USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 422 hydrogens (29 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 147:sc= -0.132 (180deg=-1.06) USER MOD Single : A 34 SER OG : rot 180:sc= -0.303 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.18) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 34:sc= 0.808 USER MOD Single : A 47 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.58) USER MOD Single : A 48 THR OG1 : rot 43:sc= 0.287 USER MOD Single : A 51 ASN : amide:sc=-0.00523 X(o=-0.0052,f=-0.0052) USER MOD Single : A 52 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.69) USER MOD Single : A 55 CYS SG : rot 65:sc= -0.0213 USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 57.329 -10.127 2.828 1.00-10.00 C HETATM 2 O1 MYR A 1 57.810 -11.208 2.537 1.00-10.00 O HETATM 3 C2 MYR A 1 57.767 -8.850 2.100 1.00-10.00 C HETATM 4 C3 MYR A 1 56.534 -8.064 1.633 1.00-10.00 C HETATM 5 C4 MYR A 1 55.662 -8.950 0.734 1.00-10.00 C HETATM 6 C5 MYR A 1 54.462 -8.147 0.221 1.00-10.00 C HETATM 7 C6 MYR A 1 53.517 -7.817 1.380 1.00-10.00 C HETATM 8 C7 MYR A 1 53.216 -6.315 1.376 1.00-10.00 C HETATM 9 C8 MYR A 1 53.032 -5.820 2.813 1.00-10.00 C HETATM 10 C9 MYR A 1 54.338 -5.193 3.310 1.00-10.00 C HETATM 11 C10 MYR A 1 54.178 -4.752 4.768 1.00-10.00 C HETATM 12 C11 MYR A 1 54.389 -5.954 5.696 1.00-10.00 C HETATM 13 C12 MYR A 1 55.826 -5.952 6.230 1.00-10.00 C HETATM 14 C13 MYR A 1 55.804 -5.977 7.761 1.00-10.00 C HETATM 15 C14 MYR A 1 57.229 -6.154 8.293 1.00-10.00 C HETATM 0 H143 MYR A 1 57.642 -7.092 7.922 1.00-10.00 H new HETATM 0 H142 MYR A 1 57.850 -5.325 7.954 1.00-10.00 H new HETATM 0 H141 MYR A 1 57.211 -6.171 9.383 1.00-10.00 H new HETATM 0 H132 MYR A 1 55.375 -5.051 8.144 1.00-10.00 H new HETATM 0 H131 MYR A 1 55.170 -6.791 8.112 1.00-10.00 H new HETATM 0 H122 MYR A 1 56.367 -6.818 5.850 1.00-10.00 H new HETATM 0 H121 MYR A 1 56.354 -5.066 5.878 1.00-10.00 H new HETATM 0 H112 MYR A 1 53.683 -5.913 6.525 1.00-10.00 H new HETATM 0 H111 MYR A 1 54.193 -6.881 5.156 1.00-10.00 H new HETATM 0 H102 MYR A 1 54.898 -3.968 5.002 1.00-10.00 H new HETATM 0 H101 MYR A 1 53.185 -4.330 4.924 1.00-10.00 H new HETATM 0 H92 MYR A 1 55.153 -5.912 3.225 1.00-10.00 H new HETATM 0 H91 MYR A 1 54.601 -4.337 2.688 1.00-10.00 H new HETATM 0 H82 MYR A 1 52.226 -5.088 2.856 1.00-10.00 H new HETATM 0 H81 MYR A 1 52.745 -6.649 3.460 1.00-10.00 H new HETATM 0 H72 MYR A 1 54.031 -5.773 0.896 1.00-10.00 H new HETATM 0 H71 MYR A 1 52.315 -6.117 0.795 1.00-10.00 H new HETATM 0 H62 MYR A 1 52.592 -8.385 1.283 1.00-10.00 H new HETATM 0 H61 MYR A 1 53.971 -8.106 2.328 1.00-10.00 H new HETATM 0 H52 MYR A 1 54.805 -7.227 -0.252 1.00-10.00 H new HETATM 0 H51 MYR A 1 53.931 -8.718 -0.541 1.00-10.00 H new HETATM 0 H42 MYR A 1 56.249 -9.321 -0.106 1.00-10.00 H new HETATM 0 H41 MYR A 1 55.317 -9.821 1.291 1.00-10.00 H new HETATM 0 H32 MYR A 1 55.958 -7.727 2.495 1.00-10.00 H new HETATM 0 H31 MYR A 1 56.845 -7.172 1.089 1.00-10.00 H new HETATM 0 H22 MYR A 1 58.372 -8.233 2.764 1.00-10.00 H new HETATM 0 H21 MYR A 1 58.392 -9.105 1.244 1.00-10.00 H new ATOM 43 N GLY A 2 56.422 -10.009 3.771 1.00-10.00 N ATOM 44 CA GLY A 2 55.949 -11.212 4.523 1.00-10.00 C ATOM 45 C GLY A 2 54.741 -11.845 3.820 1.00-10.00 C ATOM 46 O GLY A 2 54.557 -13.048 3.872 1.00-10.00 O ATOM 0 HA2 GLY A 2 56.756 -11.941 4.599 1.00-10.00 H new ATOM 0 HA3 GLY A 2 55.678 -10.929 5.540 1.00-10.00 H new ATOM 50 N GLY A 3 53.915 -11.048 3.173 1.00-10.00 N ATOM 51 CA GLY A 3 52.710 -11.604 2.479 1.00-10.00 C ATOM 52 C GLY A 3 51.709 -12.108 3.524 1.00-10.00 C ATOM 53 O GLY A 3 52.087 -12.449 4.628 1.00-10.00 O ATOM 0 H GLY A 3 54.027 -10.037 3.098 1.00-10.00 H new ATOM 0 HA2 GLY A 3 52.248 -10.837 1.857 1.00-10.00 H new ATOM 0 HA3 GLY A 3 53.002 -12.419 1.816 1.00-10.00 H new ATOM 57 N LYS A 4 50.438 -12.161 3.178 1.00-10.00 N ATOM 58 CA LYS A 4 49.386 -12.635 4.144 1.00-10.00 C ATOM 59 C LYS A 4 49.483 -11.829 5.460 1.00-10.00 C ATOM 60 O LYS A 4 50.378 -12.023 6.264 1.00-10.00 O ATOM 61 CB LYS A 4 49.596 -14.138 4.409 1.00-10.00 C ATOM 62 CG LYS A 4 48.896 -14.558 5.708 1.00-10.00 C ATOM 63 CD LYS A 4 49.945 -14.880 6.778 1.00-10.00 C ATOM 64 CE LYS A 4 50.365 -16.351 6.664 1.00-10.00 C ATOM 65 NZ LYS A 4 51.853 -16.456 6.692 1.00-10.00 N ATOM 0 H LYS A 4 50.082 -11.894 2.260 1.00-10.00 H new ATOM 0 HA LYS A 4 48.393 -12.481 3.722 1.00-10.00 H new ATOM 0 HB2 LYS A 4 49.204 -14.719 3.574 1.00-10.00 H new ATOM 0 HB3 LYS A 4 50.662 -14.356 4.477 1.00-10.00 H new ATOM 0 HG2 LYS A 4 48.242 -13.758 6.055 1.00-10.00 H new ATOM 0 HG3 LYS A 4 48.266 -15.429 5.528 1.00-10.00 H new ATOM 0 HD2 LYS A 4 50.814 -14.233 6.656 1.00-10.00 H new ATOM 0 HD3 LYS A 4 49.539 -14.684 7.770 1.00-10.00 H new ATOM 0 HE2 LYS A 4 49.935 -16.926 7.484 1.00-10.00 H new ATOM 0 HE3 LYS A 4 49.979 -16.778 5.739 1.00-10.00 H new ATOM 0 HZ1 LYS A 4 52.132 -17.455 6.614 1.00-10.00 H new ATOM 0 HZ2 LYS A 4 52.254 -15.922 5.895 1.00-10.00 H new ATOM 0 HZ3 LYS A 4 52.212 -16.065 7.586 1.00-10.00 H new ATOM 79 N TRP A 5 48.574 -10.905 5.675 1.00-10.00 N ATOM 80 CA TRP A 5 48.637 -10.064 6.927 1.00-10.00 C ATOM 81 C TRP A 5 48.415 -10.913 8.204 1.00-10.00 C ATOM 82 O TRP A 5 47.378 -11.529 8.378 1.00-10.00 O ATOM 83 CB TRP A 5 47.579 -8.959 6.843 1.00-10.00 C ATOM 84 CG TRP A 5 48.206 -7.728 6.263 1.00-10.00 C ATOM 85 CD1 TRP A 5 48.474 -6.595 6.952 1.00-10.00 C ATOM 86 CD2 TRP A 5 48.658 -7.491 4.895 1.00-10.00 C ATOM 87 NE1 TRP A 5 49.058 -5.678 6.096 1.00-10.00 N ATOM 88 CE2 TRP A 5 49.194 -6.184 4.818 1.00-10.00 C ATOM 89 CE3 TRP A 5 48.654 -8.274 3.724 1.00-10.00 C ATOM 90 CZ2 TRP A 5 49.710 -5.672 3.624 1.00-10.00 C ATOM 91 CZ3 TRP A 5 49.171 -7.761 2.523 1.00-10.00 C ATOM 92 CH2 TRP A 5 49.698 -6.464 2.474 1.00-10.00 C ATOM 0 H TRP A 5 47.797 -10.694 5.048 1.00-10.00 H new ATOM 0 HA TRP A 5 49.633 -9.627 6.995 1.00-10.00 H new ATOM 0 HB2 TRP A 5 46.743 -9.284 6.223 1.00-10.00 H new ATOM 0 HB3 TRP A 5 47.177 -8.746 7.834 1.00-10.00 H new ATOM 0 HD1 TRP A 5 48.266 -6.433 7.999 1.00-10.00 H new ATOM 0 HE1 TRP A 5 49.352 -4.742 6.375 1.00-10.00 H new ATOM 0 HE3 TRP A 5 48.251 -9.276 3.750 1.00-10.00 H new ATOM 0 HZ2 TRP A 5 50.115 -4.671 3.591 1.00-10.00 H new ATOM 0 HZ3 TRP A 5 49.162 -8.370 1.631 1.00-10.00 H new ATOM 0 HH2 TRP A 5 50.095 -6.077 1.547 1.00-10.00 H new ATOM 103 N SER A 6 49.396 -10.931 9.104 1.00-10.00 N ATOM 104 CA SER A 6 49.269 -11.724 10.389 1.00-10.00 C ATOM 105 C SER A 6 50.491 -11.473 11.315 1.00-10.00 C ATOM 106 O SER A 6 51.568 -11.142 10.850 1.00-10.00 O ATOM 107 CB SER A 6 49.185 -13.218 10.054 1.00-10.00 C ATOM 108 OG SER A 6 48.258 -13.847 10.931 1.00-10.00 O ATOM 0 H SER A 6 50.278 -10.429 9.000 1.00-10.00 H new ATOM 0 HA SER A 6 48.366 -11.404 10.910 1.00-10.00 H new ATOM 0 HB2 SER A 6 48.872 -13.353 9.019 1.00-10.00 H new ATOM 0 HB3 SER A 6 50.167 -13.680 10.153 1.00-10.00 H new ATOM 0 HG SER A 6 48.202 -14.802 10.717 1.00-10.00 H new ATOM 114 N LYS A 7 50.329 -11.632 12.629 1.00-10.00 N ATOM 115 CA LYS A 7 51.482 -11.402 13.587 1.00-10.00 C ATOM 116 C LYS A 7 51.169 -11.982 14.994 1.00-10.00 C ATOM 117 O LYS A 7 50.026 -12.229 15.334 1.00-10.00 O ATOM 118 CB LYS A 7 51.742 -9.892 13.707 1.00-10.00 C ATOM 119 CG LYS A 7 53.131 -9.638 14.308 1.00-10.00 C ATOM 120 CD LYS A 7 54.211 -10.236 13.399 1.00-10.00 C ATOM 121 CE LYS A 7 55.594 -9.850 13.928 1.00-10.00 C ATOM 122 NZ LYS A 7 56.063 -10.878 14.904 1.00-10.00 N ATOM 0 H LYS A 7 49.453 -11.909 13.072 1.00-10.00 H new ATOM 0 HA LYS A 7 52.363 -11.911 13.196 1.00-10.00 H new ATOM 0 HB2 LYS A 7 51.672 -9.425 12.725 1.00-10.00 H new ATOM 0 HB3 LYS A 7 50.977 -9.433 14.334 1.00-10.00 H new ATOM 0 HG2 LYS A 7 53.295 -8.567 14.426 1.00-10.00 H new ATOM 0 HG3 LYS A 7 53.193 -10.082 15.302 1.00-10.00 H new ATOM 0 HD2 LYS A 7 54.113 -11.321 13.365 1.00-10.00 H new ATOM 0 HD3 LYS A 7 54.085 -9.872 12.379 1.00-10.00 H new ATOM 0 HE2 LYS A 7 56.301 -9.769 13.102 1.00-10.00 H new ATOM 0 HE3 LYS A 7 55.551 -8.872 14.407 1.00-10.00 H new ATOM 0 HZ1 LYS A 7 57.003 -10.613 15.262 1.00-10.00 H new ATOM 0 HZ2 LYS A 7 55.393 -10.934 15.698 1.00-10.00 H new ATOM 0 HZ3 LYS A 7 56.120 -11.803 14.433 1.00-10.00 H new ATOM 136 N SER A 8 52.198 -12.195 15.811 1.00-10.00 N ATOM 137 CA SER A 8 52.002 -12.756 17.204 1.00-10.00 C ATOM 138 C SER A 8 52.994 -12.088 18.201 1.00-10.00 C ATOM 139 O SER A 8 53.600 -11.078 17.885 1.00-10.00 O ATOM 140 CB SER A 8 52.248 -14.267 17.171 1.00-10.00 C ATOM 141 OG SER A 8 51.393 -14.905 18.110 1.00-10.00 O ATOM 0 H SER A 8 53.169 -12.002 15.567 1.00-10.00 H new ATOM 0 HA SER A 8 50.984 -12.550 17.535 1.00-10.00 H new ATOM 0 HB2 SER A 8 52.061 -14.655 16.170 1.00-10.00 H new ATOM 0 HB3 SER A 8 53.290 -14.482 17.407 1.00-10.00 H new ATOM 0 HG SER A 8 51.548 -15.872 18.089 1.00-10.00 H new ATOM 147 N SER A 9 53.163 -12.639 19.409 1.00-10.00 N ATOM 148 CA SER A 9 54.115 -12.011 20.409 1.00-10.00 C ATOM 149 C SER A 9 54.417 -12.949 21.613 1.00-10.00 C ATOM 150 O SER A 9 53.841 -14.015 21.748 1.00-10.00 O ATOM 151 CB SER A 9 53.495 -10.708 20.929 1.00-10.00 C ATOM 152 OG SER A 9 52.445 -11.004 21.846 1.00-10.00 O ATOM 0 H SER A 9 52.689 -13.481 19.734 1.00-10.00 H new ATOM 0 HA SER A 9 55.059 -11.822 19.898 1.00-10.00 H new ATOM 0 HB2 SER A 9 54.257 -10.102 21.419 1.00-10.00 H new ATOM 0 HB3 SER A 9 53.108 -10.121 20.096 1.00-10.00 H new ATOM 0 HG SER A 9 52.054 -10.168 22.176 1.00-10.00 H new ATOM 158 N VAL A 10 55.330 -12.529 22.487 1.00-10.00 N ATOM 159 CA VAL A 10 55.713 -13.343 23.704 1.00-10.00 C ATOM 160 C VAL A 10 55.397 -12.545 24.999 1.00-10.00 C ATOM 161 O VAL A 10 54.803 -11.483 24.948 1.00-10.00 O ATOM 162 CB VAL A 10 57.224 -13.672 23.626 1.00-10.00 C ATOM 163 CG1 VAL A 10 58.064 -12.568 24.282 1.00-10.00 C ATOM 164 CG2 VAL A 10 57.508 -15.006 24.325 1.00-10.00 C ATOM 0 H VAL A 10 55.830 -11.644 22.402 1.00-10.00 H new ATOM 0 HA VAL A 10 55.139 -14.270 23.727 1.00-10.00 H new ATOM 0 HB VAL A 10 57.498 -13.741 22.573 1.00-10.00 H new ATOM 0 HG11 VAL A 10 59.121 -12.825 24.213 1.00-10.00 H new ATOM 0 HG12 VAL A 10 57.886 -11.623 23.770 1.00-10.00 H new ATOM 0 HG13 VAL A 10 57.782 -12.471 25.330 1.00-10.00 H new ATOM 0 HG21 VAL A 10 58.573 -15.229 24.265 1.00-10.00 H new ATOM 0 HG22 VAL A 10 57.210 -14.939 25.371 1.00-10.00 H new ATOM 0 HG23 VAL A 10 56.943 -15.800 23.837 1.00-10.00 H new ATOM 174 N VAL A 11 55.796 -13.051 26.159 1.00-10.00 N ATOM 175 CA VAL A 11 55.524 -12.322 27.456 1.00-10.00 C ATOM 176 C VAL A 11 56.793 -12.309 28.352 1.00-10.00 C ATOM 177 O VAL A 11 57.791 -12.932 28.031 1.00-10.00 O ATOM 178 CB VAL A 11 54.352 -13.003 28.190 1.00-10.00 C ATOM 179 CG1 VAL A 11 54.851 -14.194 29.017 1.00-10.00 C ATOM 180 CG2 VAL A 11 53.669 -11.991 29.117 1.00-10.00 C ATOM 0 H VAL A 11 56.296 -13.934 26.261 1.00-10.00 H new ATOM 0 HA VAL A 11 55.257 -11.288 27.235 1.00-10.00 H new ATOM 0 HB VAL A 11 53.640 -13.365 27.448 1.00-10.00 H new ATOM 0 HG11 VAL A 11 54.009 -14.661 29.527 1.00-10.00 H new ATOM 0 HG12 VAL A 11 55.325 -14.922 28.358 1.00-10.00 H new ATOM 0 HG13 VAL A 11 55.575 -13.847 29.754 1.00-10.00 H new ATOM 0 HG21 VAL A 11 52.841 -12.474 29.635 1.00-10.00 H new ATOM 0 HG22 VAL A 11 54.389 -11.623 29.848 1.00-10.00 H new ATOM 0 HG23 VAL A 11 53.291 -11.155 28.528 1.00-10.00 H new ATOM 190 N GLY A 12 56.758 -11.590 29.467 1.00-10.00 N ATOM 191 CA GLY A 12 57.961 -11.514 30.383 1.00-10.00 C ATOM 192 C GLY A 12 57.562 -11.704 31.868 1.00-10.00 C ATOM 193 O GLY A 12 56.484 -12.184 32.173 1.00-10.00 O ATOM 0 H GLY A 12 55.949 -11.054 29.780 1.00-10.00 H new ATOM 0 HA2 GLY A 12 58.684 -12.279 30.099 1.00-10.00 H new ATOM 0 HA3 GLY A 12 58.453 -10.549 30.259 1.00-10.00 H new ATOM 197 N TRP A 13 58.450 -11.342 32.796 1.00-10.00 N ATOM 198 CA TRP A 13 58.151 -11.515 34.270 1.00-10.00 C ATOM 199 C TRP A 13 58.921 -10.473 35.141 1.00-10.00 C ATOM 200 O TRP A 13 60.133 -10.521 35.222 1.00-10.00 O ATOM 201 CB TRP A 13 58.564 -12.939 34.705 1.00-10.00 C ATOM 202 CG TRP A 13 59.969 -13.244 34.259 1.00-10.00 C ATOM 203 CD1 TRP A 13 61.075 -13.131 35.035 1.00-10.00 C ATOM 204 CD2 TRP A 13 60.433 -13.715 32.957 1.00-10.00 C ATOM 205 NE1 TRP A 13 62.184 -13.493 34.290 1.00-10.00 N ATOM 206 CE2 TRP A 13 61.840 -13.863 33.005 1.00-10.00 C ATOM 207 CE3 TRP A 13 59.777 -14.023 31.751 1.00-10.00 C ATOM 208 CZ2 TRP A 13 62.569 -14.300 31.895 1.00-10.00 C ATOM 209 CZ3 TRP A 13 60.506 -14.463 30.634 1.00-10.00 C ATOM 210 CH2 TRP A 13 61.899 -14.601 30.706 1.00-10.00 C ATOM 0 H TRP A 13 59.363 -10.937 32.591 1.00-10.00 H new ATOM 0 HA TRP A 13 57.083 -11.359 34.420 1.00-10.00 H new ATOM 0 HB2 TRP A 13 58.494 -13.028 35.789 1.00-10.00 H new ATOM 0 HB3 TRP A 13 57.875 -13.669 34.280 1.00-10.00 H new ATOM 0 HD1 TRP A 13 61.089 -12.811 36.066 1.00-10.00 H new ATOM 0 HE1 TRP A 13 63.139 -13.487 34.647 1.00-10.00 H new ATOM 0 HE3 TRP A 13 58.704 -13.920 31.684 1.00-10.00 H new ATOM 0 HZ2 TRP A 13 63.642 -14.404 31.956 1.00-10.00 H new ATOM 0 HZ3 TRP A 13 59.990 -14.696 29.714 1.00-10.00 H new ATOM 0 HH2 TRP A 13 62.454 -14.940 29.844 1.00-10.00 H new ATOM 221 N PRO A 14 58.186 -9.565 35.782 1.00-10.00 N ATOM 222 CA PRO A 14 58.769 -8.520 36.674 1.00-10.00 C ATOM 223 C PRO A 14 58.923 -9.047 38.126 1.00-10.00 C ATOM 224 O PRO A 14 57.971 -9.062 38.888 1.00-10.00 O ATOM 225 CB PRO A 14 57.715 -7.408 36.634 1.00-10.00 C ATOM 226 CG PRO A 14 56.373 -8.088 36.250 1.00-10.00 C ATOM 227 CD PRO A 14 56.717 -9.469 35.651 1.00-10.00 C ATOM 0 HA PRO A 14 59.762 -8.201 36.358 1.00-10.00 H new ATOM 0 HB2 PRO A 14 57.636 -6.913 37.602 1.00-10.00 H new ATOM 0 HB3 PRO A 14 57.985 -6.643 35.906 1.00-10.00 H new ATOM 0 HG2 PRO A 14 55.732 -8.197 37.125 1.00-10.00 H new ATOM 0 HG3 PRO A 14 55.826 -7.481 35.528 1.00-10.00 H new ATOM 0 HD2 PRO A 14 56.216 -10.273 36.190 1.00-10.00 H new ATOM 0 HD3 PRO A 14 56.405 -9.540 34.609 1.00-10.00 H new ATOM 235 N ALA A 15 60.103 -9.497 38.505 1.00-10.00 N ATOM 236 CA ALA A 15 60.311 -10.043 39.896 1.00-10.00 C ATOM 237 C ALA A 15 60.804 -8.975 40.904 1.00-10.00 C ATOM 238 O ALA A 15 60.289 -8.867 42.001 1.00-10.00 O ATOM 239 CB ALA A 15 61.334 -11.181 39.835 1.00-10.00 C ATOM 0 H ALA A 15 60.932 -9.510 37.911 1.00-10.00 H new ATOM 0 HA ALA A 15 59.342 -10.395 40.251 1.00-10.00 H new ATOM 0 HB1 ALA A 15 61.492 -11.583 40.836 1.00-10.00 H new ATOM 0 HB2 ALA A 15 60.962 -11.970 39.182 1.00-10.00 H new ATOM 0 HB3 ALA A 15 62.278 -10.801 39.444 1.00-10.00 H new ATOM 245 N VAL A 16 61.839 -8.244 40.555 1.00-10.00 N ATOM 246 CA VAL A 16 62.454 -7.225 41.492 1.00-10.00 C ATOM 247 C VAL A 16 61.456 -6.158 41.997 1.00-10.00 C ATOM 248 O VAL A 16 61.715 -5.503 42.990 1.00-10.00 O ATOM 249 CB VAL A 16 63.626 -6.538 40.773 1.00-10.00 C ATOM 250 CG1 VAL A 16 63.126 -5.348 39.945 1.00-10.00 C ATOM 251 CG2 VAL A 16 64.643 -6.048 41.810 1.00-10.00 C ATOM 0 H VAL A 16 62.297 -8.307 39.646 1.00-10.00 H new ATOM 0 HA VAL A 16 62.791 -7.766 42.376 1.00-10.00 H new ATOM 0 HB VAL A 16 64.097 -7.257 40.103 1.00-10.00 H new ATOM 0 HG11 VAL A 16 63.969 -4.874 39.443 1.00-10.00 H new ATOM 0 HG12 VAL A 16 62.411 -5.698 39.201 1.00-10.00 H new ATOM 0 HG13 VAL A 16 62.642 -4.625 40.602 1.00-10.00 H new ATOM 0 HG21 VAL A 16 65.475 -5.561 41.302 1.00-10.00 H new ATOM 0 HG22 VAL A 16 64.163 -5.338 42.483 1.00-10.00 H new ATOM 0 HG23 VAL A 16 65.015 -6.897 42.384 1.00-10.00 H new ATOM 261 N ARG A 17 60.358 -5.951 41.316 1.00-10.00 N ATOM 262 CA ARG A 17 59.367 -4.895 41.738 1.00-10.00 C ATOM 263 C ARG A 17 59.072 -4.925 43.257 1.00-10.00 C ATOM 264 O ARG A 17 58.833 -3.891 43.855 1.00-10.00 O ATOM 265 CB ARG A 17 58.055 -5.116 40.976 1.00-10.00 C ATOM 266 CG ARG A 17 57.098 -3.947 41.239 1.00-10.00 C ATOM 267 CD ARG A 17 56.047 -4.358 42.280 1.00-10.00 C ATOM 268 NE ARG A 17 56.154 -3.471 43.478 1.00-10.00 N ATOM 269 CZ ARG A 17 55.212 -3.475 44.387 1.00-10.00 C ATOM 270 NH1 ARG A 17 55.279 -4.305 45.397 1.00-10.00 N ATOM 271 NH2 ARG A 17 54.210 -2.640 44.292 1.00-10.00 N ATOM 0 H ARG A 17 60.097 -6.469 40.477 1.00-10.00 H new ATOM 0 HA ARG A 17 59.805 -3.924 41.508 1.00-10.00 H new ATOM 0 HB2 ARG A 17 58.254 -5.202 39.908 1.00-10.00 H new ATOM 0 HB3 ARG A 17 57.595 -6.053 41.290 1.00-10.00 H new ATOM 0 HG2 ARG A 17 57.656 -3.081 41.595 1.00-10.00 H new ATOM 0 HG3 ARG A 17 56.608 -3.651 40.312 1.00-10.00 H new ATOM 0 HD2 ARG A 17 55.048 -4.287 41.850 1.00-10.00 H new ATOM 0 HD3 ARG A 17 56.196 -5.398 42.571 1.00-10.00 H new ATOM 0 HE ARG A 17 56.964 -2.860 43.588 1.00-10.00 H new ATOM 0 HH11 ARG A 17 56.066 -4.949 45.476 1.00-10.00 H new ATOM 0 HH12 ARG A 17 54.545 -4.307 46.105 1.00-10.00 H new ATOM 0 HH21 ARG A 17 54.163 -1.987 43.510 1.00-10.00 H new ATOM 0 HH22 ARG A 17 53.475 -2.642 45.000 1.00-10.00 H new ATOM 285 N GLU A 18 59.040 -6.088 43.871 1.00-10.00 N ATOM 286 CA GLU A 18 58.702 -6.180 45.337 1.00-10.00 C ATOM 287 C GLU A 18 59.587 -5.273 46.223 1.00-10.00 C ATOM 288 O GLU A 18 59.104 -4.308 46.790 1.00-10.00 O ATOM 289 CB GLU A 18 58.851 -7.635 45.801 1.00-10.00 C ATOM 290 CG GLU A 18 57.740 -7.974 46.804 1.00-10.00 C ATOM 291 CD GLU A 18 57.906 -7.132 48.075 1.00-10.00 C ATOM 292 OE1 GLU A 18 58.770 -7.461 48.874 1.00-10.00 O ATOM 293 OE2 GLU A 18 57.167 -6.172 48.229 1.00-10.00 O ATOM 0 H GLU A 18 59.234 -6.982 43.420 1.00-10.00 H new ATOM 0 HA GLU A 18 57.674 -5.834 45.449 1.00-10.00 H new ATOM 0 HB2 GLU A 18 58.799 -8.307 44.945 1.00-10.00 H new ATOM 0 HB3 GLU A 18 59.828 -7.782 46.262 1.00-10.00 H new ATOM 0 HG2 GLU A 18 56.764 -7.784 46.357 1.00-10.00 H new ATOM 0 HG3 GLU A 18 57.775 -9.035 47.053 1.00-10.00 H new ATOM 300 N ARG A 19 60.853 -5.593 46.384 1.00-10.00 N ATOM 301 CA ARG A 19 61.742 -4.767 47.277 1.00-10.00 C ATOM 302 C ARG A 19 62.080 -3.398 46.649 1.00-10.00 C ATOM 303 O ARG A 19 62.525 -2.495 47.338 1.00-10.00 O ATOM 304 CB ARG A 19 63.037 -5.544 47.562 1.00-10.00 C ATOM 305 CG ARG A 19 63.959 -5.503 46.338 1.00-10.00 C ATOM 306 CD ARG A 19 64.998 -4.393 46.520 1.00-10.00 C ATOM 307 NE ARG A 19 66.314 -4.992 46.883 1.00-10.00 N ATOM 308 CZ ARG A 19 67.421 -4.411 46.506 1.00-10.00 C ATOM 309 NH1 ARG A 19 67.884 -4.609 45.301 1.00-10.00 N ATOM 310 NH2 ARG A 19 68.065 -3.631 47.337 1.00-10.00 N ATOM 0 H ARG A 19 61.310 -6.388 45.938 1.00-10.00 H new ATOM 0 HA ARG A 19 61.204 -4.577 48.206 1.00-10.00 H new ATOM 0 HB2 ARG A 19 63.546 -5.113 48.424 1.00-10.00 H new ATOM 0 HB3 ARG A 19 62.801 -6.578 47.815 1.00-10.00 H new ATOM 0 HG2 ARG A 19 64.456 -6.465 46.211 1.00-10.00 H new ATOM 0 HG3 ARG A 19 63.375 -5.325 45.435 1.00-10.00 H new ATOM 0 HD2 ARG A 19 65.092 -3.815 45.601 1.00-10.00 H new ATOM 0 HD3 ARG A 19 64.674 -3.703 47.299 1.00-10.00 H new ATOM 0 HE ARG A 19 66.350 -5.855 47.425 1.00-10.00 H new ATOM 0 HH11 ARG A 19 67.381 -5.217 44.655 1.00-10.00 H new ATOM 0 HH12 ARG A 19 68.749 -4.155 45.006 1.00-10.00 H new ATOM 0 HH21 ARG A 19 67.702 -3.478 48.278 1.00-10.00 H new ATOM 0 HH22 ARG A 19 68.930 -3.177 47.044 1.00-10.00 H new ATOM 324 N MET A 20 61.897 -3.248 45.357 1.00-10.00 N ATOM 325 CA MET A 20 62.230 -1.955 44.667 1.00-10.00 C ATOM 326 C MET A 20 61.570 -0.745 45.358 1.00-10.00 C ATOM 327 O MET A 20 62.131 0.336 45.375 1.00-10.00 O ATOM 328 CB MET A 20 61.746 -2.024 43.215 1.00-10.00 C ATOM 329 CG MET A 20 62.505 -0.999 42.371 1.00-10.00 C ATOM 330 SD MET A 20 61.923 -1.076 40.659 1.00-10.00 S ATOM 331 CE MET A 20 60.270 -0.390 40.940 1.00-10.00 C ATOM 0 H MET A 20 61.527 -3.974 44.743 1.00-10.00 H new ATOM 0 HA MET A 20 63.311 -1.820 44.712 1.00-10.00 H new ATOM 0 HB2 MET A 20 61.903 -3.026 42.816 1.00-10.00 H new ATOM 0 HB3 MET A 20 60.675 -1.827 43.168 1.00-10.00 H new ATOM 0 HG2 MET A 20 62.353 0.003 42.773 1.00-10.00 H new ATOM 0 HG3 MET A 20 63.576 -1.200 42.412 1.00-10.00 H new ATOM 0 HE1 MET A 20 59.961 0.183 40.066 1.00-10.00 H new ATOM 0 HE2 MET A 20 59.563 -1.202 41.110 1.00-10.00 H new ATOM 0 HE3 MET A 20 60.290 0.262 41.813 1.00-10.00 H new ATOM 341 N ARG A 21 60.382 -0.907 45.895 1.00-10.00 N ATOM 342 CA ARG A 21 59.678 0.247 46.549 1.00-10.00 C ATOM 343 C ARG A 21 60.235 0.539 47.951 1.00-10.00 C ATOM 344 O ARG A 21 60.306 1.684 48.362 1.00-10.00 O ATOM 345 CB ARG A 21 58.184 -0.076 46.666 1.00-10.00 C ATOM 346 CG ARG A 21 57.370 1.223 46.619 1.00-10.00 C ATOM 347 CD ARG A 21 57.037 1.678 48.045 1.00-10.00 C ATOM 348 NE ARG A 21 56.425 3.038 48.005 1.00-10.00 N ATOM 349 CZ ARG A 21 57.172 4.100 48.166 1.00-10.00 C ATOM 350 NH1 ARG A 21 57.510 4.487 49.368 1.00-10.00 N ATOM 351 NH2 ARG A 21 57.579 4.776 47.123 1.00-10.00 N ATOM 0 H ARG A 21 59.869 -1.788 45.909 1.00-10.00 H new ATOM 0 HA ARG A 21 59.838 1.130 45.930 1.00-10.00 H new ATOM 0 HB2 ARG A 21 57.880 -0.737 45.854 1.00-10.00 H new ATOM 0 HB3 ARG A 21 57.988 -0.606 47.598 1.00-10.00 H new ATOM 0 HG2 ARG A 21 57.935 1.999 46.102 1.00-10.00 H new ATOM 0 HG3 ARG A 21 56.452 1.067 46.053 1.00-10.00 H new ATOM 0 HD2 ARG A 21 56.350 0.972 48.512 1.00-10.00 H new ATOM 0 HD3 ARG A 21 57.941 1.693 48.654 1.00-10.00 H new ATOM 0 HE ARG A 21 55.422 3.140 47.852 1.00-10.00 H new ATOM 0 HH11 ARG A 21 57.191 3.961 50.182 1.00-10.00 H new ATOM 0 HH12 ARG A 21 58.092 5.315 49.492 1.00-10.00 H new ATOM 0 HH21 ARG A 21 57.314 4.475 46.185 1.00-10.00 H new ATOM 0 HH22 ARG A 21 58.161 5.604 47.247 1.00-10.00 H new ATOM 365 N ARG A 22 60.598 -0.478 48.695 1.00-10.00 N ATOM 366 CA ARG A 22 61.114 -0.258 50.088 1.00-10.00 C ATOM 367 C ARG A 22 62.441 0.515 50.074 1.00-10.00 C ATOM 368 O ARG A 22 62.578 1.516 50.753 1.00-10.00 O ATOM 369 CB ARG A 22 61.309 -1.611 50.786 1.00-10.00 C ATOM 370 CG ARG A 22 61.688 -1.389 52.255 1.00-10.00 C ATOM 371 CD ARG A 22 60.501 -0.785 53.015 1.00-10.00 C ATOM 372 NE ARG A 22 60.995 0.198 54.025 1.00-10.00 N ATOM 373 CZ ARG A 22 61.440 1.368 53.642 1.00-10.00 C ATOM 374 NH1 ARG A 22 60.604 2.274 53.204 1.00-10.00 N ATOM 375 NH2 ARG A 22 62.720 1.632 53.708 1.00-10.00 N ATOM 0 H ARG A 22 60.560 -1.453 48.399 1.00-10.00 H new ATOM 0 HA ARG A 22 60.381 0.336 50.634 1.00-10.00 H new ATOM 0 HB2 ARG A 22 60.393 -2.199 50.722 1.00-10.00 H new ATOM 0 HB3 ARG A 22 62.089 -2.181 50.282 1.00-10.00 H new ATOM 0 HG2 ARG A 22 61.980 -2.335 52.711 1.00-10.00 H new ATOM 0 HG3 ARG A 22 62.549 -0.724 52.321 1.00-10.00 H new ATOM 0 HD2 ARG A 22 59.823 -0.294 52.317 1.00-10.00 H new ATOM 0 HD3 ARG A 22 59.934 -1.574 53.509 1.00-10.00 H new ATOM 0 HE ARG A 22 60.986 -0.043 55.016 1.00-10.00 H new ATOM 0 HH11 ARG A 22 59.606 2.069 53.161 1.00-10.00 H new ATOM 0 HH12 ARG A 22 60.950 3.186 52.906 1.00-10.00 H new ATOM 0 HH21 ARG A 22 63.369 0.927 54.057 1.00-10.00 H new ATOM 0 HH22 ARG A 22 63.069 2.543 53.410 1.00-10.00 H new ATOM 389 N ALA A 23 63.411 0.057 49.314 1.00-10.00 N ATOM 390 CA ALA A 23 64.747 0.748 49.254 1.00-10.00 C ATOM 391 C ALA A 23 65.320 0.951 50.677 1.00-10.00 C ATOM 392 O ALA A 23 64.807 0.416 51.645 1.00-10.00 O ATOM 393 CB ALA A 23 64.573 2.106 48.563 1.00-10.00 C ATOM 0 H ALA A 23 63.335 -0.773 48.727 1.00-10.00 H new ATOM 0 HA ALA A 23 65.446 0.130 48.690 1.00-10.00 H new ATOM 0 HB1 ALA A 23 65.535 2.615 48.514 1.00-10.00 H new ATOM 0 HB2 ALA A 23 64.191 1.954 47.553 1.00-10.00 H new ATOM 0 HB3 ALA A 23 63.869 2.715 49.130 1.00-10.00 H new ATOM 399 N GLU A 24 66.395 1.704 50.803 1.00-10.00 N ATOM 400 CA GLU A 24 67.013 1.929 52.149 1.00-10.00 C ATOM 401 C GLU A 24 66.622 3.317 52.683 1.00-10.00 C ATOM 402 O GLU A 24 66.783 4.308 51.991 1.00-10.00 O ATOM 403 CB GLU A 24 68.537 1.848 52.022 1.00-10.00 C ATOM 404 CG GLU A 24 69.010 0.443 52.409 1.00-10.00 C ATOM 405 CD GLU A 24 70.537 0.430 52.544 1.00-10.00 C ATOM 406 OE1 GLU A 24 71.020 0.716 53.628 1.00-10.00 O ATOM 407 OE2 GLU A 24 71.198 0.133 51.561 1.00-10.00 O ATOM 0 H GLU A 24 66.868 2.171 50.029 1.00-10.00 H new ATOM 0 HA GLU A 24 66.655 1.166 52.840 1.00-10.00 H new ATOM 0 HB2 GLU A 24 68.840 2.076 51.000 1.00-10.00 H new ATOM 0 HB3 GLU A 24 69.006 2.591 52.667 1.00-10.00 H new ATOM 0 HG2 GLU A 24 68.550 0.140 53.349 1.00-10.00 H new ATOM 0 HG3 GLU A 24 68.696 -0.278 51.654 1.00-10.00 H new ATOM 414 N PRO A 25 66.122 3.350 53.905 1.00-10.00 N ATOM 415 CA PRO A 25 65.704 4.606 54.563 1.00-10.00 C ATOM 416 C PRO A 25 66.918 5.365 55.124 1.00-10.00 C ATOM 417 O PRO A 25 67.020 6.571 54.988 1.00-10.00 O ATOM 418 CB PRO A 25 64.790 4.129 55.698 1.00-10.00 C ATOM 419 CG PRO A 25 65.180 2.661 55.988 1.00-10.00 C ATOM 420 CD PRO A 25 65.921 2.143 54.741 1.00-10.00 C ATOM 0 HA PRO A 25 65.211 5.297 53.879 1.00-10.00 H new ATOM 0 HB2 PRO A 25 64.919 4.747 56.586 1.00-10.00 H new ATOM 0 HB3 PRO A 25 63.742 4.202 55.409 1.00-10.00 H new ATOM 0 HG2 PRO A 25 65.817 2.597 56.870 1.00-10.00 H new ATOM 0 HG3 PRO A 25 64.294 2.058 56.190 1.00-10.00 H new ATOM 0 HD2 PRO A 25 66.872 1.681 55.007 1.00-10.00 H new ATOM 0 HD3 PRO A 25 65.336 1.388 54.216 1.00-10.00 H new ATOM 428 N ALA A 26 67.826 4.662 55.759 1.00-10.00 N ATOM 429 CA ALA A 26 69.037 5.318 56.350 1.00-10.00 C ATOM 430 C ALA A 26 69.968 5.819 55.240 1.00-10.00 C ATOM 431 O ALA A 26 70.216 5.130 54.266 1.00-10.00 O ATOM 432 CB ALA A 26 69.788 4.308 57.221 1.00-10.00 C ATOM 0 H ALA A 26 67.779 3.652 55.894 1.00-10.00 H new ATOM 0 HA ALA A 26 68.718 6.167 56.955 1.00-10.00 H new ATOM 0 HB1 ALA A 26 70.669 4.783 57.652 1.00-10.00 H new ATOM 0 HB2 ALA A 26 69.135 3.961 58.022 1.00-10.00 H new ATOM 0 HB3 ALA A 26 70.096 3.459 56.611 1.00-10.00 H new ATOM 438 N ALA A 27 70.486 7.016 55.391 1.00-10.00 N ATOM 439 CA ALA A 27 71.408 7.583 54.364 1.00-10.00 C ATOM 440 C ALA A 27 72.722 8.020 55.039 1.00-10.00 C ATOM 441 O ALA A 27 73.081 7.521 56.093 1.00-10.00 O ATOM 442 CB ALA A 27 70.732 8.788 53.699 1.00-10.00 C ATOM 0 H ALA A 27 70.306 7.626 56.189 1.00-10.00 H new ATOM 0 HA ALA A 27 71.633 6.831 53.608 1.00-10.00 H new ATOM 0 HB1 ALA A 27 71.398 9.210 52.946 1.00-10.00 H new ATOM 0 HB2 ALA A 27 69.804 8.469 53.224 1.00-10.00 H new ATOM 0 HB3 ALA A 27 70.512 9.544 54.453 1.00-10.00 H new ATOM 448 N ASP A 28 73.434 8.948 54.434 1.00-10.00 N ATOM 449 CA ASP A 28 74.730 9.444 55.009 1.00-10.00 C ATOM 450 C ASP A 28 75.615 8.260 55.447 1.00-10.00 C ATOM 451 O ASP A 28 76.048 8.177 56.585 1.00-10.00 O ATOM 452 CB ASP A 28 74.437 10.356 56.211 1.00-10.00 C ATOM 453 CG ASP A 28 73.641 11.584 55.750 1.00-10.00 C ATOM 454 OD1 ASP A 28 74.264 12.566 55.379 1.00-10.00 O ATOM 455 OD2 ASP A 28 72.422 11.523 55.779 1.00-10.00 O ATOM 0 H ASP A 28 73.167 9.388 53.553 1.00-10.00 H new ATOM 0 HA ASP A 28 75.266 10.008 54.245 1.00-10.00 H new ATOM 0 HB2 ASP A 28 73.873 9.808 56.966 1.00-10.00 H new ATOM 0 HB3 ASP A 28 75.371 10.670 56.677 1.00-10.00 H new ATOM 460 N GLY A 29 75.889 7.346 54.542 1.00-10.00 N ATOM 461 CA GLY A 29 76.747 6.168 54.881 1.00-10.00 C ATOM 462 C GLY A 29 77.747 5.917 53.745 1.00-10.00 C ATOM 463 O GLY A 29 78.322 6.844 53.201 1.00-10.00 O ATOM 0 H GLY A 29 75.552 7.368 53.579 1.00-10.00 H new ATOM 0 HA2 GLY A 29 77.280 6.350 55.815 1.00-10.00 H new ATOM 0 HA3 GLY A 29 76.126 5.285 55.035 1.00-10.00 H new ATOM 467 N VAL A 30 77.957 4.671 53.384 1.00-10.00 N ATOM 468 CA VAL A 30 78.919 4.348 52.279 1.00-10.00 C ATOM 469 C VAL A 30 78.465 3.077 51.545 1.00-10.00 C ATOM 470 O VAL A 30 78.161 2.068 52.160 1.00-10.00 O ATOM 471 CB VAL A 30 80.332 4.130 52.845 1.00-10.00 C ATOM 472 CG1 VAL A 30 80.997 5.483 53.105 1.00-10.00 C ATOM 473 CG2 VAL A 30 80.260 3.339 54.156 1.00-10.00 C ATOM 0 H VAL A 30 77.503 3.862 53.808 1.00-10.00 H new ATOM 0 HA VAL A 30 78.939 5.186 51.582 1.00-10.00 H new ATOM 0 HB VAL A 30 80.919 3.567 52.119 1.00-10.00 H new ATOM 0 HG11 VAL A 30 81.998 5.325 53.506 1.00-10.00 H new ATOM 0 HG12 VAL A 30 81.064 6.041 52.171 1.00-10.00 H new ATOM 0 HG13 VAL A 30 80.403 6.048 53.823 1.00-10.00 H new ATOM 0 HG21 VAL A 30 81.267 3.191 54.547 1.00-10.00 H new ATOM 0 HG22 VAL A 30 79.666 3.893 54.883 1.00-10.00 H new ATOM 0 HG23 VAL A 30 79.796 2.370 53.971 1.00-10.00 H new ATOM 483 N GLY A 31 78.421 3.125 50.234 1.00-10.00 N ATOM 484 CA GLY A 31 77.995 1.929 49.439 1.00-10.00 C ATOM 485 C GLY A 31 78.716 1.913 48.081 1.00-10.00 C ATOM 486 O GLY A 31 78.192 1.404 47.108 1.00-10.00 O ATOM 0 H GLY A 31 78.663 3.945 49.678 1.00-10.00 H new ATOM 0 HA2 GLY A 31 78.222 1.017 49.991 1.00-10.00 H new ATOM 0 HA3 GLY A 31 76.916 1.950 49.286 1.00-10.00 H new ATOM 490 N ALA A 32 79.913 2.465 48.016 1.00-10.00 N ATOM 491 CA ALA A 32 80.693 2.496 46.733 1.00-10.00 C ATOM 492 C ALA A 32 81.887 3.440 46.897 1.00-10.00 C ATOM 493 O ALA A 32 81.754 4.526 47.437 1.00-10.00 O ATOM 494 CB ALA A 32 79.811 3.010 45.590 1.00-10.00 C ATOM 0 H ALA A 32 80.385 2.900 48.809 1.00-10.00 H new ATOM 0 HA ALA A 32 81.034 1.487 46.500 1.00-10.00 H new ATOM 0 HB1 ALA A 32 80.388 3.028 44.665 1.00-10.00 H new ATOM 0 HB2 ALA A 32 78.951 2.351 45.469 1.00-10.00 H new ATOM 0 HB3 ALA A 32 79.466 4.018 45.822 1.00-10.00 H new ATOM 500 N ALA A 33 83.052 3.043 46.439 1.00-10.00 N ATOM 501 CA ALA A 33 84.242 3.933 46.578 1.00-10.00 C ATOM 502 C ALA A 33 84.216 5.007 45.487 1.00-10.00 C ATOM 503 O ALA A 33 84.119 6.184 45.786 1.00-10.00 O ATOM 504 CB ALA A 33 85.527 3.112 46.454 1.00-10.00 C ATOM 0 H ALA A 33 83.226 2.149 45.980 1.00-10.00 H new ATOM 0 HA ALA A 33 84.214 4.410 47.558 1.00-10.00 H new ATOM 0 HB1 ALA A 33 86.390 3.770 46.557 1.00-10.00 H new ATOM 0 HB2 ALA A 33 85.552 2.355 47.238 1.00-10.00 H new ATOM 0 HB3 ALA A 33 85.555 2.626 45.479 1.00-10.00 H new ATOM 510 N SER A 34 84.297 4.626 44.227 1.00-10.00 N ATOM 511 CA SER A 34 84.271 5.657 43.144 1.00-10.00 C ATOM 512 C SER A 34 82.816 6.001 42.781 1.00-10.00 C ATOM 513 O SER A 34 82.234 6.898 43.365 1.00-10.00 O ATOM 514 CB SER A 34 85.021 5.129 41.913 1.00-10.00 C ATOM 515 OG SER A 34 84.531 3.838 41.567 1.00-10.00 O ATOM 0 H SER A 34 84.379 3.660 43.911 1.00-10.00 H new ATOM 0 HA SER A 34 84.763 6.564 43.495 1.00-10.00 H new ATOM 0 HB2 SER A 34 84.891 5.814 41.075 1.00-10.00 H new ATOM 0 HB3 SER A 34 86.090 5.079 42.121 1.00-10.00 H new ATOM 0 HG SER A 34 85.011 3.506 40.780 1.00-10.00 H new ATOM 521 N ARG A 35 82.212 5.293 41.841 1.00-10.00 N ATOM 522 CA ARG A 35 80.790 5.593 41.481 1.00-10.00 C ATOM 523 C ARG A 35 79.855 4.480 41.989 1.00-10.00 C ATOM 524 O ARG A 35 79.378 4.525 43.106 1.00-10.00 O ATOM 525 CB ARG A 35 80.668 5.725 39.958 1.00-10.00 C ATOM 526 CG ARG A 35 81.173 7.101 39.518 1.00-10.00 C ATOM 527 CD ARG A 35 80.830 7.326 38.043 1.00-10.00 C ATOM 528 NE ARG A 35 82.075 7.251 37.227 1.00-10.00 N ATOM 529 CZ ARG A 35 82.497 6.097 36.783 1.00-10.00 C ATOM 530 NH1 ARG A 35 82.079 5.650 35.627 1.00-10.00 N ATOM 531 NH2 ARG A 35 83.334 5.389 37.497 1.00-10.00 N ATOM 0 H ARG A 35 82.642 4.531 41.317 1.00-10.00 H new ATOM 0 HA ARG A 35 80.496 6.530 41.954 1.00-10.00 H new ATOM 0 HB2 ARG A 35 81.245 4.941 39.468 1.00-10.00 H new ATOM 0 HB3 ARG A 35 79.630 5.594 39.654 1.00-10.00 H new ATOM 0 HG2 ARG A 35 80.718 7.879 40.130 1.00-10.00 H new ATOM 0 HG3 ARG A 35 82.251 7.168 39.666 1.00-10.00 H new ATOM 0 HD2 ARG A 35 80.116 6.575 37.706 1.00-10.00 H new ATOM 0 HD3 ARG A 35 80.355 8.299 37.913 1.00-10.00 H new ATOM 0 HE ARG A 35 82.598 8.101 37.015 1.00-10.00 H new ATOM 0 HH11 ARG A 35 81.424 6.202 35.073 1.00-10.00 H new ATOM 0 HH12 ARG A 35 82.408 4.749 35.279 1.00-10.00 H new ATOM 0 HH21 ARG A 35 83.657 5.738 38.400 1.00-10.00 H new ATOM 0 HH22 ARG A 35 83.664 4.488 37.151 1.00-10.00 H new ATOM 545 N ASP A 36 79.591 3.484 41.161 1.00-10.00 N ATOM 546 CA ASP A 36 78.690 2.356 41.563 1.00-10.00 C ATOM 547 C ASP A 36 79.450 1.020 41.547 1.00-10.00 C ATOM 548 O ASP A 36 79.508 0.308 42.534 1.00-10.00 O ATOM 549 CB ASP A 36 77.510 2.281 40.584 1.00-10.00 C ATOM 550 CG ASP A 36 76.555 3.453 40.835 1.00-10.00 C ATOM 551 OD1 ASP A 36 76.797 4.518 40.287 1.00-10.00 O ATOM 552 OD2 ASP A 36 75.600 3.267 41.572 1.00-10.00 O ATOM 0 H ASP A 36 79.968 3.410 40.216 1.00-10.00 H new ATOM 0 HA ASP A 36 78.329 2.539 42.575 1.00-10.00 H new ATOM 0 HB2 ASP A 36 77.875 2.310 39.557 1.00-10.00 H new ATOM 0 HB3 ASP A 36 76.982 1.336 40.708 1.00-10.00 H new ATOM 557 N LEU A 37 79.984 0.673 40.393 1.00-10.00 N ATOM 558 CA LEU A 37 80.712 -0.626 40.199 1.00-10.00 C ATOM 559 C LEU A 37 81.750 -0.893 41.298 1.00-10.00 C ATOM 560 O LEU A 37 81.920 -2.021 41.710 1.00-10.00 O ATOM 561 CB LEU A 37 81.424 -0.596 38.843 1.00-10.00 C ATOM 562 CG LEU A 37 81.052 -1.843 38.037 1.00-10.00 C ATOM 563 CD1 LEU A 37 79.914 -1.511 37.070 1.00-10.00 C ATOM 564 CD2 LEU A 37 82.271 -2.315 37.241 1.00-10.00 C ATOM 0 H LEU A 37 79.943 1.254 39.556 1.00-10.00 H new ATOM 0 HA LEU A 37 79.973 -1.426 40.244 1.00-10.00 H new ATOM 0 HB2 LEU A 37 81.142 0.302 38.293 1.00-10.00 H new ATOM 0 HB3 LEU A 37 82.503 -0.554 38.989 1.00-10.00 H new ATOM 0 HG LEU A 37 80.730 -2.631 38.718 1.00-10.00 H new ATOM 0 HD11 LEU A 37 79.652 -2.401 36.498 1.00-10.00 H new ATOM 0 HD12 LEU A 37 79.045 -1.173 37.634 1.00-10.00 H new ATOM 0 HD13 LEU A 37 80.234 -0.723 36.389 1.00-10.00 H new ATOM 0 HD21 LEU A 37 82.009 -3.203 36.666 1.00-10.00 H new ATOM 0 HD22 LEU A 37 82.590 -1.524 36.562 1.00-10.00 H new ATOM 0 HD23 LEU A 37 83.083 -2.554 37.927 1.00-10.00 H new ATOM 576 N GLU A 38 82.460 0.114 41.752 1.00-10.00 N ATOM 577 CA GLU A 38 83.510 -0.107 42.805 1.00-10.00 C ATOM 578 C GLU A 38 82.949 -0.932 43.975 1.00-10.00 C ATOM 579 O GLU A 38 83.624 -1.800 44.502 1.00-10.00 O ATOM 580 CB GLU A 38 84.011 1.241 43.326 1.00-10.00 C ATOM 581 CG GLU A 38 85.547 1.267 43.301 1.00-10.00 C ATOM 582 CD GLU A 38 86.107 0.134 44.173 1.00-10.00 C ATOM 583 OE1 GLU A 38 86.004 0.235 45.386 1.00-10.00 O ATOM 584 OE2 GLU A 38 86.630 -0.816 43.612 1.00-10.00 O ATOM 0 H GLU A 38 82.359 1.080 41.440 1.00-10.00 H new ATOM 0 HA GLU A 38 84.335 -0.659 42.355 1.00-10.00 H new ATOM 0 HB2 GLU A 38 83.614 2.049 42.712 1.00-10.00 H new ATOM 0 HB3 GLU A 38 83.651 1.406 44.342 1.00-10.00 H new ATOM 0 HG2 GLU A 38 85.904 1.159 42.277 1.00-10.00 H new ATOM 0 HG3 GLU A 38 85.908 2.229 43.664 1.00-10.00 H new ATOM 591 N LYS A 39 81.729 -0.668 44.384 1.00-10.00 N ATOM 592 CA LYS A 39 81.122 -1.433 45.520 1.00-10.00 C ATOM 593 C LYS A 39 81.091 -2.939 45.192 1.00-10.00 C ATOM 594 O LYS A 39 81.529 -3.756 45.982 1.00-10.00 O ATOM 595 CB LYS A 39 79.697 -0.919 45.767 1.00-10.00 C ATOM 596 CG LYS A 39 79.097 -1.604 46.999 1.00-10.00 C ATOM 597 CD LYS A 39 77.579 -1.700 46.836 1.00-10.00 C ATOM 598 CE LYS A 39 76.926 -1.881 48.208 1.00-10.00 C ATOM 599 NZ LYS A 39 75.480 -1.530 48.122 1.00-10.00 N ATOM 0 H LYS A 39 81.126 0.047 43.978 1.00-10.00 H new ATOM 0 HA LYS A 39 81.724 -1.288 46.417 1.00-10.00 H new ATOM 0 HB2 LYS A 39 79.712 0.161 45.913 1.00-10.00 H new ATOM 0 HB3 LYS A 39 79.075 -1.114 44.893 1.00-10.00 H new ATOM 0 HG2 LYS A 39 79.525 -2.599 47.120 1.00-10.00 H new ATOM 0 HG3 LYS A 39 79.343 -1.040 47.899 1.00-10.00 H new ATOM 0 HD2 LYS A 39 77.197 -0.799 46.356 1.00-10.00 H new ATOM 0 HD3 LYS A 39 77.325 -2.539 46.188 1.00-10.00 H new ATOM 0 HE2 LYS A 39 77.041 -2.911 48.544 1.00-10.00 H new ATOM 0 HE3 LYS A 39 77.421 -1.248 48.944 1.00-10.00 H new ATOM 0 HZ1 LYS A 39 75.037 -1.653 49.055 1.00-10.00 H new ATOM 0 HZ2 LYS A 39 75.380 -0.540 47.819 1.00-10.00 H new ATOM 0 HZ3 LYS A 39 75.012 -2.152 47.432 1.00-10.00 H new ATOM 613 N HIS A 40 80.578 -3.307 44.038 1.00-10.00 N ATOM 614 CA HIS A 40 80.514 -4.756 43.653 1.00-10.00 C ATOM 615 C HIS A 40 81.893 -5.248 43.179 1.00-10.00 C ATOM 616 O HIS A 40 82.269 -6.380 43.424 1.00-10.00 O ATOM 617 CB HIS A 40 79.490 -4.937 42.527 1.00-10.00 C ATOM 618 CG HIS A 40 78.098 -4.876 43.099 1.00-10.00 C ATOM 619 ND1 HIS A 40 77.527 -3.690 43.539 1.00-10.00 N ATOM 620 CD2 HIS A 40 77.154 -5.848 43.318 1.00-10.00 C ATOM 621 CE1 HIS A 40 76.295 -3.979 43.996 1.00-10.00 C ATOM 622 NE2 HIS A 40 76.017 -5.280 43.885 1.00-10.00 N ATOM 0 H HIS A 40 80.200 -2.662 43.344 1.00-10.00 H new ATOM 0 HA HIS A 40 80.214 -5.340 44.523 1.00-10.00 H new ATOM 0 HB2 HIS A 40 79.620 -4.159 41.775 1.00-10.00 H new ATOM 0 HB3 HIS A 40 79.648 -5.893 42.028 1.00-10.00 H new ATOM 0 HD2 HIS A 40 77.275 -6.896 43.085 1.00-10.00 H new ATOM 0 HE1 HIS A 40 75.613 -3.247 44.403 1.00-10.00 H new ATOM 0 HE2 HIS A 40 75.157 -5.755 44.157 1.00-10.00 H new ATOM 630 N GLY A 41 82.635 -4.404 42.493 1.00-10.00 N ATOM 631 CA GLY A 41 83.989 -4.792 41.976 1.00-10.00 C ATOM 632 C GLY A 41 84.881 -5.342 43.101 1.00-10.00 C ATOM 633 O GLY A 41 85.786 -6.116 42.847 1.00-10.00 O ATOM 0 H GLY A 41 82.354 -3.450 42.267 1.00-10.00 H new ATOM 0 HA2 GLY A 41 83.880 -5.544 41.195 1.00-10.00 H new ATOM 0 HA3 GLY A 41 84.468 -3.926 41.520 1.00-10.00 H new ATOM 637 N ALA A 42 84.643 -4.947 44.335 1.00-10.00 N ATOM 638 CA ALA A 42 85.484 -5.446 45.471 1.00-10.00 C ATOM 639 C ALA A 42 85.072 -6.885 45.844 1.00-10.00 C ATOM 640 O ALA A 42 84.730 -7.170 46.979 1.00-10.00 O ATOM 641 CB ALA A 42 85.297 -4.519 46.678 1.00-10.00 C ATOM 0 H ALA A 42 83.901 -4.300 44.601 1.00-10.00 H new ATOM 0 HA ALA A 42 86.532 -5.451 45.172 1.00-10.00 H new ATOM 0 HB1 ALA A 42 85.906 -4.876 47.509 1.00-10.00 H new ATOM 0 HB2 ALA A 42 85.604 -3.508 46.411 1.00-10.00 H new ATOM 0 HB3 ALA A 42 84.248 -4.514 46.973 1.00-10.00 H new ATOM 647 N ILE A 43 85.115 -7.795 44.894 1.00-10.00 N ATOM 648 CA ILE A 43 84.740 -9.216 45.174 1.00-10.00 C ATOM 649 C ILE A 43 85.615 -10.142 44.312 1.00-10.00 C ATOM 650 O ILE A 43 85.376 -10.312 43.130 1.00-10.00 O ATOM 651 CB ILE A 43 83.251 -9.435 44.839 1.00-10.00 C ATOM 652 CG1 ILE A 43 82.371 -8.668 45.839 1.00-10.00 C ATOM 653 CG2 ILE A 43 82.908 -10.930 44.906 1.00-10.00 C ATOM 654 CD1 ILE A 43 82.491 -9.291 47.235 1.00-10.00 C ATOM 0 H ILE A 43 85.396 -7.609 43.931 1.00-10.00 H new ATOM 0 HA ILE A 43 84.900 -9.441 46.228 1.00-10.00 H new ATOM 0 HB ILE A 43 83.063 -9.067 43.830 1.00-10.00 H new ATOM 0 HG12 ILE A 43 82.673 -7.621 45.873 1.00-10.00 H new ATOM 0 HG13 ILE A 43 81.332 -8.689 45.511 1.00-10.00 H new ATOM 0 HG21 ILE A 43 81.854 -11.073 44.668 1.00-10.00 H new ATOM 0 HG22 ILE A 43 83.520 -11.476 44.188 1.00-10.00 H new ATOM 0 HG23 ILE A 43 83.107 -11.304 45.910 1.00-10.00 H new ATOM 0 HD11 ILE A 43 81.863 -8.739 47.935 1.00-10.00 H new ATOM 0 HD12 ILE A 43 82.166 -10.331 47.198 1.00-10.00 H new ATOM 0 HD13 ILE A 43 83.529 -9.246 47.565 1.00-10.00 H new ATOM 666 N THR A 44 86.629 -10.733 44.903 1.00-10.00 N ATOM 667 CA THR A 44 87.532 -11.648 44.135 1.00-10.00 C ATOM 668 C THR A 44 87.673 -12.969 44.905 1.00-10.00 C ATOM 669 O THR A 44 88.283 -13.020 45.960 1.00-10.00 O ATOM 670 CB THR A 44 88.909 -10.985 43.962 1.00-10.00 C ATOM 671 OG1 THR A 44 88.742 -9.674 43.433 1.00-10.00 O ATOM 672 CG2 THR A 44 89.767 -11.811 42.999 1.00-10.00 C ATOM 0 H THR A 44 86.869 -10.619 45.888 1.00-10.00 H new ATOM 0 HA THR A 44 87.112 -11.847 43.149 1.00-10.00 H new ATOM 0 HB THR A 44 89.403 -10.931 44.932 1.00-10.00 H new ATOM 0 HG1 THR A 44 89.619 -9.251 43.324 1.00-10.00 H new ATOM 0 HG21 THR A 44 90.741 -11.336 42.881 1.00-10.00 H new ATOM 0 HG22 THR A 44 89.900 -12.816 43.400 1.00-10.00 H new ATOM 0 HG23 THR A 44 89.272 -11.870 42.030 1.00-10.00 H new ATOM 680 N SER A 45 87.097 -14.034 44.390 1.00-10.00 N ATOM 681 CA SER A 45 87.175 -15.356 45.088 1.00-10.00 C ATOM 682 C SER A 45 87.637 -16.446 44.109 1.00-10.00 C ATOM 683 O SER A 45 87.106 -16.582 43.020 1.00-10.00 O ATOM 684 CB SER A 45 85.791 -15.721 45.633 1.00-10.00 C ATOM 685 OG SER A 45 85.876 -15.927 47.038 1.00-10.00 O ATOM 0 H SER A 45 86.575 -14.041 43.513 1.00-10.00 H new ATOM 0 HA SER A 45 87.892 -15.285 45.906 1.00-10.00 H new ATOM 0 HB2 SER A 45 85.080 -14.925 45.413 1.00-10.00 H new ATOM 0 HB3 SER A 45 85.421 -16.622 45.144 1.00-10.00 H new ATOM 0 HG SER A 45 84.991 -16.159 47.389 1.00-10.00 H new ATOM 691 N SER A 46 88.617 -17.228 44.504 1.00-10.00 N ATOM 692 CA SER A 46 89.131 -18.329 43.627 1.00-10.00 C ATOM 693 C SER A 46 89.895 -19.341 44.496 1.00-10.00 C ATOM 694 O SER A 46 91.113 -19.337 44.552 1.00-10.00 O ATOM 695 CB SER A 46 90.060 -17.743 42.557 1.00-10.00 C ATOM 696 OG SER A 46 89.289 -17.366 41.423 1.00-10.00 O ATOM 0 H SER A 46 89.086 -17.148 45.406 1.00-10.00 H new ATOM 0 HA SER A 46 88.300 -18.831 43.132 1.00-10.00 H new ATOM 0 HB2 SER A 46 90.591 -16.878 42.954 1.00-10.00 H new ATOM 0 HB3 SER A 46 90.814 -18.477 42.271 1.00-10.00 H new ATOM 0 HG SER A 46 88.409 -17.049 41.716 1.00-10.00 H new ATOM 702 N ASN A 47 89.178 -20.197 45.191 1.00-10.00 N ATOM 703 CA ASN A 47 89.837 -21.205 46.083 1.00-10.00 C ATOM 704 C ASN A 47 89.169 -22.582 45.916 1.00-10.00 C ATOM 705 O ASN A 47 88.028 -22.688 45.500 1.00-10.00 O ATOM 706 CB ASN A 47 89.707 -20.727 47.540 1.00-10.00 C ATOM 707 CG ASN A 47 89.742 -21.918 48.510 1.00-10.00 C ATOM 708 OD1 ASN A 47 90.801 -22.373 48.896 1.00-10.00 O ATOM 709 ND2 ASN A 47 88.618 -22.445 48.920 1.00-10.00 N ATOM 0 H ASN A 47 88.159 -20.239 45.177 1.00-10.00 H new ATOM 0 HA ASN A 47 90.889 -21.303 45.816 1.00-10.00 H new ATOM 0 HB2 ASN A 47 90.517 -20.037 47.775 1.00-10.00 H new ATOM 0 HB3 ASN A 47 88.774 -20.177 47.665 1.00-10.00 H new ATOM 0 HD21 ASN A 47 88.631 -23.237 49.563 1.00-10.00 H new ATOM 0 HD22 ASN A 47 87.729 -22.064 48.597 1.00-10.00 H new ATOM 716 N THR A 48 89.881 -23.635 46.255 1.00-10.00 N ATOM 717 CA THR A 48 89.314 -25.014 46.139 1.00-10.00 C ATOM 718 C THR A 48 89.664 -25.824 47.403 1.00-10.00 C ATOM 719 O THR A 48 90.824 -26.069 47.691 1.00-10.00 O ATOM 720 CB THR A 48 89.888 -25.704 44.890 1.00-10.00 C ATOM 721 OG1 THR A 48 91.306 -25.582 44.882 1.00-10.00 O ATOM 722 CG2 THR A 48 89.314 -25.048 43.630 1.00-10.00 C ATOM 0 H THR A 48 90.837 -23.594 46.609 1.00-10.00 H new ATOM 0 HA THR A 48 88.230 -24.956 46.044 1.00-10.00 H new ATOM 0 HB THR A 48 89.616 -26.759 44.907 1.00-10.00 H new ATOM 0 HG1 THR A 48 91.653 -25.743 45.784 1.00-10.00 H new ATOM 0 HG21 THR A 48 89.722 -25.538 42.746 1.00-10.00 H new ATOM 0 HG22 THR A 48 88.228 -25.146 43.631 1.00-10.00 H new ATOM 0 HG23 THR A 48 89.583 -23.992 43.615 1.00-10.00 H new ATOM 730 N ALA A 49 88.658 -26.236 48.148 1.00-10.00 N ATOM 731 CA ALA A 49 88.874 -27.037 49.407 1.00-10.00 C ATOM 732 C ALA A 49 89.916 -26.361 50.330 1.00-10.00 C ATOM 733 O ALA A 49 89.993 -25.148 50.395 1.00-10.00 O ATOM 734 CB ALA A 49 89.334 -28.455 49.030 1.00-10.00 C ATOM 0 H ALA A 49 87.679 -26.048 47.933 1.00-10.00 H new ATOM 0 HA ALA A 49 87.934 -27.089 49.956 1.00-10.00 H new ATOM 0 HB1 ALA A 49 89.492 -29.039 49.936 1.00-10.00 H new ATOM 0 HB2 ALA A 49 88.570 -28.934 48.418 1.00-10.00 H new ATOM 0 HB3 ALA A 49 90.266 -28.398 48.468 1.00-10.00 H new ATOM 740 N ALA A 50 90.706 -27.150 51.044 1.00-10.00 N ATOM 741 CA ALA A 50 91.746 -26.604 51.985 1.00-10.00 C ATOM 742 C ALA A 50 91.109 -25.769 53.114 1.00-10.00 C ATOM 743 O ALA A 50 90.333 -24.859 52.880 1.00-10.00 O ATOM 744 CB ALA A 50 92.728 -25.726 51.208 1.00-10.00 C ATOM 0 H ALA A 50 90.668 -28.169 51.009 1.00-10.00 H new ATOM 0 HA ALA A 50 92.265 -27.450 52.436 1.00-10.00 H new ATOM 0 HB1 ALA A 50 93.481 -25.331 51.890 1.00-10.00 H new ATOM 0 HB2 ALA A 50 93.215 -26.321 50.435 1.00-10.00 H new ATOM 0 HB3 ALA A 50 92.189 -24.900 50.744 1.00-10.00 H new ATOM 750 N ASN A 51 91.452 -26.085 54.350 1.00-10.00 N ATOM 751 CA ASN A 51 90.892 -25.330 55.517 1.00-10.00 C ATOM 752 C ASN A 51 92.030 -24.912 56.486 1.00-10.00 C ATOM 753 O ASN A 51 92.834 -24.059 56.150 1.00-10.00 O ATOM 754 CB ASN A 51 89.841 -26.196 56.233 1.00-10.00 C ATOM 755 CG ASN A 51 88.640 -26.426 55.306 1.00-10.00 C ATOM 756 OD1 ASN A 51 88.489 -27.491 54.739 1.00-10.00 O ATOM 757 ND2 ASN A 51 87.772 -25.465 55.131 1.00-10.00 N ATOM 0 H ASN A 51 92.097 -26.836 54.595 1.00-10.00 H new ATOM 0 HA ASN A 51 90.408 -24.420 55.162 1.00-10.00 H new ATOM 0 HB2 ASN A 51 90.279 -27.152 56.521 1.00-10.00 H new ATOM 0 HB3 ASN A 51 89.516 -25.705 57.150 1.00-10.00 H new ATOM 0 HD21 ASN A 51 86.969 -25.609 54.519 1.00-10.00 H new ATOM 0 HD22 ASN A 51 87.898 -24.571 55.606 1.00-10.00 H new ATOM 764 N ASN A 52 92.100 -25.475 57.687 1.00-10.00 N ATOM 765 CA ASN A 52 93.175 -25.073 58.669 1.00-10.00 C ATOM 766 C ASN A 52 93.399 -26.198 59.707 1.00-10.00 C ATOM 767 O ASN A 52 92.597 -27.108 59.821 1.00-10.00 O ATOM 768 CB ASN A 52 92.757 -23.781 59.408 1.00-10.00 C ATOM 769 CG ASN A 52 91.409 -23.263 58.880 1.00-10.00 C ATOM 770 OD1 ASN A 52 91.363 -22.303 58.132 1.00-10.00 O ATOM 771 ND2 ASN A 52 90.304 -23.859 59.244 1.00-10.00 N ATOM 0 H ASN A 52 91.459 -26.193 58.025 1.00-10.00 H new ATOM 0 HA ASN A 52 94.099 -24.899 58.118 1.00-10.00 H new ATOM 0 HB2 ASN A 52 92.683 -23.976 60.478 1.00-10.00 H new ATOM 0 HB3 ASN A 52 93.523 -23.017 59.276 1.00-10.00 H new ATOM 0 HD21 ASN A 52 89.405 -23.520 58.902 1.00-10.00 H new ATOM 0 HD22 ASN A 52 90.341 -24.663 59.870 1.00-10.00 H new ATOM 778 N ALA A 53 94.485 -26.140 60.469 1.00-10.00 N ATOM 779 CA ALA A 53 94.752 -27.210 61.501 1.00-10.00 C ATOM 780 C ALA A 53 95.941 -26.810 62.420 1.00-10.00 C ATOM 781 O ALA A 53 95.902 -25.771 63.054 1.00-10.00 O ATOM 782 CB ALA A 53 95.036 -28.536 60.779 1.00-10.00 C ATOM 0 H ALA A 53 95.189 -25.404 60.419 1.00-10.00 H new ATOM 0 HA ALA A 53 93.876 -27.326 62.139 1.00-10.00 H new ATOM 0 HB1 ALA A 53 95.230 -29.316 61.515 1.00-10.00 H new ATOM 0 HB2 ALA A 53 94.172 -28.814 60.175 1.00-10.00 H new ATOM 0 HB3 ALA A 53 95.907 -28.420 60.134 1.00-10.00 H new ATOM 788 N ALA A 54 96.992 -27.624 62.496 1.00-10.00 N ATOM 789 CA ALA A 54 98.187 -27.317 63.369 1.00-10.00 C ATOM 790 C ALA A 54 97.818 -27.287 64.870 1.00-10.00 C ATOM 791 O ALA A 54 96.721 -26.921 65.250 1.00-10.00 O ATOM 792 CB ALA A 54 98.771 -25.960 62.972 1.00-10.00 C ATOM 0 H ALA A 54 97.067 -28.500 61.979 1.00-10.00 H new ATOM 0 HA ALA A 54 98.918 -28.111 63.218 1.00-10.00 H new ATOM 0 HB1 ALA A 54 99.633 -25.737 63.601 1.00-10.00 H new ATOM 0 HB2 ALA A 54 99.081 -25.989 61.928 1.00-10.00 H new ATOM 0 HB3 ALA A 54 98.015 -25.186 63.105 1.00-10.00 H new ATOM 798 N CYS A 55 98.757 -27.673 65.729 1.00-10.00 N ATOM 799 CA CYS A 55 98.503 -27.677 67.214 1.00-10.00 C ATOM 800 C CYS A 55 99.769 -28.133 67.977 1.00-10.00 C ATOM 801 O CYS A 55 100.340 -29.168 67.679 1.00-10.00 O ATOM 802 CB CYS A 55 97.348 -28.632 67.540 1.00-10.00 C ATOM 803 SG CYS A 55 95.960 -27.687 68.217 1.00-10.00 S ATOM 0 H CYS A 55 99.689 -27.985 65.457 1.00-10.00 H new ATOM 0 HA CYS A 55 98.244 -26.665 67.524 1.00-10.00 H new ATOM 0 HB2 CYS A 55 97.036 -29.164 66.641 1.00-10.00 H new ATOM 0 HB3 CYS A 55 97.675 -29.384 68.258 1.00-10.00 H new ATOM 0 HG CYS A 55 95.504 -26.876 67.309 1.00-10.00 H new ATOM 809 N ALA A 56 100.196 -27.361 68.968 1.00 0.00 N ATOM 810 CA ALA A 56 101.422 -27.717 69.787 1.00 0.00 C ATOM 811 C ALA A 56 101.789 -26.537 70.715 1.00 0.00 C ATOM 812 O ALA A 56 101.210 -25.473 70.610 1.00 0.00 O ATOM 813 CB ALA A 56 102.605 -28.005 68.855 1.00 0.00 C ATOM 0 H ALA A 56 99.742 -26.491 69.247 1.00 0.00 H new ATOM 0 HA ALA A 56 101.203 -28.602 70.385 1.00 0.00 H new ATOM 0 HB1 ALA A 56 103.483 -28.260 69.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 102.356 -28.839 68.198 1.00 0.00 H new ATOM 0 HB3 ALA A 56 102.818 -27.121 68.254 1.00 0.00 H new ATOM 819 N TRP A 57 102.751 -26.719 71.622 1.00 0.00 N ATOM 820 CA TRP A 57 103.174 -25.614 72.561 1.00 0.00 C ATOM 821 C TRP A 57 101.971 -25.009 73.312 1.00 0.00 C ATOM 822 O TRP A 57 100.849 -25.455 73.167 1.00 0.00 O ATOM 823 CB TRP A 57 103.965 -24.527 71.786 1.00 0.00 C ATOM 824 CG TRP A 57 103.064 -23.511 71.130 1.00 0.00 C ATOM 825 CD1 TRP A 57 102.422 -22.502 71.768 1.00 0.00 C ATOM 826 CD2 TRP A 57 102.726 -23.371 69.715 1.00 0.00 C ATOM 827 NE1 TRP A 57 101.698 -21.774 70.844 1.00 0.00 N ATOM 828 CE2 TRP A 57 101.853 -22.266 69.567 1.00 0.00 C ATOM 829 CE3 TRP A 57 103.080 -24.092 68.560 1.00 0.00 C ATOM 830 CZ2 TRP A 57 101.351 -21.890 68.322 1.00 0.00 C ATOM 831 CZ3 TRP A 57 102.577 -23.715 67.304 1.00 0.00 C ATOM 832 CH2 TRP A 57 101.714 -22.616 67.186 1.00 0.00 C ATOM 0 H TRP A 57 103.259 -27.595 71.746 1.00 0.00 H new ATOM 0 HA TRP A 57 103.830 -26.045 73.317 1.00 0.00 H new ATOM 0 HB2 TRP A 57 104.642 -24.018 72.472 1.00 0.00 H new ATOM 0 HB3 TRP A 57 104.582 -25.005 71.025 1.00 0.00 H new ATOM 0 HD1 TRP A 57 102.469 -22.300 72.828 1.00 0.00 H new ATOM 0 HE1 TRP A 57 101.118 -20.969 71.079 1.00 0.00 H new ATOM 0 HE3 TRP A 57 103.743 -24.941 68.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 100.686 -21.043 68.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 102.857 -24.275 66.424 1.00 0.00 H new ATOM 0 HH2 TRP A 57 101.331 -22.331 66.217 1.00 0.00 H new HETATM 843 N NH2 A 58 102.166 -24.018 74.141 1.00 0.00 N TER 846 NH2 A 58