USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -120:sc= 0 (180deg=-0.00676) USER MOD Single : A 6 THR OG1 : rot 91:sc= 0.279 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.768 K(o=-0.77,f=-0.089) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.227) USER MOD Single : A 33 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-5.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.51! C(o=-4.5!,f=-1.2!) USER MOD Single : A 39 ASN : amide:sc= -6.31! C(o=-6.3!,f=-8.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -1.33! (180deg=-2.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -4.04! K(o=-4!,f=-2.2) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -0.705 (180deg=-2.76!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 141:sc= 1.07 (180deg=0.278) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 22:sc= 0.0932 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -11.837 -4.507 7.629 1.00 0.00 N ATOM 13 CA GLY A 3 -11.317 -3.468 6.756 1.00 0.00 C ATOM 14 C GLY A 3 -10.283 -2.638 7.518 1.00 0.00 C ATOM 15 O GLY A 3 -10.504 -2.366 8.706 1.00 0.00 O ATOM 0 HA2 GLY A 3 -10.862 -3.914 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.129 -2.829 6.409 1.00 0.00 H new ATOM 19 N LYS A 4 -9.189 -2.260 6.831 1.00 0.00 N ATOM 20 CA LYS A 4 -8.133 -1.469 7.439 1.00 0.00 C ATOM 21 C LYS A 4 -8.165 -0.052 6.863 1.00 0.00 C ATOM 22 O LYS A 4 -9.232 0.370 6.394 1.00 0.00 O ATOM 23 CB LYS A 4 -6.782 -2.168 7.279 1.00 0.00 C ATOM 24 CG LYS A 4 -6.930 -3.686 7.398 1.00 0.00 C ATOM 25 CD LYS A 4 -7.525 -4.074 8.755 1.00 0.00 C ATOM 26 CE LYS A 4 -6.887 -3.263 9.885 1.00 0.00 C ATOM 27 NZ LYS A 4 -6.873 -4.043 11.133 1.00 0.00 N ATOM 0 H LYS A 4 -9.024 -2.497 5.853 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.295 -1.379 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.351 -1.916 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.090 -1.806 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.570 -4.057 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.957 -4.161 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.602 -3.906 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.370 -5.138 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.869 -2.985 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.442 -2.337 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.437 -3.479 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.848 -4.287 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.324 -4.915 10.991 1.00 0.00 H new ATOM 41 N MET A 5 -7.015 0.642 6.908 1.00 0.00 N ATOM 42 CA MET A 5 -6.912 1.999 6.394 1.00 0.00 C ATOM 43 C MET A 5 -6.552 1.950 4.907 1.00 0.00 C ATOM 44 O MET A 5 -5.891 0.986 4.493 1.00 0.00 O ATOM 45 CB MET A 5 -5.838 2.777 7.156 1.00 0.00 C ATOM 46 CG MET A 5 -4.473 2.100 7.023 1.00 0.00 C ATOM 47 SD MET A 5 -3.999 1.340 8.604 1.00 0.00 S ATOM 48 CE MET A 5 -3.343 2.798 9.470 1.00 0.00 C ATOM 0 H MET A 5 -6.147 0.275 7.298 1.00 0.00 H new ATOM 0 HA MET A 5 -7.869 2.503 6.526 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.781 3.796 6.773 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.112 2.847 8.209 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.509 1.341 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.723 2.831 6.722 1.00 0.00 H new ATOM 0 HE1 MET A 5 -2.298 2.628 9.729 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.419 3.671 8.822 1.00 0.00 H new ATOM 0 HE3 MET A 5 -3.918 2.970 10.379 1.00 0.00 H new ATOM 58 N THR A 6 -6.986 2.972 4.150 1.00 0.00 N ATOM 59 CA THR A 6 -6.710 3.045 2.725 1.00 0.00 C ATOM 60 C THR A 6 -5.268 3.510 2.512 1.00 0.00 C ATOM 61 O THR A 6 -4.638 3.946 3.487 1.00 0.00 O ATOM 62 CB THR A 6 -7.746 3.962 2.072 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.417 5.260 2.561 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.162 3.714 2.598 1.00 0.00 C ATOM 0 H THR A 6 -7.530 3.755 4.512 1.00 0.00 H new ATOM 0 HA THR A 6 -6.796 2.068 2.250 1.00 0.00 H new ATOM 0 HB THR A 6 -7.729 3.817 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.789 5.692 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.858 4.391 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.451 2.683 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.187 3.892 3.673 1.00 0.00 H new ATOM 72 N GLY A 7 -4.781 3.412 1.262 1.00 0.00 N ATOM 73 CA GLY A 7 -3.427 3.819 0.928 1.00 0.00 C ATOM 74 C GLY A 7 -3.050 3.252 -0.442 1.00 0.00 C ATOM 75 O GLY A 7 -3.291 2.058 -0.671 1.00 0.00 O ATOM 0 H GLY A 7 -5.316 3.052 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.355 4.907 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.730 3.461 1.686 1.00 0.00 H new ATOM 79 N ILE A 8 -2.479 4.104 -1.311 1.00 0.00 N ATOM 80 CA ILE A 8 -2.076 3.689 -2.644 1.00 0.00 C ATOM 81 C ILE A 8 -0.575 3.392 -2.648 1.00 0.00 C ATOM 82 O ILE A 8 0.168 4.099 -1.950 1.00 0.00 O ATOM 83 CB ILE A 8 -2.499 4.732 -3.681 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.326 5.638 -4.057 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.708 5.531 -3.191 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.725 6.623 -5.158 1.00 0.00 C ATOM 0 H ILE A 8 -2.290 5.085 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.585 2.768 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.804 4.210 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.989 6.187 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.486 5.031 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.989 6.265 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.544 4.854 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.454 6.043 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.873 7.255 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.038 6.071 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.549 7.245 -4.808 1.00 0.00 H new ATOM 98 N VAL A 9 -0.165 2.371 -3.422 1.00 0.00 N ATOM 99 CA VAL A 9 1.234 1.988 -3.514 1.00 0.00 C ATOM 100 C VAL A 9 1.934 2.875 -4.546 1.00 0.00 C ATOM 101 O VAL A 9 1.313 3.191 -5.571 1.00 0.00 O ATOM 102 CB VAL A 9 1.347 0.496 -3.833 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.430 0.112 -4.996 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.797 0.107 -4.127 1.00 0.00 C ATOM 0 H VAL A 9 -0.793 1.802 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 9 1.737 2.142 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 9 1.022 -0.060 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.530 -0.954 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.604 0.335 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.710 0.681 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.850 -0.959 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.160 0.676 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.416 0.326 -3.257 1.00 0.00 H new ATOM 114 N LYS A 10 3.193 3.252 -4.259 1.00 0.00 N ATOM 115 CA LYS A 10 3.967 4.094 -5.155 1.00 0.00 C ATOM 116 C LYS A 10 5.103 3.270 -5.766 1.00 0.00 C ATOM 117 O LYS A 10 5.446 3.515 -6.932 1.00 0.00 O ATOM 118 CB LYS A 10 4.443 5.353 -4.430 1.00 0.00 C ATOM 119 CG LYS A 10 3.719 6.595 -4.956 1.00 0.00 C ATOM 120 CD LYS A 10 4.649 7.811 -4.961 1.00 0.00 C ATOM 121 CE LYS A 10 5.013 8.229 -3.536 1.00 0.00 C ATOM 122 NZ LYS A 10 4.390 9.521 -3.203 1.00 0.00 N ATOM 0 H LYS A 10 3.687 2.980 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 10 3.346 4.445 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.265 5.250 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.518 5.470 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.354 6.407 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.847 6.802 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.556 7.577 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.165 8.641 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.682 7.466 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.096 8.305 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.647 9.790 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.726 10.249 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.356 9.437 -3.277 1.00 0.00 H new ATOM 136 N TRP A 11 5.654 2.328 -4.981 1.00 0.00 N ATOM 137 CA TRP A 11 6.739 1.480 -5.444 1.00 0.00 C ATOM 138 C TRP A 11 6.516 0.053 -4.936 1.00 0.00 C ATOM 139 O TRP A 11 6.204 -0.109 -3.749 1.00 0.00 O ATOM 140 CB TRP A 11 8.087 2.063 -5.014 1.00 0.00 C ATOM 141 CG TRP A 11 8.085 3.584 -4.853 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.802 4.298 -3.754 1.00 0.00 C ATOM 143 CD2 TRP A 11 8.390 4.558 -5.874 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.903 5.654 -3.990 1.00 0.00 N ATOM 145 CE2 TRP A 11 8.272 5.816 -5.321 1.00 0.00 C ATOM 146 CE3 TRP A 11 8.754 4.379 -7.221 1.00 0.00 C ATOM 147 CZ2 TRP A 11 8.501 6.995 -6.042 1.00 0.00 C ATOM 148 CZ3 TRP A 11 8.979 5.567 -7.927 1.00 0.00 C ATOM 149 CH2 TRP A 11 8.865 6.843 -7.385 1.00 0.00 C ATOM 0 H TRP A 11 5.357 2.143 -4.023 1.00 0.00 H new ATOM 0 HA TRP A 11 6.753 1.442 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.383 1.608 -4.068 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.842 1.787 -5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.529 3.866 -2.803 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.738 6.399 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.852 3.404 -7.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.402 7.969 -5.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.261 5.487 -8.966 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.056 7.712 -7.997 1.00 0.00 H new ATOM 160 N PHE A 12 6.680 -0.936 -5.834 1.00 0.00 N ATOM 161 CA PHE A 12 6.497 -2.334 -5.480 1.00 0.00 C ATOM 162 C PHE A 12 7.606 -3.167 -6.125 1.00 0.00 C ATOM 163 O PHE A 12 7.693 -3.176 -7.362 1.00 0.00 O ATOM 164 CB PHE A 12 5.110 -2.802 -5.961 1.00 0.00 C ATOM 165 CG PHE A 12 5.138 -3.962 -6.947 1.00 0.00 C ATOM 166 CD1 PHE A 12 5.227 -5.295 -6.481 1.00 0.00 C ATOM 167 CD2 PHE A 12 5.083 -3.711 -8.336 1.00 0.00 C ATOM 168 CE1 PHE A 12 5.258 -6.367 -7.397 1.00 0.00 C ATOM 169 CE2 PHE A 12 5.113 -4.783 -9.253 1.00 0.00 C ATOM 170 CZ PHE A 12 5.200 -6.112 -8.784 1.00 0.00 C ATOM 0 H PHE A 12 6.939 -0.781 -6.808 1.00 0.00 H new ATOM 0 HA PHE A 12 6.552 -2.459 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.519 -3.094 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.598 -1.960 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.271 -5.492 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.018 -2.695 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.326 -7.383 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.069 -4.587 -10.314 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.222 -6.933 -9.486 1.00 0.00 H new ATOM 180 N ASN A 13 8.418 -3.839 -5.290 1.00 0.00 N ATOM 181 CA ASN A 13 9.509 -4.667 -5.776 1.00 0.00 C ATOM 182 C ASN A 13 9.557 -5.965 -4.969 1.00 0.00 C ATOM 183 O ASN A 13 10.607 -6.255 -4.377 1.00 0.00 O ATOM 184 CB ASN A 13 10.855 -3.958 -5.610 1.00 0.00 C ATOM 185 CG ASN A 13 11.060 -2.909 -6.705 1.00 0.00 C ATOM 186 OD1 ASN A 13 11.407 -1.768 -6.449 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.830 -3.359 -7.935 1.00 0.00 N ATOM 0 H ASN A 13 8.330 -3.817 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 13 9.335 -4.868 -6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.901 -3.481 -4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.662 -4.689 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.942 -2.736 -8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.542 -4.327 -8.078 1.00 0.00 H new ATOM 194 N ALA A 14 8.437 -6.711 -4.961 1.00 0.00 N ATOM 195 CA ALA A 14 8.353 -7.967 -4.235 1.00 0.00 C ATOM 196 C ALA A 14 9.161 -9.035 -4.975 1.00 0.00 C ATOM 197 O ALA A 14 8.550 -9.969 -5.513 1.00 0.00 O ATOM 198 CB ALA A 14 6.903 -8.457 -4.222 1.00 0.00 C ATOM 0 H ALA A 14 7.582 -6.455 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 14 8.728 -7.807 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.842 -9.399 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.272 -7.714 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.561 -8.607 -5.246 1.00 0.00 H new ATOM 204 N ASP A 15 10.496 -8.879 -4.984 1.00 0.00 N ATOM 205 CA ASP A 15 11.377 -9.822 -5.652 1.00 0.00 C ATOM 206 C ASP A 15 12.825 -9.535 -5.251 1.00 0.00 C ATOM 207 O ASP A 15 13.628 -10.477 -5.226 1.00 0.00 O ATOM 208 CB ASP A 15 11.273 -9.693 -7.173 1.00 0.00 C ATOM 209 CG ASP A 15 11.243 -8.258 -7.699 1.00 0.00 C ATOM 210 OD1 ASP A 15 10.304 -7.495 -7.424 1.00 0.00 O ATOM 211 OD2 ASP A 15 12.252 -7.924 -8.431 1.00 0.00 O ATOM 0 H ASP A 15 10.979 -8.103 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 15 11.080 -10.828 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.118 -10.212 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.370 -10.205 -7.505 1.00 0.00 H new ATOM 216 N LYS A 16 13.123 -8.258 -4.951 1.00 0.00 N ATOM 217 CA LYS A 16 14.462 -7.852 -4.557 1.00 0.00 C ATOM 218 C LYS A 16 14.516 -7.699 -3.034 1.00 0.00 C ATOM 219 O LYS A 16 15.309 -8.408 -2.397 1.00 0.00 O ATOM 220 CB LYS A 16 14.887 -6.596 -5.317 1.00 0.00 C ATOM 221 CG LYS A 16 13.749 -5.574 -5.369 1.00 0.00 C ATOM 222 CD LYS A 16 14.233 -4.191 -4.932 1.00 0.00 C ATOM 223 CE LYS A 16 14.651 -3.349 -6.141 1.00 0.00 C ATOM 224 NZ LYS A 16 14.897 -1.956 -5.737 1.00 0.00 N ATOM 0 H LYS A 16 12.445 -7.496 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 16 15.188 -8.619 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.757 -6.152 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.186 -6.864 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.350 -5.520 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.934 -5.899 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.440 -3.680 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.075 -4.296 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.551 -3.768 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.871 -3.381 -6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.179 -1.398 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.029 -1.554 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.657 -1.929 -5.028 1.00 0.00 H new ATOM 238 N GLY A 17 13.685 -6.792 -2.491 1.00 0.00 N ATOM 239 CA GLY A 17 13.638 -6.550 -1.060 1.00 0.00 C ATOM 240 C GLY A 17 12.234 -6.083 -0.671 1.00 0.00 C ATOM 241 O GLY A 17 12.113 -5.320 0.299 1.00 0.00 O ATOM 0 H GLY A 17 13.039 -6.219 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.894 -7.460 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.374 -5.796 -0.783 1.00 0.00 H new ATOM 245 N PHE A 18 11.216 -6.543 -1.421 1.00 0.00 N ATOM 246 CA PHE A 18 9.836 -6.175 -1.156 1.00 0.00 C ATOM 247 C PHE A 18 9.540 -4.822 -1.806 1.00 0.00 C ATOM 248 O PHE A 18 10.323 -4.399 -2.670 1.00 0.00 O ATOM 249 CB PHE A 18 9.612 -6.110 0.367 1.00 0.00 C ATOM 250 CG PHE A 18 10.354 -7.175 1.164 1.00 0.00 C ATOM 251 CD1 PHE A 18 10.602 -8.447 0.600 1.00 0.00 C ATOM 252 CD2 PHE A 18 10.796 -6.895 2.478 1.00 0.00 C ATOM 253 CE1 PHE A 18 11.286 -9.433 1.342 1.00 0.00 C ATOM 254 CE2 PHE A 18 11.481 -7.882 3.221 1.00 0.00 C ATOM 255 CZ PHE A 18 11.726 -9.150 2.654 1.00 0.00 C ATOM 0 H PHE A 18 11.336 -7.172 -2.215 1.00 0.00 H new ATOM 0 HA PHE A 18 9.160 -6.919 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.920 -5.127 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.545 -6.202 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.267 -8.665 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.609 -5.925 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.473 -10.404 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.817 -7.665 4.224 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.250 -9.904 3.223 1.00 0.00 H new ATOM 265 N GLY A 19 8.434 -4.182 -1.388 1.00 0.00 N ATOM 266 CA GLY A 19 8.042 -2.890 -1.925 1.00 0.00 C ATOM 267 C GLY A 19 7.575 -1.986 -0.782 1.00 0.00 C ATOM 268 O GLY A 19 7.549 -2.454 0.366 1.00 0.00 O ATOM 0 H GLY A 19 7.801 -4.549 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.881 -2.431 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.242 -3.015 -2.655 1.00 0.00 H new ATOM 272 N PHE A 20 7.224 -0.731 -1.111 1.00 0.00 N ATOM 273 CA PHE A 20 6.764 0.225 -0.119 1.00 0.00 C ATOM 274 C PHE A 20 5.491 0.907 -0.626 1.00 0.00 C ATOM 275 O PHE A 20 5.453 1.285 -1.806 1.00 0.00 O ATOM 276 CB PHE A 20 7.873 1.263 0.139 1.00 0.00 C ATOM 277 CG PHE A 20 9.249 0.668 0.408 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.550 0.103 1.669 1.00 0.00 C ATOM 279 CD2 PHE A 20 10.237 0.684 -0.604 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.828 -0.443 1.915 1.00 0.00 C ATOM 281 CE2 PHE A 20 11.515 0.137 -0.356 1.00 0.00 C ATOM 282 CZ PHE A 20 11.810 -0.426 0.902 1.00 0.00 C ATOM 0 H PHE A 20 7.254 -0.365 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 20 6.538 -0.285 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.941 1.925 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.585 1.879 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.800 0.089 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.013 1.116 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.054 -0.874 2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.267 0.150 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.788 -0.844 1.091 1.00 0.00 H new ATOM 292 N ILE A 21 4.489 1.047 0.262 1.00 0.00 N ATOM 293 CA ILE A 21 3.229 1.676 -0.094 1.00 0.00 C ATOM 294 C ILE A 21 3.136 3.043 0.588 1.00 0.00 C ATOM 295 O ILE A 21 3.846 3.256 1.582 1.00 0.00 O ATOM 296 CB ILE A 21 2.057 0.747 0.232 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.097 -0.509 -0.639 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.723 1.487 0.110 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.701 -1.120 -0.785 1.00 0.00 C ATOM 0 H ILE A 21 4.540 0.728 1.230 1.00 0.00 H new ATOM 0 HA ILE A 21 3.180 1.851 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 21 2.153 0.424 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.494 -0.261 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.774 -1.241 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.094 0.805 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.708 2.327 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.604 1.857 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.758 -2.012 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.317 -1.389 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.033 -0.394 -1.249 1.00 0.00 H new ATOM 311 N THR A 22 2.280 3.928 0.048 1.00 0.00 N ATOM 312 CA THR A 22 2.101 5.261 0.599 1.00 0.00 C ATOM 313 C THR A 22 0.634 5.450 0.994 1.00 0.00 C ATOM 314 O THR A 22 -0.214 5.535 0.092 1.00 0.00 O ATOM 315 CB THR A 22 2.591 6.285 -0.427 1.00 0.00 C ATOM 316 OG1 THR A 22 3.941 6.537 -0.047 1.00 0.00 O ATOM 317 CG2 THR A 22 1.902 7.642 -0.275 1.00 0.00 C ATOM 0 H THR A 22 1.705 3.733 -0.772 1.00 0.00 H new ATOM 0 HA THR A 22 2.690 5.403 1.505 1.00 0.00 H new ATOM 0 HB THR A 22 2.420 5.902 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.337 7.190 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.286 8.331 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.827 7.521 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.101 8.042 0.719 1.00 0.00 H new ATOM 325 N PRO A 23 0.369 5.514 2.311 1.00 0.00 N ATOM 326 CA PRO A 23 -0.968 5.691 2.852 1.00 0.00 C ATOM 327 C PRO A 23 -1.441 7.136 2.682 1.00 0.00 C ATOM 328 O PRO A 23 -0.611 7.992 2.342 1.00 0.00 O ATOM 329 CB PRO A 23 -0.862 5.269 4.308 1.00 0.00 C ATOM 330 CG PRO A 23 0.619 5.314 4.649 1.00 0.00 C ATOM 331 CD PRO A 23 1.394 5.411 3.345 1.00 0.00 C ATOM 0 HA PRO A 23 -1.715 5.093 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.431 5.940 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.266 4.267 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.838 6.170 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.911 4.421 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.051 6.280 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.024 4.534 3.192 1.00 0.00 H new ATOM 339 N ASP A 24 -2.744 7.375 2.917 1.00 0.00 N ATOM 340 CA ASP A 24 -3.319 8.704 2.789 1.00 0.00 C ATOM 341 C ASP A 24 -3.783 9.186 4.165 1.00 0.00 C ATOM 342 O ASP A 24 -3.496 10.342 4.512 1.00 0.00 O ATOM 343 CB ASP A 24 -4.532 8.693 1.857 1.00 0.00 C ATOM 344 CG ASP A 24 -5.579 7.623 2.173 1.00 0.00 C ATOM 345 OD1 ASP A 24 -5.316 6.449 1.710 1.00 0.00 O ATOM 346 OD2 ASP A 24 -6.596 7.900 2.828 1.00 0.00 O ATOM 0 H ASP A 24 -3.411 6.656 3.197 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.556 9.364 2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.011 9.671 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.184 8.549 0.834 1.00 0.00 H new ATOM 351 N ASP A 25 -4.481 8.309 4.907 1.00 0.00 N ATOM 352 CA ASP A 25 -4.977 8.643 6.231 1.00 0.00 C ATOM 353 C ASP A 25 -3.993 8.135 7.285 1.00 0.00 C ATOM 354 O ASP A 25 -4.048 8.620 8.425 1.00 0.00 O ATOM 355 CB ASP A 25 -6.333 7.983 6.493 1.00 0.00 C ATOM 356 CG ASP A 25 -6.940 8.276 7.866 1.00 0.00 C ATOM 357 OD1 ASP A 25 -6.563 9.386 8.404 1.00 0.00 O ATOM 358 OD2 ASP A 25 -7.734 7.484 8.395 1.00 0.00 O ATOM 0 H ASP A 25 -4.709 7.363 4.601 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.085 9.726 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.034 8.310 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.222 6.904 6.384 1.00 0.00 H new ATOM 363 N GLY A 26 -3.125 7.188 6.891 1.00 0.00 N ATOM 364 CA GLY A 26 -2.138 6.622 7.796 1.00 0.00 C ATOM 365 C GLY A 26 -1.133 7.708 8.190 1.00 0.00 C ATOM 366 O GLY A 26 -1.549 8.705 8.796 1.00 0.00 O ATOM 0 H GLY A 26 -3.095 6.804 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.628 6.224 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.623 5.790 7.316 1.00 0.00 H new ATOM 370 N SER A 27 0.149 7.494 7.843 1.00 0.00 N ATOM 371 CA SER A 27 1.201 8.446 8.158 1.00 0.00 C ATOM 372 C SER A 27 2.290 8.369 7.086 1.00 0.00 C ATOM 373 O SER A 27 2.224 9.144 6.120 1.00 0.00 O ATOM 374 CB SER A 27 1.798 8.185 9.542 1.00 0.00 C ATOM 375 OG SER A 27 1.241 9.041 10.534 1.00 0.00 O ATOM 0 H SER A 27 0.470 6.665 7.343 1.00 0.00 H new ATOM 0 HA SER A 27 0.769 9.447 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.625 7.146 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.878 8.329 9.504 1.00 0.00 H new ATOM 0 HG SER A 27 1.647 8.842 11.403 1.00 0.00 H new ATOM 381 N LYS A 28 3.255 7.452 7.273 1.00 0.00 N ATOM 382 CA LYS A 28 4.346 7.278 6.330 1.00 0.00 C ATOM 383 C LYS A 28 4.103 6.015 5.503 1.00 0.00 C ATOM 384 O LYS A 28 3.019 5.427 5.628 1.00 0.00 O ATOM 385 CB LYS A 28 5.692 7.287 7.059 1.00 0.00 C ATOM 386 CG LYS A 28 5.672 8.267 8.235 1.00 0.00 C ATOM 387 CD LYS A 28 7.023 8.286 8.954 1.00 0.00 C ATOM 388 CE LYS A 28 7.342 9.686 9.483 1.00 0.00 C ATOM 389 NZ LYS A 28 6.230 10.194 10.303 1.00 0.00 N ATOM 0 H LYS A 28 3.291 6.823 8.075 1.00 0.00 H new ATOM 0 HA LYS A 28 4.383 8.114 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.921 6.284 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.484 7.564 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.433 9.268 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.887 7.984 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.009 7.575 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.808 7.964 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.256 9.657 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.525 10.363 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.552 11.014 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.445 10.480 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.906 9.447 10.950 1.00 0.00 H new ATOM 403 N ASP A 29 5.101 5.628 4.687 1.00 0.00 N ATOM 404 CA ASP A 29 4.997 4.445 3.850 1.00 0.00 C ATOM 405 C ASP A 29 5.532 3.234 4.616 1.00 0.00 C ATOM 406 O ASP A 29 6.490 3.399 5.386 1.00 0.00 O ATOM 407 CB ASP A 29 5.823 4.600 2.572 1.00 0.00 C ATOM 408 CG ASP A 29 7.124 5.389 2.735 1.00 0.00 C ATOM 409 OD1 ASP A 29 7.122 6.532 3.214 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.188 4.773 2.342 1.00 0.00 O ATOM 0 H ASP A 29 5.986 6.127 4.598 1.00 0.00 H new ATOM 0 HA ASP A 29 3.948 4.310 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.063 3.608 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.209 5.092 1.818 1.00 0.00 H new ATOM 415 N VAL A 30 4.915 2.059 4.392 1.00 0.00 N ATOM 416 CA VAL A 30 5.328 0.834 5.056 1.00 0.00 C ATOM 417 C VAL A 30 5.804 -0.174 4.008 1.00 0.00 C ATOM 418 O VAL A 30 5.500 0.022 2.823 1.00 0.00 O ATOM 419 CB VAL A 30 4.186 0.300 5.925 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.470 0.538 7.409 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.850 0.920 5.515 1.00 0.00 C ATOM 0 H VAL A 30 4.128 1.944 3.753 1.00 0.00 H new ATOM 0 HA VAL A 30 6.166 1.026 5.726 1.00 0.00 H new ATOM 0 HB VAL A 30 4.118 -0.776 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.644 0.150 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.391 0.027 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.578 1.607 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.056 0.524 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.900 2.003 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.640 0.676 4.474 1.00 0.00 H new ATOM 431 N PHE A 31 6.529 -1.213 4.457 1.00 0.00 N ATOM 432 CA PHE A 31 7.039 -2.240 3.565 1.00 0.00 C ATOM 433 C PHE A 31 6.008 -3.363 3.443 1.00 0.00 C ATOM 434 O PHE A 31 5.239 -3.563 4.394 1.00 0.00 O ATOM 435 CB PHE A 31 8.372 -2.778 4.122 1.00 0.00 C ATOM 436 CG PHE A 31 8.333 -3.173 5.591 1.00 0.00 C ATOM 437 CD1 PHE A 31 7.514 -4.242 6.023 1.00 0.00 C ATOM 438 CD2 PHE A 31 9.114 -2.467 6.535 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.477 -4.601 7.388 1.00 0.00 C ATOM 440 CE2 PHE A 31 9.077 -2.828 7.899 1.00 0.00 C ATOM 441 CZ PHE A 31 8.259 -3.895 8.325 1.00 0.00 C ATOM 0 H PHE A 31 6.770 -1.354 5.438 1.00 0.00 H new ATOM 0 HA PHE A 31 7.217 -1.823 2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.672 -3.645 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.141 -2.018 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.915 -4.785 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.741 -1.649 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.849 -5.417 7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.675 -2.287 8.617 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.232 -4.171 9.369 1.00 0.00 H new ATOM 451 N VAL A 32 6.013 -4.062 2.294 1.00 0.00 N ATOM 452 CA VAL A 32 5.083 -5.154 2.053 1.00 0.00 C ATOM 453 C VAL A 32 5.652 -6.070 0.968 1.00 0.00 C ATOM 454 O VAL A 32 6.441 -5.588 0.142 1.00 0.00 O ATOM 455 CB VAL A 32 3.702 -4.597 1.703 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.794 -3.132 1.275 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.030 -5.443 0.619 1.00 0.00 C ATOM 0 H VAL A 32 6.656 -3.881 1.523 1.00 0.00 H new ATOM 0 HA VAL A 32 4.956 -5.756 2.953 1.00 0.00 H new ATOM 0 HB VAL A 32 3.084 -4.646 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.798 -2.761 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.213 -2.541 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.436 -3.049 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.050 -5.026 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.647 -5.440 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.914 -6.466 0.976 1.00 0.00 H new ATOM 467 N HIS A 33 5.248 -7.353 0.991 1.00 0.00 N ATOM 468 CA HIS A 33 5.713 -8.325 0.016 1.00 0.00 C ATOM 469 C HIS A 33 4.550 -8.725 -0.895 1.00 0.00 C ATOM 470 O HIS A 33 3.433 -8.236 -0.675 1.00 0.00 O ATOM 471 CB HIS A 33 6.365 -9.524 0.708 1.00 0.00 C ATOM 472 CG HIS A 33 5.595 -10.039 1.900 1.00 0.00 C ATOM 473 ND1 HIS A 33 4.323 -10.576 1.796 1.00 0.00 N ATOM 474 CD2 HIS A 33 5.928 -10.094 3.222 1.00 0.00 C ATOM 475 CE1 HIS A 33 3.920 -10.933 3.006 1.00 0.00 C ATOM 476 NE2 HIS A 33 4.916 -10.633 3.889 1.00 0.00 N ATOM 0 H HIS A 33 4.598 -7.730 1.681 1.00 0.00 H new ATOM 0 HA HIS A 33 6.487 -7.880 -0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.477 -10.331 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.368 -9.243 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.859 -9.756 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.969 -11.383 3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.887 -10.796 4.895 1.00 0.00 H new ATOM 484 N PHE A 34 4.831 -9.592 -1.883 1.00 0.00 N ATOM 485 CA PHE A 34 3.817 -10.051 -2.815 1.00 0.00 C ATOM 486 C PHE A 34 2.825 -10.955 -2.080 1.00 0.00 C ATOM 487 O PHE A 34 1.693 -11.103 -2.560 1.00 0.00 O ATOM 488 CB PHE A 34 4.496 -10.811 -3.972 1.00 0.00 C ATOM 489 CG PHE A 34 5.296 -12.035 -3.544 1.00 0.00 C ATOM 490 CD1 PHE A 34 4.650 -13.131 -2.925 1.00 0.00 C ATOM 491 CD2 PHE A 34 6.694 -12.077 -3.757 1.00 0.00 C ATOM 492 CE1 PHE A 34 5.397 -14.261 -2.526 1.00 0.00 C ATOM 493 CE2 PHE A 34 7.438 -13.208 -3.358 1.00 0.00 C ATOM 494 CZ PHE A 34 6.789 -14.298 -2.742 1.00 0.00 C ATOM 0 H PHE A 34 5.759 -9.983 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 34 3.274 -9.201 -3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.731 -11.124 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.160 -10.126 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.583 -13.103 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.193 -11.242 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.901 -15.097 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.505 -13.239 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.360 -15.162 -2.435 1.00 0.00 H new ATOM 504 N SER A 35 3.263 -11.533 -0.946 1.00 0.00 N ATOM 505 CA SER A 35 2.420 -12.412 -0.155 1.00 0.00 C ATOM 506 C SER A 35 1.438 -11.570 0.662 1.00 0.00 C ATOM 507 O SER A 35 1.182 -11.925 1.823 1.00 0.00 O ATOM 508 CB SER A 35 3.252 -13.303 0.769 1.00 0.00 C ATOM 509 OG SER A 35 2.769 -14.644 0.796 1.00 0.00 O ATOM 0 H SER A 35 4.200 -11.399 -0.567 1.00 0.00 H new ATOM 0 HA SER A 35 1.870 -13.066 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.291 -13.298 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.237 -12.892 1.778 1.00 0.00 H new ATOM 0 HG SER A 35 3.328 -15.181 1.396 1.00 0.00 H new ATOM 515 N ALA A 36 0.916 -10.492 0.051 1.00 0.00 N ATOM 516 CA ALA A 36 -0.027 -9.612 0.718 1.00 0.00 C ATOM 517 C ALA A 36 -0.624 -8.642 -0.305 1.00 0.00 C ATOM 518 O ALA A 36 -0.350 -7.436 -0.204 1.00 0.00 O ATOM 519 CB ALA A 36 0.709 -8.751 1.746 1.00 0.00 C ATOM 0 H ALA A 36 1.139 -10.219 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.795 -10.224 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.002 -8.092 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.187 -9.395 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.468 -8.152 1.242 1.00 0.00 H new ATOM 525 N ILE A 37 -1.415 -9.176 -1.253 1.00 0.00 N ATOM 526 CA ILE A 37 -2.041 -8.365 -2.281 1.00 0.00 C ATOM 527 C ILE A 37 -3.434 -8.920 -2.586 1.00 0.00 C ATOM 528 O ILE A 37 -3.675 -9.307 -3.739 1.00 0.00 O ATOM 529 CB ILE A 37 -1.136 -8.265 -3.511 1.00 0.00 C ATOM 530 CG1 ILE A 37 -1.775 -7.391 -4.592 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.772 -9.655 -4.038 1.00 0.00 C ATOM 532 CD1 ILE A 37 -1.505 -7.961 -5.987 1.00 0.00 C ATOM 0 H ILE A 37 -1.629 -10.171 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.175 -7.342 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.206 -7.780 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.850 -7.325 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.380 -6.377 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.128 -9.556 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.247 -10.212 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.681 -10.188 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.970 -7.322 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.430 -8.003 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.923 -8.965 -6.057 1.00 0.00 H new ATOM 544 N GLN A 38 -4.307 -8.950 -1.564 1.00 0.00 N ATOM 545 CA GLN A 38 -5.662 -9.452 -1.723 1.00 0.00 C ATOM 546 C GLN A 38 -6.236 -8.952 -3.050 1.00 0.00 C ATOM 547 O GLN A 38 -6.677 -7.795 -3.101 1.00 0.00 O ATOM 548 CB GLN A 38 -6.555 -9.044 -0.549 1.00 0.00 C ATOM 549 CG GLN A 38 -6.349 -9.974 0.648 1.00 0.00 C ATOM 550 CD GLN A 38 -4.878 -10.382 0.779 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.532 -11.551 0.801 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.040 -9.354 0.866 1.00 0.00 N ATOM 0 H GLN A 38 -4.087 -8.629 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.631 -10.542 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.333 -8.017 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.600 -9.069 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.675 -9.475 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.968 -10.864 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.399 -8.400 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.038 -9.519 0.958 1.00 0.00 H new ATOM 561 N ASN A 39 -6.220 -9.819 -4.079 1.00 0.00 N ATOM 562 CA ASN A 39 -6.734 -9.466 -5.389 1.00 0.00 C ATOM 563 C ASN A 39 -6.911 -10.738 -6.223 1.00 0.00 C ATOM 564 O ASN A 39 -7.286 -11.772 -5.648 1.00 0.00 O ATOM 565 CB ASN A 39 -5.765 -8.546 -6.133 1.00 0.00 C ATOM 566 CG ASN A 39 -4.487 -9.293 -6.520 1.00 0.00 C ATOM 567 OD1 ASN A 39 -4.164 -10.340 -5.984 1.00 0.00 O ATOM 568 ND2 ASN A 39 -3.781 -8.698 -7.477 1.00 0.00 N ATOM 0 H ASN A 39 -5.853 -10.768 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.685 -8.951 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.246 -8.153 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.515 -7.691 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.911 -9.118 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.109 -7.822 -7.883 1.00 0.00 H new ATOM 575 N ASP A 40 -6.646 -10.639 -7.536 1.00 0.00 N ATOM 576 CA ASP A 40 -6.774 -11.773 -8.436 1.00 0.00 C ATOM 577 C ASP A 40 -6.365 -13.051 -7.700 1.00 0.00 C ATOM 578 O ASP A 40 -7.258 -13.792 -7.266 1.00 0.00 O ATOM 579 CB ASP A 40 -5.862 -11.616 -9.654 1.00 0.00 C ATOM 580 CG ASP A 40 -6.379 -10.658 -10.728 1.00 0.00 C ATOM 581 OD1 ASP A 40 -6.100 -9.450 -10.694 1.00 0.00 O ATOM 582 OD2 ASP A 40 -7.105 -11.204 -11.643 1.00 0.00 O ATOM 0 H ASP A 40 -6.341 -9.777 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.811 -11.825 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.886 -11.267 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.711 -12.597 -10.105 1.00 0.00 H new ATOM 587 N GLY A 41 -5.045 -13.279 -7.577 1.00 0.00 N ATOM 588 CA GLY A 41 -4.527 -14.456 -6.901 1.00 0.00 C ATOM 589 C GLY A 41 -3.035 -14.600 -7.209 1.00 0.00 C ATOM 590 O GLY A 41 -2.281 -14.987 -6.304 1.00 0.00 O ATOM 0 H GLY A 41 -4.325 -12.655 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.681 -14.369 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.065 -15.345 -7.230 1.00 0.00 H new ATOM 594 N TYR A 42 -2.645 -14.290 -8.459 1.00 0.00 N ATOM 595 CA TYR A 42 -1.242 -14.410 -8.817 1.00 0.00 C ATOM 596 C TYR A 42 -0.481 -13.191 -8.292 1.00 0.00 C ATOM 597 O TYR A 42 0.269 -12.592 -9.078 1.00 0.00 O ATOM 598 CB TYR A 42 -1.097 -14.566 -10.341 1.00 0.00 C ATOM 599 CG TYR A 42 -2.366 -15.010 -11.055 1.00 0.00 C ATOM 600 CD1 TYR A 42 -2.670 -16.384 -11.186 1.00 0.00 C ATOM 601 CD2 TYR A 42 -3.245 -14.045 -11.598 1.00 0.00 C ATOM 602 CE1 TYR A 42 -3.846 -16.791 -11.852 1.00 0.00 C ATOM 603 CE2 TYR A 42 -4.422 -14.451 -12.264 1.00 0.00 C ATOM 604 CZ TYR A 42 -4.723 -15.824 -12.391 1.00 0.00 C ATOM 605 OH TYR A 42 -5.864 -16.213 -13.034 1.00 0.00 O ATOM 0 H TYR A 42 -3.263 -13.968 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.814 -15.301 -8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.773 -13.614 -10.762 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.308 -15.290 -10.546 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.000 -17.125 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.015 -12.994 -11.503 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.075 -17.842 -11.949 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.092 -13.711 -12.676 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.352 -15.421 -13.342 1.00 0.00 H new ATOM 615 N LYS A 43 -0.688 -12.848 -7.010 1.00 0.00 N ATOM 616 CA LYS A 43 -0.030 -11.702 -6.403 1.00 0.00 C ATOM 617 C LYS A 43 0.292 -10.671 -7.486 1.00 0.00 C ATOM 618 O LYS A 43 -0.575 -10.419 -8.336 1.00 0.00 O ATOM 619 CB LYS A 43 1.193 -12.153 -5.599 1.00 0.00 C ATOM 620 CG LYS A 43 1.984 -13.222 -6.356 1.00 0.00 C ATOM 621 CD LYS A 43 1.354 -14.603 -6.167 1.00 0.00 C ATOM 622 CE LYS A 43 0.742 -14.742 -4.772 1.00 0.00 C ATOM 623 NZ LYS A 43 1.738 -14.416 -3.738 1.00 0.00 N ATOM 0 H LYS A 43 -1.309 -13.356 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.693 -11.215 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.835 -11.296 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.873 -12.547 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.015 -12.974 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.015 -13.236 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.585 -14.762 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.110 -15.374 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.119 -14.080 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.378 -15.759 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.734 -15.155 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.682 -14.362 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.502 -13.500 -3.306 1.00 0.00 H new ATOM 637 N SER A 44 1.510 -10.103 -7.435 1.00 0.00 N ATOM 638 CA SER A 44 1.937 -9.110 -8.405 1.00 0.00 C ATOM 639 C SER A 44 1.121 -7.829 -8.212 1.00 0.00 C ATOM 640 O SER A 44 -0.102 -7.876 -8.409 1.00 0.00 O ATOM 641 CB SER A 44 1.785 -9.625 -9.839 1.00 0.00 C ATOM 642 OG SER A 44 3.047 -9.867 -10.455 1.00 0.00 O ATOM 0 H SER A 44 2.209 -10.323 -6.726 1.00 0.00 H new ATOM 0 HA SER A 44 2.994 -8.901 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.201 -10.546 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.227 -8.897 -10.429 1.00 0.00 H new ATOM 0 HG SER A 44 2.908 -10.196 -11.368 1.00 0.00 H new ATOM 648 N LEU A 45 1.801 -6.733 -7.835 1.00 0.00 N ATOM 649 CA LEU A 45 1.144 -5.456 -7.617 1.00 0.00 C ATOM 650 C LEU A 45 1.401 -4.543 -8.819 1.00 0.00 C ATOM 651 O LEU A 45 1.696 -5.066 -9.904 1.00 0.00 O ATOM 652 CB LEU A 45 1.578 -4.850 -6.281 1.00 0.00 C ATOM 653 CG LEU A 45 1.049 -5.546 -5.026 1.00 0.00 C ATOM 654 CD1 LEU A 45 2.199 -6.079 -4.168 1.00 0.00 C ATOM 655 CD2 LEU A 45 0.124 -4.620 -4.233 1.00 0.00 C ATOM 0 H LEU A 45 2.809 -6.718 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 45 0.065 -5.591 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.667 -4.851 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.259 -3.808 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 45 0.455 -6.405 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.795 -6.569 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.782 -6.796 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.840 -5.252 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.238 -5.140 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.673 -3.728 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.723 -4.332 -4.855 1.00 0.00 H new ATOM 667 N ASP A 46 1.288 -3.220 -8.605 1.00 0.00 N ATOM 668 CA ASP A 46 1.507 -2.248 -9.662 1.00 0.00 C ATOM 669 C ASP A 46 2.020 -0.944 -9.051 1.00 0.00 C ATOM 670 O ASP A 46 1.915 -0.783 -7.826 1.00 0.00 O ATOM 671 CB ASP A 46 0.206 -1.942 -10.407 1.00 0.00 C ATOM 672 CG ASP A 46 0.377 -1.574 -11.882 1.00 0.00 C ATOM 673 OD1 ASP A 46 1.047 -0.587 -12.222 1.00 0.00 O ATOM 674 OD2 ASP A 46 -0.221 -2.359 -12.714 1.00 0.00 O ATOM 0 H ASP A 46 1.045 -2.810 -7.703 1.00 0.00 H new ATOM 0 HA ASP A 46 2.232 -2.666 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.448 -2.812 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.301 -1.121 -9.900 1.00 0.00 H new ATOM 679 N GLU A 47 2.557 -0.050 -9.901 1.00 0.00 N ATOM 680 CA GLU A 47 3.080 1.228 -9.448 1.00 0.00 C ATOM 681 C GLU A 47 1.975 2.283 -9.525 1.00 0.00 C ATOM 682 O GLU A 47 1.719 2.790 -10.626 1.00 0.00 O ATOM 683 CB GLU A 47 4.303 1.654 -10.262 1.00 0.00 C ATOM 684 CG GLU A 47 3.979 1.698 -11.757 1.00 0.00 C ATOM 685 CD GLU A 47 5.229 1.423 -12.596 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.860 0.367 -12.441 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.538 2.352 -13.435 1.00 0.00 O ATOM 0 H GLU A 47 2.635 -0.201 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 47 3.407 1.125 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.641 2.636 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.123 0.958 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.211 0.960 -11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.570 2.675 -12.016 1.00 0.00 H new ATOM 694 N GLY A 48 1.353 2.587 -8.371 1.00 0.00 N ATOM 695 CA GLY A 48 0.286 3.572 -8.308 1.00 0.00 C ATOM 696 C GLY A 48 -1.066 2.857 -8.331 1.00 0.00 C ATOM 697 O GLY A 48 -1.685 2.801 -9.404 1.00 0.00 O ATOM 0 H GLY A 48 1.580 2.157 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.379 4.168 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.361 4.260 -9.150 1.00 0.00 H new ATOM 701 N GLN A 49 -1.488 2.331 -7.168 1.00 0.00 N ATOM 702 CA GLN A 49 -2.755 1.627 -7.056 1.00 0.00 C ATOM 703 C GLN A 49 -3.289 1.769 -5.629 1.00 0.00 C ATOM 704 O GLN A 49 -2.530 1.499 -4.686 1.00 0.00 O ATOM 705 CB GLN A 49 -2.614 0.154 -7.444 1.00 0.00 C ATOM 706 CG GLN A 49 -3.884 -0.628 -7.100 1.00 0.00 C ATOM 707 CD GLN A 49 -3.727 -2.109 -7.448 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.867 -2.505 -8.218 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.604 -2.904 -6.841 1.00 0.00 N ATOM 0 H GLN A 49 -0.961 2.386 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.466 2.073 -7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.411 0.073 -8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.762 -0.283 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.104 -0.522 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.731 -0.211 -7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.299 -2.508 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.582 -3.910 -7.009 1.00 0.00 H new ATOM 718 N LYS A 50 -4.562 2.184 -5.502 1.00 0.00 N ATOM 719 CA LYS A 50 -5.188 2.359 -4.202 1.00 0.00 C ATOM 720 C LYS A 50 -5.458 0.988 -3.581 1.00 0.00 C ATOM 721 O LYS A 50 -5.974 0.111 -4.289 1.00 0.00 O ATOM 722 CB LYS A 50 -6.434 3.237 -4.322 1.00 0.00 C ATOM 723 CG LYS A 50 -6.804 3.853 -2.971 1.00 0.00 C ATOM 724 CD LYS A 50 -7.020 5.363 -3.097 1.00 0.00 C ATOM 725 CE LYS A 50 -6.499 6.095 -1.860 1.00 0.00 C ATOM 726 NZ LYS A 50 -5.891 7.381 -2.241 1.00 0.00 N ATOM 0 H LYS A 50 -5.169 2.402 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.518 2.888 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.257 4.029 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.268 2.642 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.710 3.383 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.013 3.654 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.510 5.734 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.082 5.573 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.317 6.266 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.763 5.476 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.996 7.508 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.706 7.388 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.541 8.157 -2.002 1.00 0.00 H new ATOM 740 N VAL A 51 -5.109 0.831 -2.291 1.00 0.00 N ATOM 741 CA VAL A 51 -5.313 -0.423 -1.585 1.00 0.00 C ATOM 742 C VAL A 51 -5.533 -0.136 -0.098 1.00 0.00 C ATOM 743 O VAL A 51 -5.362 1.022 0.311 1.00 0.00 O ATOM 744 CB VAL A 51 -4.137 -1.367 -1.845 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.665 -1.268 -3.296 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.988 -1.091 -0.874 1.00 0.00 C ATOM 0 H VAL A 51 -4.684 1.566 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.205 -0.929 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.482 -2.387 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.829 -1.949 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.483 -1.537 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.346 -0.247 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.165 -1.775 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.645 -0.064 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.334 -1.237 0.149 1.00 0.00 H new ATOM 756 N SER A 52 -5.903 -1.179 0.667 1.00 0.00 N ATOM 757 CA SER A 52 -6.142 -1.038 2.093 1.00 0.00 C ATOM 758 C SER A 52 -5.257 -2.027 2.855 1.00 0.00 C ATOM 759 O SER A 52 -5.303 -3.225 2.537 1.00 0.00 O ATOM 760 CB SER A 52 -7.615 -1.270 2.439 1.00 0.00 C ATOM 761 OG SER A 52 -8.286 -0.055 2.757 1.00 0.00 O ATOM 0 H SER A 52 -6.040 -2.125 0.310 1.00 0.00 H new ATOM 0 HA SER A 52 -5.892 -0.018 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.114 -1.750 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.685 -1.955 3.284 1.00 0.00 H new ATOM 0 HG SER A 52 -9.223 -0.245 2.970 1.00 0.00 H new ATOM 767 N PHE A 53 -4.481 -1.516 3.827 1.00 0.00 N ATOM 768 CA PHE A 53 -3.595 -2.348 4.622 1.00 0.00 C ATOM 769 C PHE A 53 -3.544 -1.810 6.053 1.00 0.00 C ATOM 770 O PHE A 53 -4.348 -0.922 6.378 1.00 0.00 O ATOM 771 CB PHE A 53 -2.189 -2.346 3.988 1.00 0.00 C ATOM 772 CG PHE A 53 -1.693 -0.976 3.550 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.363 -0.274 2.521 1.00 0.00 C ATOM 774 CD2 PHE A 53 -0.565 -0.391 4.171 1.00 0.00 C ATOM 775 CE1 PHE A 53 -1.907 0.998 2.116 1.00 0.00 C ATOM 776 CE2 PHE A 53 -0.110 0.880 3.766 1.00 0.00 C ATOM 777 CZ PHE A 53 -0.781 1.575 2.737 1.00 0.00 C ATOM 0 H PHE A 53 -4.458 -0.526 4.072 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.966 -3.373 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.481 -2.762 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.194 -3.010 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.227 -0.713 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.050 -0.920 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.421 1.530 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.752 1.322 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.432 2.548 2.426 1.00 0.00 H new ATOM 787 N THR A 54 -2.618 -2.346 6.867 1.00 0.00 N ATOM 788 CA THR A 54 -2.467 -1.921 8.248 1.00 0.00 C ATOM 789 C THR A 54 -1.037 -1.423 8.471 1.00 0.00 C ATOM 790 O THR A 54 -0.158 -2.255 8.736 1.00 0.00 O ATOM 791 CB THR A 54 -2.853 -3.086 9.162 1.00 0.00 C ATOM 792 OG1 THR A 54 -2.384 -2.688 10.449 1.00 0.00 O ATOM 793 CG2 THR A 54 -2.062 -4.360 8.855 1.00 0.00 C ATOM 0 H THR A 54 -1.966 -3.076 6.580 1.00 0.00 H new ATOM 0 HA THR A 54 -3.128 -1.088 8.485 1.00 0.00 H new ATOM 0 HB THR A 54 -3.919 -3.288 9.061 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.594 -3.386 11.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.375 -5.155 9.532 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.249 -4.666 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.997 -4.168 8.988 1.00 0.00 H new ATOM 801 N ILE A 55 -0.838 -0.097 8.361 1.00 0.00 N ATOM 802 CA ILE A 55 0.472 0.502 8.548 1.00 0.00 C ATOM 803 C ILE A 55 0.852 0.433 10.029 1.00 0.00 C ATOM 804 O ILE A 55 0.927 1.493 10.669 1.00 0.00 O ATOM 805 CB ILE A 55 0.500 1.920 7.973 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.034 1.929 6.515 1.00 0.00 C ATOM 807 CG2 ILE A 55 1.884 2.551 8.136 1.00 0.00 C ATOM 808 CD1 ILE A 55 -1.401 2.449 6.401 1.00 0.00 C ATOM 0 H ILE A 55 -1.577 0.571 8.143 1.00 0.00 H new ATOM 0 HA ILE A 55 1.228 -0.056 7.997 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.201 2.532 8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.700 2.555 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.093 0.921 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.876 3.558 7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.140 2.598 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.624 1.947 7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.707 2.445 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.068 1.807 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.451 3.466 6.790 1.00 0.00 H new ATOM 820 N GLU A 56 1.082 -0.791 10.536 1.00 0.00 N ATOM 821 CA GLU A 56 1.451 -0.994 11.925 1.00 0.00 C ATOM 822 C GLU A 56 1.648 -2.489 12.185 1.00 0.00 C ATOM 823 O GLU A 56 0.739 -3.267 11.863 1.00 0.00 O ATOM 824 CB GLU A 56 0.404 -0.405 12.875 1.00 0.00 C ATOM 825 CG GLU A 56 0.949 0.828 13.596 1.00 0.00 C ATOM 826 CD GLU A 56 -0.182 1.632 14.240 1.00 0.00 C ATOM 827 OE1 GLU A 56 -1.242 1.069 14.552 1.00 0.00 O ATOM 828 OE2 GLU A 56 0.070 2.886 14.414 1.00 0.00 O ATOM 0 H GLU A 56 1.015 -1.651 9.991 1.00 0.00 H new ATOM 0 HA GLU A 56 2.387 -0.470 12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.491 -0.136 12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.108 -1.157 13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.662 0.521 14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.490 1.457 12.889 1.00 0.00 H new ATOM 835 N SER A 57 2.811 -2.853 12.752 1.00 0.00 N ATOM 836 CA SER A 57 3.122 -4.241 13.049 1.00 0.00 C ATOM 837 C SER A 57 3.267 -5.019 11.740 1.00 0.00 C ATOM 838 O SER A 57 2.478 -4.771 10.817 1.00 0.00 O ATOM 839 CB SER A 57 2.045 -4.879 13.929 1.00 0.00 C ATOM 840 OG SER A 57 2.446 -6.155 14.422 1.00 0.00 O ATOM 0 H SER A 57 3.546 -2.195 13.010 1.00 0.00 H new ATOM 0 HA SER A 57 4.061 -4.275 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.824 -4.219 14.768 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.124 -4.985 13.356 1.00 0.00 H new ATOM 0 HG SER A 57 1.733 -6.529 14.981 1.00 0.00 H new ATOM 846 N GLY A 58 4.257 -5.930 11.687 1.00 0.00 N ATOM 847 CA GLY A 58 4.498 -6.733 10.501 1.00 0.00 C ATOM 848 C GLY A 58 5.747 -7.592 10.720 1.00 0.00 C ATOM 849 O GLY A 58 5.739 -8.760 10.305 1.00 0.00 O ATOM 0 H GLY A 58 4.896 -6.119 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.636 -7.368 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.633 -6.089 9.632 1.00 0.00 H new ATOM 853 N ALA A 59 6.777 -7.005 11.354 1.00 0.00 N ATOM 854 CA ALA A 59 8.018 -7.711 11.624 1.00 0.00 C ATOM 855 C ALA A 59 8.817 -6.947 12.683 1.00 0.00 C ATOM 856 O ALA A 59 8.800 -7.366 13.850 1.00 0.00 O ATOM 857 CB ALA A 59 8.884 -7.728 10.362 1.00 0.00 C ATOM 0 H ALA A 59 6.763 -6.040 11.685 1.00 0.00 H new ATOM 0 HA ALA A 59 7.776 -8.721 11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.814 -8.258 10.566 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.347 -8.233 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.108 -6.705 10.061 1.00 0.00 H new ATOM 863 N LYS A 60 9.486 -5.859 12.262 1.00 0.00 N ATOM 864 CA LYS A 60 10.281 -5.047 13.167 1.00 0.00 C ATOM 865 C LYS A 60 9.369 -4.048 13.883 1.00 0.00 C ATOM 866 O LYS A 60 9.257 -4.130 15.115 1.00 0.00 O ATOM 867 CB LYS A 60 11.444 -4.392 12.420 1.00 0.00 C ATOM 868 CG LYS A 60 11.029 -3.993 11.002 1.00 0.00 C ATOM 869 CD LYS A 60 11.478 -5.042 9.983 1.00 0.00 C ATOM 870 CE LYS A 60 12.641 -4.521 9.136 1.00 0.00 C ATOM 871 NZ LYS A 60 12.139 -3.879 7.911 1.00 0.00 N ATOM 0 H LYS A 60 9.484 -5.531 11.296 1.00 0.00 H new ATOM 0 HA LYS A 60 10.738 -5.670 13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.781 -3.511 12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.287 -5.082 12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.946 -3.876 10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.465 -3.026 10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.780 -5.952 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.642 -5.307 9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.228 -3.807 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.307 -5.344 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.708 -3.034 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.208 -4.546 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.145 -3.603 8.046 1.00 0.00 H new ATOM 885 N GLY A 61 8.748 -3.139 13.110 1.00 0.00 N ATOM 886 CA GLY A 61 7.857 -2.136 13.666 1.00 0.00 C ATOM 887 C GLY A 61 6.727 -1.856 12.673 1.00 0.00 C ATOM 888 O GLY A 61 5.743 -2.610 12.671 1.00 0.00 O ATOM 0 H GLY A 61 8.855 -3.088 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.446 -2.484 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.408 -1.219 13.875 1.00 0.00 H new ATOM 892 N PRO A 62 6.888 -0.795 11.861 1.00 0.00 N ATOM 893 CA PRO A 62 5.913 -0.394 10.862 1.00 0.00 C ATOM 894 C PRO A 62 5.946 -1.330 9.654 1.00 0.00 C ATOM 895 O PRO A 62 7.049 -1.666 9.198 1.00 0.00 O ATOM 896 CB PRO A 62 6.274 1.041 10.513 1.00 0.00 C ATOM 897 CG PRO A 62 7.709 1.233 10.977 1.00 0.00 C ATOM 898 CD PRO A 62 8.063 0.071 11.892 1.00 0.00 C ATOM 0 HA PRO A 62 4.888 -0.455 11.228 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.183 1.217 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.605 1.744 11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.385 1.266 10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.816 2.181 11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.951 -0.454 11.540 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.275 0.414 12.904 1.00 0.00 H new ATOM 906 N ALA A 63 4.757 -1.728 9.167 1.00 0.00 N ATOM 907 CA ALA A 63 4.653 -2.618 8.022 1.00 0.00 C ATOM 908 C ALA A 63 3.265 -2.471 7.392 1.00 0.00 C ATOM 909 O ALA A 63 2.352 -1.994 8.081 1.00 0.00 O ATOM 910 CB ALA A 63 4.760 -4.072 8.488 1.00 0.00 C ATOM 0 H ALA A 63 3.859 -1.441 9.557 1.00 0.00 H new ATOM 0 HA ALA A 63 5.446 -2.367 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.682 -4.737 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.720 -4.227 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.954 -4.290 9.189 1.00 0.00 H new ATOM 916 N ALA A 64 3.139 -2.876 6.116 1.00 0.00 N ATOM 917 CA ALA A 64 1.876 -2.789 5.403 1.00 0.00 C ATOM 918 C ALA A 64 1.293 -4.195 5.233 1.00 0.00 C ATOM 919 O ALA A 64 1.508 -4.796 4.171 1.00 0.00 O ATOM 920 CB ALA A 64 2.117 -2.250 3.992 1.00 0.00 C ATOM 0 H ALA A 64 3.905 -3.266 5.566 1.00 0.00 H new ATOM 0 HA ALA A 64 1.205 -2.140 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.168 -2.186 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.566 -1.259 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.789 -2.921 3.456 1.00 0.00 H new ATOM 926 N GLY A 65 0.581 -4.680 6.266 1.00 0.00 N ATOM 927 CA GLY A 65 -0.023 -6.001 6.230 1.00 0.00 C ATOM 928 C GLY A 65 -1.526 -5.862 5.981 1.00 0.00 C ATOM 929 O GLY A 65 -2.043 -4.740 6.100 1.00 0.00 O ATOM 0 H GLY A 65 0.416 -4.167 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.434 -6.601 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.155 -6.521 7.171 1.00 0.00 H new ATOM 933 N ASN A 66 -2.188 -6.984 5.645 1.00 0.00 N ATOM 934 CA ASN A 66 -3.617 -6.987 5.382 1.00 0.00 C ATOM 935 C ASN A 66 -3.912 -6.083 4.182 1.00 0.00 C ATOM 936 O ASN A 66 -4.921 -5.364 4.220 1.00 0.00 O ATOM 937 CB ASN A 66 -4.398 -6.448 6.582 1.00 0.00 C ATOM 938 CG ASN A 66 -5.601 -7.338 6.899 1.00 0.00 C ATOM 939 OD1 ASN A 66 -6.311 -7.801 6.020 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.789 -7.554 8.198 1.00 0.00 N ATOM 0 H ASN A 66 -1.744 -7.897 5.552 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.922 -8.015 5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.743 -6.393 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.737 -5.433 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.565 -8.138 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.157 -7.136 8.881 1.00 0.00 H new ATOM 947 N VAL A 67 -3.041 -6.138 3.159 1.00 0.00 N ATOM 948 CA VAL A 67 -3.208 -5.333 1.961 1.00 0.00 C ATOM 949 C VAL A 67 -4.418 -5.841 1.173 1.00 0.00 C ATOM 950 O VAL A 67 -4.797 -7.006 1.362 1.00 0.00 O ATOM 951 CB VAL A 67 -1.916 -5.339 1.142 1.00 0.00 C ATOM 952 CG1 VAL A 67 -2.217 -5.385 -0.357 1.00 0.00 C ATOM 953 CG2 VAL A 67 -1.042 -4.132 1.489 1.00 0.00 C ATOM 0 H VAL A 67 -2.215 -6.737 3.149 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.405 -4.294 2.225 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.360 -6.241 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.281 -5.388 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.781 -6.289 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.804 -4.510 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.130 -4.160 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.588 -3.214 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.785 -4.161 2.548 1.00 0.00 H new ATOM 963 N THR A 68 -4.989 -4.973 0.320 1.00 0.00 N ATOM 964 CA THR A 68 -6.142 -5.332 -0.487 1.00 0.00 C ATOM 965 C THR A 68 -6.398 -4.235 -1.523 1.00 0.00 C ATOM 966 O THR A 68 -6.546 -3.070 -1.123 1.00 0.00 O ATOM 967 CB THR A 68 -7.332 -5.577 0.444 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.471 -5.424 -0.400 1.00 0.00 O ATOM 969 CG2 THR A 68 -7.493 -4.473 1.491 1.00 0.00 C ATOM 0 H THR A 68 -4.661 -4.017 0.180 1.00 0.00 H new ATOM 0 HA THR A 68 -5.969 -6.253 -1.045 1.00 0.00 H new ATOM 0 HB THR A 68 -7.209 -6.537 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.287 -5.568 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.351 -4.695 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.593 -4.419 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.650 -3.517 0.991 1.00 0.00 H new ATOM 977 N SER A 69 -6.440 -4.620 -2.809 1.00 0.00 N ATOM 978 CA SER A 69 -6.675 -3.676 -3.889 1.00 0.00 C ATOM 979 C SER A 69 -8.101 -3.132 -3.785 1.00 0.00 C ATOM 980 O SER A 69 -9.029 -3.938 -3.615 1.00 0.00 O ATOM 981 CB SER A 69 -6.452 -4.322 -5.258 1.00 0.00 C ATOM 982 OG SER A 69 -7.247 -5.492 -5.431 1.00 0.00 O ATOM 0 H SER A 69 -6.313 -5.584 -3.116 1.00 0.00 H new ATOM 0 HA SER A 69 -5.961 -2.858 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.690 -3.603 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.399 -4.579 -5.371 1.00 0.00 H new ATOM 0 HG SER A 69 -8.014 -5.460 -4.821 1.00 0.00 H new ATOM 988 N LEU A 70 -8.248 -1.798 -3.887 1.00 0.00 N ATOM 989 CA LEU A 70 -9.548 -1.158 -3.805 1.00 0.00 C ATOM 990 C LEU A 70 -10.113 -0.979 -5.216 1.00 0.00 C ATOM 991 O LEU A 70 -9.393 -0.578 -6.129 1.00 0.00 O ATOM 992 CB LEU A 70 -9.455 0.146 -3.010 1.00 0.00 C ATOM 993 CG LEU A 70 -10.153 0.153 -1.649 1.00 0.00 C ATOM 994 CD1 LEU A 70 -9.885 1.461 -0.902 1.00 0.00 C ATOM 995 CD2 LEU A 70 -11.650 -0.125 -1.799 1.00 0.00 C ATOM 0 H LEU A 70 -7.471 -1.152 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.249 -1.788 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.402 0.381 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.876 0.949 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.735 -0.653 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.393 1.440 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.813 1.577 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.259 2.299 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.122 -0.114 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.102 0.643 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.794 -1.102 -2.260 1.00 0.00 H new