7.619 1.00 0.00 N ATOM 529 CA TYR A 37 -6.390 -1.040 7.599 1.00 0.00 C ATOM 530 C TYR A 37 -7.494 -1.422 8.590 1.00 0.00 C ATOM 531 O TYR A 37 -7.881 -2.565 8.680 1.00 0.00 O ATOM 532 CB TYR A 37 -6.984 -0.936 6.194 1.00 0.00 C ATOM 533 CG TYR A 37 -7.915 0.250 6.147 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.391 1.545 6.122 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.300 0.054 6.142 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.249 2.647 6.090 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.162 1.158 6.108 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.636 2.454 6.082 1.00 0.00 C ATOM 539 OH TYR A 37 -10.484 3.542 6.051 1.00 0.00 O ATOM 0 H TYR A 37 -5.603 -2.984 7.998 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.961 -0.079 7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.190 -0.822 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.523 -1.849 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.321 1.694 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.704 -0.947 6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.843 3.648 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.232 1.009 6.102 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.414 3.232 6.048 1.00 0.00 H new ATOM 549 N ASN A 38 -7.994 -0.459 9.322 1.00 0.00 N ATOM 550 CA ASN A 38 -9.075 -0.713 10.320 1.00 0.00 C ATOM 551 C ASN A 38 -8.551 -1.649 11.420 1.00 0.00 C ATOM 552 O ASN A 38 -8.088 -1.199 12.452 1.00 0.00 O ATOM 553 CB ASN A 38 -10.306 -1.312 9.614 1.00 0.00 C ATOM 554 CG ASN A 38 -11.412 -1.589 10.637 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.830 -2.717 10.809 1.00 0.00 O ATOM 556 ND2 ASN A 38 -11.909 -0.600 11.329 1.00 0.00 N ATOM 0 H ASN A 38 -7.691 0.513 9.268 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.376 0.225 10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.669 -0.623 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.030 -2.236 9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.646 -0.775 12.012 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.560 0.348 11.187 1.00 0.00 H new ATOM 563 N GLY A 39 -8.615 -2.936 11.209 1.00 0.00 N ATOM 564 CA GLY A 39 -8.120 -3.899 12.235 1.00 0.00 C ATOM 565 C GLY A 39 -7.899 -5.262 11.587 1.00 0.00 C ATOM 566 O GLY A 39 -8.045 -6.291 12.219 1.00 0.00 O ATOM 0 H GLY A 39 -8.992 -3.365 10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.189 -3.536 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.841 -3.983 13.048 1.00 0.00 H new ATOM 570 N LYS A 40 -7.537 -5.270 10.331 1.00 0.00 N ATOM 571 CA LYS A 40 -7.290 -6.558 9.631 1.00 0.00 C ATOM 572 C LYS A 40 -6.016 -6.441 8.802 1.00 0.00 C ATOM 573 O LYS A 40 -5.724 -5.406 8.232 1.00 0.00 O ATOM 574 CB LYS A 40 -8.463 -6.891 8.711 1.00 0.00 C ATOM 575 CG LYS A 40 -9.589 -7.527 9.529 1.00 0.00 C ATOM 576 CD LYS A 40 -9.142 -8.902 10.030 1.00 0.00 C ATOM 577 CE LYS A 40 -10.369 -9.726 10.425 1.00 0.00 C ATOM 578 NZ LYS A 40 -9.971 -10.768 11.412 1.00 0.00 N ATOM 0 H LYS A 40 -7.402 -4.435 9.761 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.182 -7.352 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.822 -5.986 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.140 -7.574 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.846 -6.887 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.486 -7.625 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.579 -9.419 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.475 -8.790 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.133 -9.077 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.806 -10.194 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.805 -11.328 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.256 -11.393 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.574 -10.311 12.258 1.00 0.00 H new ATOM 592 N THR A 41 -5.261 -7.499 8.734 1.00 0.00 N ATOM 593 CA THR A 41 -3.994 -7.477 7.946 1.00 0.00 C ATOM 594 C THR A 41 -4.176 -8.289 6.661 1.00 0.00 C ATOM 595 O THR A 41 -4.404 -9.483 6.700 1.00 0.00 O ATOM 596 CB THR A 41 -2.864 -8.086 8.779 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.979 -7.646 10.124 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.514 -7.646 8.211 1.00 0.00 C ATOM 0 H THR A 41 -5.467 -8.386 9.193 1.00 0.00 H new ATOM 0 HA THR A 41 -3.743 -6.447 7.692 1.00 0.00 H new ATOM 0 HB THR A 41 -2.933 -9.173 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.759 -6.693 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.710 -8.080 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.426 -7.985 7.179 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.442 -6.559 8.244 1.00 0.00 H new ATOM 606 N VAL A 42 -4.073 -7.647 5.525 1.00 0.00 N ATOM 607 CA VAL A 42 -4.236 -8.372 4.231 1.00 0.00 C ATOM 608 C VAL A 42 -2.953 -8.241 3.410 1.00 0.00 C ATOM 609 O VAL A 42 -2.102 -7.420 3.698 1.00 0.00 O ATOM 610 CB VAL A 42 -5.405 -7.770 3.448 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.715 -8.061 4.181 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.214 -6.257 3.327 1.00 0.00 C ATOM 0 H VAL A 42 -3.882 -6.649 5.439 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.437 -9.425 4.429 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.440 -8.213 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.547 -7.632 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.853 -9.139 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.680 -7.620 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.047 -5.829 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.178 -5.814 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.281 -6.049 2.803 1.00 0.00 H new ATOM 622 N ASN A 43 -2.811 -9.044 2.388 1.00 0.00 N ATOM 623 CA ASN A 43 -1.588 -8.977 1.537 1.00 0.00 C ATOM 624 C ASN A 43 -1.619 -7.699 0.698 1.00 0.00 C ATOM 625 O ASN A 43 -2.588 -7.418 0.016 1.00 0.00 O ATOM 626 CB ASN A 43 -1.544 -10.194 0.610 1.00 0.00 C ATOM 627 CG ASN A 43 -0.089 -10.557 0.311 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.788 -10.315 1.117 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.208 -11.132 -0.822 1.00 0.00 N ATOM 0 H ASN A 43 -3.494 -9.747 2.105 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.703 -8.972 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.052 -11.038 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.073 -9.977 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.176 -11.378 -1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.527 -11.335 -1.499 1.00 0.00 H new ATOM 636 N LEU A 44 -0.564 -6.925 0.742 1.00 0.00 N ATOM 637 CA LEU A 44 -0.520 -5.661 -0.052 1.00 0.00 C ATOM 638 C LEU A 44 -0.620 -5.982 -1.547 1.00 0.00 C ATOM 639 O LEU A 44 -1.030 -5.154 -2.338 1.00 0.00 O ATOM 640 CB LEU A 44 0.794 -4.929 0.227 1.00 0.00 C ATOM 641 CG LEU A 44 0.669 -3.466 -0.208 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.450 -2.574 0.761 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.232 -3.302 -1.622 1.00 0.00 C ATOM 0 H LEU A 44 0.271 -7.115 1.296 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.359 -5.027 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.034 -4.984 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.611 -5.410 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.381 -3.175 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.360 -1.533 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.046 -2.688 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.501 -2.865 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.143 -2.260 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.282 -3.594 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.673 -3.934 -2.312 1.00 0.00 H new ATOM 655 N LYS A 45 -0.249 -7.179 -1.939 1.00 0.00 N ATOM 656 CA LYS A 45 -0.324 -7.554 -3.383 1.00 0.00 C ATOM 657 C LYS A 45 -1.674 -8.222 -3.670 1.00 0.00 C ATOM 658 O LYS A 45 -1.743 -9.255 -4.311 1.00 0.00 O ATOM 659 CB LYS A 45 0.813 -8.528 -3.711 1.00 0.00 C ATOM 660 CG LYS A 45 2.164 -7.839 -3.491 1.00 0.00 C ATOM 661 CD LYS A 45 2.731 -8.241 -2.128 1.00 0.00 C ATOM 662 CE LYS A 45 4.252 -8.080 -2.140 1.00 0.00 C ATOM 663 NZ LYS A 45 4.840 -8.981 -3.170 1.00 0.00 N ATOM 0 H LYS A 45 0.102 -7.910 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.228 -6.660 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.739 -9.414 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.730 -8.864 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.859 -8.119 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.044 -6.757 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.295 -7.621 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.466 -9.274 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.517 -7.044 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.661 -8.317 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.615 -9.531 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.108 -9.630 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.208 -8.412 -3.959 1.00 0.00 H new ATOM 677 N SER A 46 -2.749 -7.637 -3.200 1.00 0.00 N ATOM 678 CA SER A 46 -4.095 -8.230 -3.442 1.00 0.00 C ATOM 679 C SER A 46 -5.005 -7.184 -4.091 1.00 0.00 C ATOM 680 O SER A 46 -5.081 -6.055 -3.644 1.00 0.00 O ATOM 681 CB SER A 46 -4.700 -8.673 -2.110 1.00 0.00 C ATOM 682 OG SER A 46 -5.642 -9.712 -2.345 1.00 0.00 O ATOM 0 H SER A 46 -2.749 -6.773 -2.658 1.00 0.00 H new ATOM 0 HA SER A 46 -4.000 -9.090 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.915 -9.023 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.186 -7.830 -1.620 1.00 0.00 H new ATOM 0 HG SER A 46 -6.031 -10.000 -1.493 1.00 0.00 H new ATOM 688 N ILE A 47 -5.696 -7.555 -5.138 1.00 0.00 N ATOM 689 CA ILE A 47 -6.607 -6.592 -5.821 1.00 0.00 C ATOM 690 C ILE A 47 -8.043 -6.845 -5.359 1.00 0.00 C ATOM 691 O ILE A 47 -8.832 -5.929 -5.223 1.00 0.00 O ATOM 692 CB ILE A 47 -6.517 -6.782 -7.337 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.052 -6.692 -7.781 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.332 -5.690 -8.036 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.471 -8.100 -7.933 1.00 0.00 C ATOM 0 H ILE A 47 -5.667 -8.488 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.314 -5.573 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.915 -7.761 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.981 -6.155 -8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.474 -6.127 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.269 -5.824 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.374 -5.756 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.934 -4.711 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.430 -8.032 -8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.527 -8.622 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.042 -8.650 -8.681 1.00 0.00 H new ATOM 707 N MET A 48 -8.380 -8.084 -5.112 1.00 0.00 N ATOM 708 CA MET A 48 -9.760 -8.414 -4.652 1.00 0.00 C ATOM 709 C MET A 48 -9.821 -8.342 -3.124 1.00 0.00 C ATOM 710 O MET A 48 -10.862 -8.081 -2.549 1.00 0.00 O ATOM 711 CB MET A 48 -10.125 -9.829 -5.110 1.00 0.00 C ATOM 712 CG MET A 48 -11.646 -9.960 -5.204 1.00 0.00 C ATOM 713 SD MET A 48 -12.066 -11.451 -6.141 1.00 0.00 S ATOM 714 CE MET A 48 -11.559 -12.656 -4.891 1.00 0.00 C ATOM 0 H MET A 48 -7.755 -8.884 -5.210 1.00 0.00 H new ATOM 0 HA MET A 48 -10.465 -7.700 -5.078 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.671 -10.037 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.729 -10.563 -4.408 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.080 -10.011 -4.205 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.068 -9.081 -5.691 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.969 -13.634 -5.141 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.471 -12.715 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.931 -12.346 -3.914 1.00 0.00 H new ATOM 724 N GLY A 49 -8.712 -8.570 -2.463 1.00 0.00 N ATOM 725 CA GLY A 49 -8.696 -8.516 -0.971 1.00 0.00 C ATOM 726 C GLY A 49 -9.072 -7.109 -0.500 1.00 0.00 C ATOM 727 O GLY A 49 -9.631 -6.934 0.567 1.00 0.00 O ATOM 0 H GLY A 49 -7.815 -8.792 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.396 -9.245 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.707 -8.782 -0.599 1.00 0.00 H new ATOM 731 N VAL A 50 -8.769 -6.107 -1.288 1.00 0.00 N ATOM 732 CA VAL A 50 -9.107 -4.707 -0.891 1.00 0.00 C ATOM 733 C VAL A 50 -10.621 -4.502 -0.977 1.00 0.00 C ATOM 734 O VAL A 50 -11.188 -3.712 -0.245 1.00 0.00 O ATOM 735 CB VAL A 50 -8.404 -3.725 -1.830 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.616 -2.296 -1.327 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.906 -4.036 -1.863 1.00 0.00 C ATOM 0 H VAL A 50 -8.302 -6.199 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.775 -4.531 0.132 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.819 -3.822 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.115 -1.597 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.683 -2.074 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.202 -2.198 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.404 -3.337 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.492 -3.939 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.754 -5.054 -2.221 1.00 0.00 H new ATOM 747 N VAL A 51 -11.277 -5.206 -1.865 1.00 0.00 N ATOM 748 CA VAL A 51 -12.757 -5.056 -2.005 1.00 0.00 C ATOM 749 C VAL A 51 -13.436 -5.477 -0.698 1.00 0.00 C ATOM 750 O VAL A 51 -14.407 -4.879 -0.275 1.00 0.00 O ATOM 751 CB VAL A 51 -13.255 -5.943 -3.152 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.753 -5.709 -3.367 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.502 -5.592 -4.438 1.00 0.00 C ATOM 0 H VAL A 51 -10.850 -5.880 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.000 -4.016 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.079 -6.989 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.106 -6.340 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.295 -5.958 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.926 -4.662 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.858 -6.224 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.677 -4.546 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.435 -5.756 -4.291 1.00 0.00 H new ATOM 763 N SER A 52 -12.927 -6.499 -0.058 1.00 0.00 N ATOM 764 CA SER A 52 -13.533 -6.965 1.225 1.00 0.00 C ATOM 765 C SER A 52 -13.232 -5.947 2.328 1.00 0.00 C ATOM 766 O SER A 52 -13.999 -5.782 3.258 1.00 0.00 O ATOM 767 CB SER A 52 -12.940 -8.322 1.605 1.00 0.00 C ATOM 768 OG SER A 52 -11.525 -8.265 1.489 1.00 0.00 O ATOM 0 H SER A 52 -12.115 -7.032 -0.370 1.00 0.00 H new ATOM 0 HA SER A 52 -14.612 -7.062 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.223 -8.583 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.339 -9.101 0.955 1.00 0.00 H new ATOM 0 HG SER A 52 -11.258 -7.376 1.173 1.00 0.00 H new ATOM 774 N LEU A 53 -12.117 -5.267 2.230 1.00 0.00 N ATOM 775 CA LEU A 53 -11.753 -4.256 3.266 1.00 0.00 C ATOM 776 C LEU A 53 -12.786 -3.128 3.266 1.00 0.00 C ATOM 777 O LEU A 53 -13.351 -2.793 4.290 1.00 0.00 O ATOM 778 CB LEU A 53 -10.371 -3.681 2.952 1.00 0.00 C ATOM 779 CG LEU A 53 -9.292 -4.576 3.561 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.918 -4.132 3.055 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.336 -4.460 5.086 1.00 0.00 C ATOM 0 H LEU A 53 -11.441 -5.370 1.473 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.736 -4.732 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.232 -3.610 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.287 -2.670 3.351 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.470 -5.611 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.147 -4.769 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.887 -4.213 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.740 -3.097 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.567 -5.098 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.157 -3.425 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.315 -4.774 5.447 1.00 0.00 H new ATOM 793 N GLY A 54 -13.034 -2.539 2.122 1.00 0.00 N ATOM 794 CA GLY A 54 -14.027 -1.431 2.044 1.00 0.00 C ATOM 795 C GLY A 54 -13.358 -0.114 2.443 1.00 0.00 C ATOM 796 O GLY A 54 -13.825 0.586 3.322 1.00 0.00 O ATOM 0 H GLY A 54 -12.588 -2.781 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.425 -1.356 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.870 -1.637 2.704 1.00 0.00 H new ATOM 800 N ILE A 55 -12.268 0.225 1.803 1.00 0.00 N ATOM 801 CA ILE A 55 -11.561 1.494 2.138 1.00 0.00 C ATOM 802 C ILE A 55 -12.148 2.635 1.310 1.00 0.00 C ATOM 803 O ILE A 55 -12.493 2.466 0.155 1.00 0.00 O ATOM 804 CB ILE A 55 -10.071 1.351 1.825 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.520 0.102 2.516 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.324 2.583 2.339 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.119 -0.200 1.984 1.00 0.00 C ATOM 0 H ILE A 55 -11.837 -0.326 1.060 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.687 1.710 3.199 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.934 1.261 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.485 0.256 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.180 -0.747 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.262 2.483 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.715 3.476 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.463 2.669 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.727 -1.090 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.167 -0.372 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.463 0.646 2.187 1.00 0.00 H new ATOM 819 N ALA A 56 -12.264 3.794 1.898 1.00 0.00 N ATOM 820 CA ALA A 56 -12.830 4.963 1.163 1.00 0.00 C ATOM 821 C ALA A 56 -11.906 6.173 1.332 1.00 0.00 C ATOM 822 O ALA A 56 -10.797 6.056 1.817 1.00 0.00 O ATOM 823 CB ALA A 56 -14.213 5.297 1.726 1.00 0.00 C ATOM 0 H ALA A 56 -11.990 3.984 2.862 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.916 4.718 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.628 6.151 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.872 4.438 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.126 5.541 2.785 1.00 0.00 H new ATOM 829 N LYS A 57 -12.359 7.333 0.929 1.00 0.00 N ATOM 830 CA LYS A 57 -11.520 8.563 1.054 1.00 0.00 C ATOM 831 C LYS A 57 -11.183 8.818 2.527 1.00 0.00 C ATOM 832 O LYS A 57 -11.958 8.506 3.412 1.00 0.00 O ATOM 833 CB LYS A 57 -12.286 9.764 0.485 1.00 0.00 C ATOM 834 CG LYS A 57 -13.619 9.932 1.224 1.00 0.00 C ATOM 835 CD LYS A 57 -14.385 11.118 0.635 1.00 0.00 C ATOM 836 CE LYS A 57 -13.791 12.425 1.164 1.00 0.00 C ATOM 837 NZ LYS A 57 -14.287 12.671 2.547 1.00 0.00 N ATOM 0 H LYS A 57 -13.280 7.481 0.516 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.594 8.424 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.687 10.669 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.467 9.619 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.213 9.022 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.440 10.093 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.330 11.096 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.440 11.052 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.702 12.370 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.070 13.254 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.433 13.691 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.188 12.170 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.587 12.324 3.234 1.00 0.00 H new ATOM 851 N GLY A 58 -10.033 9.384 2.789 1.00 0.00 N ATOM 852 CA GLY A 58 -9.635 9.668 4.200 1.00 0.00 C ATOM 853 C GLY A 58 -9.436 8.349 4.948 1.00 0.00 C ATOM 854 O GLY A 58 -9.975 8.148 6.020 1.00 0.00 O ATOM 0 H GLY A 58 -9.351 9.662 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.715 10.252 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.402 10.266 4.692 1.00 0.00 H new ATOM 858 N ALA A 59 -8.667 7.451 4.386 1.00 0.00 N ATOM 859 CA ALA A 59 -8.428 6.140 5.054 1.00 0.00 C ATOM 860 C ALA A 59 -6.982 6.076 5.558 1.00 0.00 C ATOM 861 O ALA A 59 -6.054 6.417 4.851 1.00 0.00 O ATOM 862 CB ALA A 59 -8.676 5.010 4.052 1.00 0.00 C ATOM 0 H ALA A 59 -8.194 7.572 3.490 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.107 6.031 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.502 4.049 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.706 5.057 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.997 5.118 3.206 1.00 0.00 H new ATOM 868 N GLU A 60 -6.790 5.638 6.778 1.00 0.00 N ATOM 869 CA GLU A 60 -5.410 5.543 7.339 1.00 0.00 C ATOM 870 C GLU A 60 -4.876 4.124 7.132 1.00 0.00 C ATOM 871 O GLU A 60 -5.468 3.161 7.580 1.00 0.00 O ATOM 872 CB GLU A 60 -5.443 5.862 8.838 1.00 0.00 C ATOM 873 CG GLU A 60 -5.729 7.354 9.047 1.00 0.00 C ATOM 874 CD GLU A 60 -7.194 7.551 9.449 1.00 0.00 C ATOM 875 OE1 GLU A 60 -8.023 6.779 8.994 1.00 0.00 O ATOM 876 OE2 GLU A 60 -7.461 8.471 10.203 1.00 0.00 O ATOM 0 H GLU A 60 -7.533 5.342 7.410 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.761 6.256 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.210 5.263 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.490 5.598 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.073 7.754 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.516 7.906 8.132 1.00 0.00 H new ATOM 883 N ILE A 61 -3.765 3.991 6.452 1.00 0.00 N ATOM 884 CA ILE A 61 -3.190 2.634 6.207 1.00 0.00 C ATOM 885 C ILE A 61 -1.768 2.564 6.770 1.00 0.00 C ATOM 886 O ILE A 61 -1.088 3.566 6.887 1.00 0.00 O ATOM 887 CB ILE A 61 -3.155 2.363 4.702 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.408 3.501 3.996 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.586 2.280 4.165 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.270 3.184 2.504 1.00 0.00 C ATOM 0 H ILE A 61 -3.231 4.765 6.056 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.809 1.885 6.701 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.642 1.420 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.946 4.439 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.422 3.633 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.562 2.087 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.117 1.471 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.100 3.223 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.739 3.996 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.713 2.256 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.260 3.075 2.062 1.00 0.00 H new ATOM 902 N THR A 62 -1.318 1.384 7.112 1.00 0.00 N ATOM 903 CA THR A 62 0.061 1.233 7.663 1.00 0.00 C ATOM 904 C THR A 62 0.784 0.116 6.910 1.00 0.00 C ATOM 905 O THR A 62 0.372 -1.029 6.936 1.00 0.00 O ATOM 906 CB THR A 62 -0.016 0.885 9.150 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.846 1.830 9.813 1.00 0.00 O ATOM 908 CG2 THR A 62 1.386 0.921 9.759 1.00 0.00 C ATOM 0 H THR A 62 -1.848 0.516 7.033 1.00 0.00 H new ATOM 0 HA THR A 62 0.608 2.168 7.542 1.00 0.00 H new ATOM 0 HB THR A 62 -0.435 -0.115 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.898 1.608 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.329 0.673 10.819 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.022 0.197 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.808 1.919 9.643 1.00 0.00 H new ATOM 916 N ILE A 63 1.855 0.443 6.236 1.00 0.00 N ATOM 917 CA ILE A 63 2.614 -0.588 5.470 1.00 0.00 C ATOM 918 C ILE A 63 3.723 -1.170 6.351 1.00 0.00 C ATOM 919 O ILE A 63 4.226 -0.519 7.244 1.00 0.00 O ATOM 920 CB ILE A 63 3.228 0.063 4.222 1.00 0.00 C ATOM 921 CG1 ILE A 63 2.104 0.602 3.331 1.00 0.00 C ATOM 922 CG2 ILE A 63 4.050 -0.969 3.438 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.702 1.373 2.150 1.00 0.00 C ATOM 0 H ILE A 63 2.239 1.387 6.183 1.00 0.00 H new ATOM 0 HA ILE A 63 1.942 -1.391 5.168 1.00 0.00 H new ATOM 0 HB ILE A 63 3.883 0.879 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.490 -0.222 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.450 1.255 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.481 -0.496 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.850 -1.353 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.404 -1.791 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.898 1.754 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.297 2.207 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.337 0.708 1.565 1.00 0.00 H new ATOM 935 N SER A 64 4.111 -2.391 6.087 1.00 0.00 N ATOM 936 CA SER A 64 5.195 -3.031 6.886 1.00 0.00 C ATOM 937 C SER A 64 5.966 -4.004 5.989 1.00 0.00 C ATOM 938 O SER A 64 5.420 -4.979 5.507 1.00 0.00 O ATOM 939 CB SER A 64 4.586 -3.795 8.063 1.00 0.00 C ATOM 940 OG SER A 64 3.427 -4.491 7.623 1.00 0.00 O ATOM 0 H SER A 64 3.720 -2.975 5.347 1.00 0.00 H new ATOM 0 HA SER A 64 5.870 -2.265 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.313 -4.497 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.326 -3.104 8.865 1.00 0.00 H new ATOM 0 HG SER A 64 3.639 -5.001 6.814 1.00 0.00 H new ATOM 946 N ALA A 65 7.228 -3.741 5.756 1.00 0.00 N ATOM 947 CA ALA A 65 8.037 -4.641 4.882 1.00 0.00 C ATOM 948 C ALA A 65 8.924 -5.540 5.746 1.00 0.00 C ATOM 949 O ALA A 65 9.473 -5.112 6.743 1.00 0.00 O ATOM 950 CB ALA A 65 8.917 -3.796 3.958 1.00 0.00 C ATOM 0 H ALA A 65 7.733 -2.940 6.135 1.00 0.00 H new ATOM 0 HA ALA A 65 7.368 -5.261 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.509 -4.452 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.287 -3.158 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.583 -3.176 4.557 1.00 0.00 H new ATOM 956 N SER A 66 9.066 -6.783 5.366 1.00 0.00 N ATOM 957 CA SER A 66 9.915 -7.723 6.155 1.00 0.00 C ATOM 958 C SER A 66 10.516 -8.776 5.221 1.00 0.00 C ATOM 959 O SER A 66 9.841 -9.691 4.790 1.00 0.00 O ATOM 960 CB SER A 66 9.059 -8.413 7.217 1.00 0.00 C ATOM 961 OG SER A 66 8.778 -7.493 8.264 1.00 0.00 O ATOM 0 H SER A 66 8.628 -7.189 4.539 1.00 0.00 H new ATOM 0 HA SER A 66 10.718 -7.167 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.130 -8.773 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.582 -9.284 7.613 1.00 0.00 H new ATOM 0 HG SER A 66 9.088 -6.600 8.007 1.00 0.00 H new ATOM 967 N GLY A 67 11.781 -8.653 4.909 1.00 0.00 N ATOM 968 CA GLY A 67 12.436 -9.645 4.004 1.00 0.00 C ATOM 969 C GLY A 67 13.887 -9.232 3.750 1.00 0.00 C ATOM 970 O GLY A 67 14.556 -8.716 4.625 1.00 0.00 O ATOM 0 H GLY A 67 12.390 -7.906 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.404 -10.638 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.894 -9.704 3.060 1.00 0.00 H new ATOM 974 N ALA A 68 14.376 -9.458 2.556 1.00 0.00 N ATOM 975 CA ALA A 68 15.784 -9.082 2.233 1.00 0.00 C ATOM 976 C ALA A 68 15.828 -7.627 1.764 1.00 0.00 C ATOM 977 O ALA A 68 16.537 -6.810 2.320 1.00 0.00 O ATOM 978 CB ALA A 68 16.313 -9.994 1.123 1.00 0.00 C ATOM 0 H ALA A 68 13.858 -9.888 1.790 1.00 0.00 H new ATOM 0 HA ALA A 68 16.404 -9.195 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.341 -9.720 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.281 -11.031 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.694 -9.881 0.233 1.00 0.00 H new ATOM 984 N ASP A 69 15.071 -7.298 0.749 1.00 0.00 N ATOM 985 CA ASP A 69 15.059 -5.893 0.241 1.00 0.00 C ATOM 986 C ASP A 69 13.833 -5.167 0.796 1.00 0.00 C ATOM 987 O ASP A 69 13.212 -4.368 0.119 1.00 0.00 O ATOM 988 CB ASP A 69 15.006 -5.892 -1.293 1.00 0.00 C ATOM 989 CG ASP A 69 13.878 -6.806 -1.779 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.879 -6.907 -1.085 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.033 -7.391 -2.839 1.00 0.00 O ATOM 0 H ASP A 69 14.459 -7.943 0.249 1.00 0.00 H new ATOM 0 HA ASP A 69 15.966 -5.384 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.846 -4.878 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.960 -6.231 -1.698 1.00 0.00 H new ATOM 996 N GLU A 70 13.480 -5.444 2.026 1.00 0.00 N ATOM 997 CA GLU A 70 12.294 -4.780 2.639 1.00 0.00 C ATOM 998 C GLU A 70 12.560 -3.278 2.778 1.00 0.00 C ATOM 999 O GLU A 70 11.646 -2.476 2.740 1.00 0.00 O ATOM 1000 CB GLU A 70 12.030 -5.385 4.020 1.00 0.00 C ATOM 1001 CG GLU A 70 13.288 -5.269 4.890 1.00 0.00 C ATOM 1002 CD GLU A 70 13.122 -4.116 5.884 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.150 -4.131 6.620 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.970 -3.239 5.893 1.00 0.00 O ATOM 0 H GLU A 70 13.966 -6.105 2.633 1.00 0.00 H new ATOM 0 HA GLU A 70 11.423 -4.933 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.197 -4.870 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.742 -6.431 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.459 -6.203 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.162 -5.098 4.262 1.00 0.00 H new ATOM 1011 N ASN A 71 13.801 -2.895 2.939 1.00 0.00 N ATOM 1012 CA ASN A 71 14.132 -1.446 3.082 1.00 0.00 C ATOM 1013 C ASN A 71 13.899 -0.727 1.752 1.00 0.00 C ATOM 1014 O ASN A 71 13.382 0.373 1.718 1.00 0.00 O ATOM 1015 CB ASN A 71 15.598 -1.291 3.492 1.00 0.00 C ATOM 1016 CG ASN A 71 15.702 -1.268 5.017 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.209 -2.194 5.618 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.243 -0.237 5.673 1.00 0.00 N ATOM 0 H ASN A 71 14.601 -3.526 2.978 1.00 0.00 H new ATOM 0 HA ASN A 71 13.491 -1.008 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.188 -2.114 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.008 -0.371 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.310 -0.209 6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.817 0.540 5.168 1.00 0.00 H new ATOM 1025 N ASP A 72 14.279 -1.336 0.659 1.00 0.00 N ATOM 1026 CA ASP A 72 14.084 -0.686 -0.671 1.00 0.00 C ATOM 1027 C ASP A 72 12.602 -0.728 -1.069 1.00 0.00 C ATOM 1028 O ASP A 72 12.167 0.021 -1.922 1.00 0.00 O ATOM 1029 CB ASP A 72 14.914 -1.425 -1.724 1.00 0.00 C ATOM 1030 CG ASP A 72 16.379 -1.466 -1.288 1.00 0.00 C ATOM 1031 OD1 ASP A 72 17.063 -0.475 -1.488 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.792 -2.485 -0.762 1.00 0.00 O ATOM 0 H ASP A 72 14.717 -2.257 0.630 1.00 0.00 H new ATOM 0 HA ASP A 72 14.406 0.354 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.535 -2.438 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.825 -0.925 -2.688 1.00 0.00 H new ATOM 1037 N ALA A 73 11.830 -1.604 -0.471 1.00 0.00 N ATOM 1038 CA ALA A 73 10.383 -1.700 -0.829 1.00 0.00 C ATOM 1039 C ALA A 73 9.577 -0.610 -0.112 1.00 0.00 C ATOM 1040 O ALA A 73 8.708 0.006 -0.697 1.00 0.00 O ATOM 1041 CB ALA A 73 9.851 -3.075 -0.420 1.00 0.00 C ATOM 0 H ALA A 73 12.141 -2.256 0.249 1.00 0.00 H new ATOM 0 HA ALA A 73 10.278 -1.563 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.795 -3.149 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.409 -3.851 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.970 -3.206 0.656 1.00 0.00 H new ATOM 1047 N LEU A 74 9.842 -0.383 1.150 1.00 0.00 N ATOM 1048 CA LEU A 74 9.069 0.654 1.906 1.00 0.00 C ATOM 1049 C LEU A 74 9.403 2.059 1.391 1.00 0.00 C ATOM 1050 O LEU A 74 8.529 2.899 1.273 1.00 0.00 O ATOM 1051 CB LEU A 74 9.388 0.561 3.403 1.00 0.00 C ATOM 1052 CG LEU A 74 10.889 0.743 3.637 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.194 2.219 3.920 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.322 -0.105 4.835 1.00 0.00 C ATOM 0 H LEU A 74 10.558 -0.869 1.690 1.00 0.00 H new ATOM 0 HA LEU A 74 8.006 0.469 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.833 1.324 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.067 -0.406 3.791 1.00 0.00 H new ATOM 0 HG LEU A 74 11.434 0.427 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.264 2.344 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.886 2.824 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.649 2.539 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.391 0.023 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.774 0.212 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.110 -1.155 4.633 1.00 0.00 H new ATOM 1066 N ASN A 75 10.651 2.329 1.088 1.00 0.00 N ATOM 1067 CA ASN A 75 11.017 3.693 0.587 1.00 0.00 C ATOM 1068 C ASN A 75 10.662 3.822 -0.896 1.00 0.00 C ATOM 1069 O ASN A 75 10.408 4.907 -1.385 1.00 0.00 O ATOM 1070 CB ASN A 75 12.516 3.960 0.782 1.00 0.00 C ATOM 1071 CG ASN A 75 13.351 2.766 0.315 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.957 2.039 -0.572 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.506 2.538 0.883 1.00 0.00 N ATOM 0 H ASN A 75 11.426 1.670 1.165 1.00 0.00 H new ATOM 0 HA ASN A 75 10.452 4.429 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.806 4.851 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.719 4.161 1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.076 1.748 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.837 3.150 1.629 1.00 0.00 H new ATOM 1080 N ALA A 76 10.636 2.728 -1.610 1.00 0.00 N ATOM 1081 CA ALA A 76 10.290 2.783 -3.062 1.00 0.00 C ATOM 1082 C ALA A 76 8.776 2.965 -3.221 1.00 0.00 C ATOM 1083 O ALA A 76 8.308 3.526 -4.196 1.00 0.00 O ATOM 1084 CB ALA A 76 10.719 1.481 -3.741 1.00 0.00 C ATOM 0 H ALA A 76 10.840 1.796 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 76 10.809 3.622 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.466 1.523 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.795 1.350 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.202 0.641 -3.277 1.00 0.00 H new ATOM 1090 N LEU A 77 8.011 2.502 -2.264 1.00 0.00 N ATOM 1091 CA LEU A 77 6.529 2.648 -2.344 1.00 0.00 C ATOM 1092 C LEU A 77 6.131 4.027 -1.817 1.00 0.00 C ATOM 1093 O LEU A 77 5.123 4.583 -2.209 1.00 0.00 O ATOM 1094 CB LEU A 77 5.864 1.561 -1.495 1.00 0.00 C ATOM 1095 CG LEU A 77 5.868 0.238 -2.265 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.937 -0.933 -1.279 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.588 0.131 -3.097 1.00 0.00 C ATOM 0 H LEU A 77 8.353 2.028 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 77 6.204 2.546 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.396 1.446 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.841 1.849 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 77 6.736 0.205 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.940 -1.873 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.849 -0.857 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.071 -0.903 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.589 -0.810 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.721 0.165 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.541 0.962 -3.801 1.00 0.00 H new ATOM 1109 N GLU A 78 6.919 4.581 -0.931 1.00 0.00 N ATOM 1110 CA GLU A 78 6.604 5.925 -0.374 1.00 0.00 C ATOM 1111 C GLU A 78 6.731 6.971 -1.488 1.00 0.00 C ATOM 1112 O GLU A 78 5.879 7.824 -1.647 1.00 0.00 O ATOM 1113 CB GLU A 78 7.590 6.237 0.757 1.00 0.00 C ATOM 1114 CG GLU A 78 7.292 7.621 1.357 1.00 0.00 C ATOM 1115 CD GLU A 78 8.366 8.620 0.916 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.391 8.687 1.575 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.146 9.299 -0.073 1.00 0.00 O ATOM 0 H GLU A 78 7.772 4.155 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 78 5.588 5.944 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.518 5.474 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.611 6.210 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.309 7.964 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.266 7.558 2.445 1.00 0.00 H new ATOM 1124 N GLU A 79 7.790 6.906 -2.255 1.00 0.00 N ATOM 1125 CA GLU A 79 7.980 7.893 -3.360 1.00 0.00 C ATOM 1126 C GLU A 79 6.946 7.638 -4.460 1.00 0.00 C ATOM 1127 O GLU A 79 6.492 8.556 -5.117 1.00 0.00 O ATOM 1128 CB GLU A 79 9.394 7.761 -3.937 1.00 0.00 C ATOM 1129 CG GLU A 79 9.643 6.319 -4.398 1.00 0.00 C ATOM 1130 CD GLU A 79 9.549 6.238 -5.924 1.00 0.00 C ATOM 1131 OE1 GLU A 79 8.450 6.367 -6.438 1.00 0.00 O ATOM 1132 OE2 GLU A 79 10.578 6.048 -6.552 1.00 0.00 O ATOM 0 H GLU A 79 8.531 6.211 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 79 7.848 8.901 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.518 8.446 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.130 8.043 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.627 5.987 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.911 5.651 -3.944 1.00 0.00 H new ATOM 1139 N THR A 80 6.566 6.400 -4.660 1.00 0.00 N ATOM 1140 CA THR A 80 5.557 6.082 -5.714 1.00 0.00 C ATOM 1141 C THR A 80 4.177 6.586 -5.275 1.00 0.00 C ATOM 1142 O THR A 80 3.324 6.875 -6.092 1.00 0.00 O ATOM 1143 CB THR A 80 5.499 4.568 -5.924 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.815 4.068 -6.114 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.646 4.253 -7.154 1.00 0.00 C ATOM 0 H THR A 80 6.912 5.596 -4.137 1.00 0.00 H new ATOM 0 HA THR A 80 5.843 6.570 -6.646 1.00 0.00 H new ATOM 0 HB THR A 80 5.054 4.096 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.232 3.905 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.606 3.174 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.637 4.637 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.087 4.724 -8.033 1.00 0.00 H new ATOM 1153 N MET A 81 3.953 6.683 -3.988 1.00 0.00 N ATOM 1154 CA MET A 81 2.631 7.157 -3.481 1.00 0.00 C ATOM 1155 C MET A 81 2.457 8.648 -3.784 1.00 0.00 C ATOM 1156 O MET A 81 1.513 9.049 -4.436 1.00 0.00 O ATOM 1157 CB MET A 81 2.564 6.939 -1.966 1.00 0.00 C ATOM 1158 CG MET A 81 1.928 5.575 -1.668 1.00 0.00 C ATOM 1159 SD MET A 81 0.168 5.786 -1.292 1.00 0.00 S ATOM 1160 CE MET A 81 -0.406 4.225 -2.003 1.00 0.00 C ATOM 0 H MET A 81 4.634 6.453 -3.264 1.00 0.00 H new ATOM 0 HA MET A 81 1.837 6.596 -3.974 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.565 6.986 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.980 7.733 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.049 4.912 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.435 5.103 -0.826 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.430 4.034 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.371 4.286 -3.091 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.237 3.413 -1.665 1.00 0.00 H new ATOM 1170 N LYS A 82 3.356 9.472 -3.306 1.00 0.00 N ATOM 1171 CA LYS A 82 3.244 10.943 -3.548 1.00 0.00 C ATOM 1172 C LYS A 82 3.218 11.236 -5.053 1.00 0.00 C ATOM 1173 O LYS A 82 2.586 12.177 -5.495 1.00 0.00 O ATOM 1174 CB LYS A 82 4.441 11.656 -2.914 1.00 0.00 C ATOM 1175 CG LYS A 82 4.439 11.413 -1.404 1.00 0.00 C ATOM 1176 CD LYS A 82 5.341 12.442 -0.718 1.00 0.00 C ATOM 1177 CE LYS A 82 6.741 11.852 -0.533 1.00 0.00 C ATOM 1178 NZ LYS A 82 7.754 12.941 -0.626 1.00 0.00 N ATOM 0 H LYS A 82 4.166 9.187 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 82 2.318 11.304 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.370 11.289 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.392 12.725 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.424 11.487 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.790 10.404 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.394 13.351 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.922 12.721 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.813 11.355 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.933 11.096 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.706 12.541 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.690 13.396 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.574 13.647 0.116 1.00 0.00 H new ATOM 1192 N SER A 83 3.901 10.441 -5.837 1.00 0.00 N ATOM 1193 CA SER A 83 3.920 10.675 -7.312 1.00 0.00 C ATOM 1194 C SER A 83 2.521 10.452 -7.890 1.00 0.00 C ATOM 1195 O SER A 83 2.116 11.113 -8.828 1.00 0.00 O ATOM 1196 CB SER A 83 4.899 9.703 -7.970 1.00 0.00 C ATOM 1197 OG SER A 83 4.854 8.459 -7.285 1.00 0.00 O ATOM 0 H SER A 83 4.446 9.640 -5.519 1.00 0.00 H new ATOM 0 HA SER A 83 4.233 11.700 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.641 9.563 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.909 10.111 -7.942 1.00 0.00 H new ATOM 0 HG SER A 83 3.920 8.206 -7.128 1.00 0.00 H new ATOM 1203 N GLU A 84 1.784 9.521 -7.339 1.00 0.00 N ATOM 1204 CA GLU A 84 0.410 9.243 -7.856 1.00 0.00 C ATOM 1205 C GLU A 84 -0.642 10.014 -7.042 1.00 0.00 C ATOM 1206 O GLU A 84 -1.821 9.947 -7.339 1.00 0.00 O ATOM 1207 CB GLU A 84 0.129 7.743 -7.755 1.00 0.00 C ATOM 1208 CG GLU A 84 0.597 7.049 -9.037 1.00 0.00 C ATOM 1209 CD GLU A 84 2.110 6.831 -8.976 1.00 0.00 C ATOM 1210 OE1 GLU A 84 2.526 5.883 -8.329 1.00 0.00 O ATOM 1211 OE2 GLU A 84 2.825 7.616 -9.576 1.00 0.00 O ATOM 0 H GLU A 84 2.075 8.941 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 84 0.353 9.567 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.645 7.323 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.937 7.571 -7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.086 6.093 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.341 7.655 -9.906 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.239 10.743 -6.025 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.231 11.507 -5.209 1.00 0.00 C ATOM 1220 C GLY A 85 -2.167 10.529 -4.499 1.00 0.00 C ATOM 1221 O GLY A 85 -3.346 10.786 -4.342 1.00 0.00 O ATOM 0 H GLY A 85 0.732 10.840 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.715 12.129 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.805 12.177 -5.849 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.647 9.408 -4.071 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.493 8.398 -3.370 1.00 0.00 C ATOM 1227 C LEU A 86 -2.395 8.584 -1.848 1.00 0.00 C ATOM 1228 O LEU A 86 -2.827 7.734 -1.092 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.005 6.997 -3.737 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.137 6.788 -5.246 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.355 5.539 -5.657 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.613 6.609 -5.608 1.00 0.00 C ATOM 0 H LEU A 86 -0.667 9.148 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.531 8.528 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.966 6.871 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.588 6.246 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.737 7.656 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.448 5.389 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.304 5.666 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.755 4.671 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.708 6.460 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.013 5.741 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.170 7.499 -5.314 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.836 9.681 -1.390 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.717 9.906 0.080 1.00 0.00 C ATOM 1246 C GLY A 87 -0.266 10.239 0.429 1.00 0.00 C ATOM 1247 O GLY A 87 0.522 10.587 -0.432 1.00 0.00 O ATOM 0 H GLY A 87 -1.458 10.427 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.372 10.721 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.038 9.016 0.622 1.00 0.00 H new ATOM 1251 N GLU A 88 0.091 10.137 1.684 1.00 0.00 N ATOM 1252 CA GLU A 88 1.492 10.446 2.096 1.00 0.00 C ATOM 1253 C GLU A 88 1.662 10.162 3.591 1.00 0.00 C ATOM 1254 O GLU A 88 2.498 9.338 3.925 1.00 0.00 O ATOM 1255 CB GLU A 88 1.789 11.924 1.817 1.00 0.00 C ATOM 1256 CG GLU A 88 0.759 12.807 2.535 1.00 0.00 C ATOM 1257 CD GLU A 88 0.291 13.929 1.603 1.00 0.00 C ATOM 1258 OE1 GLU A 88 0.949 14.244 0.631 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.828 14.549 1.862 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.955 10.773 4.375 1.00 0.00 O ATOM 0 H GLU A 88 -0.529 9.852 2.442 1.00 0.00 H new ATOM 0 HA GLU A 88 2.184 9.822 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.794 12.173 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.759 12.114 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.093 12.204 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.198 13.232 3.438 1.00 0.00 H new