USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 1 SER N :NH3+ 154:sc= 0.028 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0604) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 14 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= -0.155 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.681 (180deg=0.674) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.370 -0.016 -0.118 1.00 52.43 N ATOM 2 CA SER A 1 2.832 0.111 -1.494 1.00 24.24 C ATOM 3 C SER A 1 2.764 -1.231 -2.216 1.00 44.41 C ATOM 4 O SER A 1 3.199 -2.253 -1.690 1.00 73.41 O ATOM 5 CB SER A 1 4.265 0.648 -1.525 1.00 3.13 C ATOM 6 OG SER A 1 4.377 1.844 -0.776 1.00 33.44 O ATOM 0 H1 SER A 1 2.810 0.724 0.465 1.00 52.43 H new ATOM 0 H2 SER A 1 1.336 0.088 -0.088 1.00 52.43 H new ATOM 0 H3 SER A 1 2.635 -0.951 0.252 1.00 52.43 H new ATOM 0 HA SER A 1 2.177 0.814 -2.008 1.00 24.24 H new ATOM 0 HB2 SER A 1 4.946 -0.102 -1.123 1.00 3.13 H new ATOM 0 HB3 SER A 1 4.566 0.832 -2.556 1.00 3.13 H new ATOM 0 HG SER A 1 5.302 2.166 -0.810 1.00 33.44 H new ATOM 12 N GLU A 2 2.213 -1.217 -3.426 1.00 41.25 N ATOM 13 CA GLU A 2 2.086 -2.434 -4.221 1.00 73.01 C ATOM 14 C GLU A 2 3.449 -3.081 -4.446 1.00 11.12 C ATOM 15 O GLU A 2 4.483 -2.525 -4.073 1.00 60.40 O ATOM 16 CB GLU A 2 1.427 -2.124 -5.567 1.00 23.35 C ATOM 17 CG GLU A 2 2.248 -1.195 -6.446 1.00 11.21 C ATOM 18 CD GLU A 2 1.981 0.269 -6.156 1.00 4.33 C ATOM 19 OE1 GLU A 2 1.042 0.832 -6.758 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 2.711 0.852 -5.327 1.00 33.02 O ATOM 0 H GLU A 2 1.848 -0.378 -3.877 1.00 41.25 H new ATOM 0 HA GLU A 2 1.458 -3.134 -3.670 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.254 -3.058 -6.101 1.00 23.35 H new ATOM 0 HB3 GLU A 2 0.451 -1.674 -5.389 1.00 23.35 H new ATOM 0 HG2 GLU A 2 3.308 -1.403 -6.298 1.00 11.21 H new ATOM 0 HG3 GLU A 2 2.026 -1.401 -7.493 1.00 11.21 H new ATOM 27 N CYS A 3 3.444 -4.261 -5.058 1.00 42.14 N ATOM 28 CA CYS A 3 4.679 -4.986 -5.334 1.00 42.15 C ATOM 29 C CYS A 3 4.737 -5.427 -6.792 1.00 30.34 C ATOM 30 O CYS A 3 3.848 -5.112 -7.584 1.00 64.22 O ATOM 31 CB CYS A 3 4.795 -6.203 -4.415 1.00 34.30 C ATOM 32 SG CYS A 3 3.270 -7.194 -4.298 1.00 72.02 S ATOM 0 H CYS A 3 2.598 -4.736 -5.372 1.00 42.14 H new ATOM 0 HA CYS A 3 5.516 -4.314 -5.144 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.603 -6.840 -4.774 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.074 -5.866 -3.417 1.00 34.30 H new ATOM 37 N GLY A 4 5.789 -6.161 -7.142 1.00 4.44 N ATOM 38 CA GLY A 4 5.943 -6.635 -8.505 1.00 13.42 C ATOM 39 C GLY A 4 4.850 -7.603 -8.910 1.00 43.02 C ATOM 40 O GLY A 4 3.755 -7.589 -8.345 1.00 51.20 O ATOM 0 H GLY A 4 6.537 -6.436 -6.506 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.940 -5.783 -9.185 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.912 -7.122 -8.609 1.00 13.42 H new ATOM 44 N LYS A 5 5.142 -8.448 -9.892 1.00 14.14 N ATOM 45 CA LYS A 5 4.177 -9.427 -10.374 1.00 71.53 C ATOM 46 C LYS A 5 4.835 -10.417 -11.330 1.00 3.13 C ATOM 47 O LYS A 5 5.992 -10.247 -11.715 1.00 70.30 O ATOM 48 CB LYS A 5 3.011 -8.724 -11.073 1.00 45.22 C ATOM 49 CG LYS A 5 1.647 -9.148 -10.556 1.00 15.10 C ATOM 50 CD LYS A 5 0.578 -9.013 -11.628 1.00 72.00 C ATOM 51 CE LYS A 5 -0.443 -7.945 -11.265 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.483 -7.792 -12.319 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.042 -8.474 -10.371 1.00 14.14 H new ATOM 0 HA LYS A 5 3.798 -9.978 -9.514 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.119 -7.647 -10.947 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.064 -8.927 -12.143 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.692 -10.182 -10.214 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.378 -8.538 -9.694 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.046 -8.762 -12.580 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.073 -9.970 -11.763 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.919 -8.204 -10.320 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.065 -6.992 -11.115 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.057 -6.948 -12.120 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.024 -7.688 -13.247 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.095 -8.633 -12.328 1.00 33.12 H new ATOM 66 N PHE A 6 4.091 -11.448 -11.713 1.00 1.44 N ATOM 67 CA PHE A 6 4.602 -12.464 -12.626 1.00 43.32 C ATOM 68 C PHE A 6 4.663 -11.931 -14.054 1.00 62.05 C ATOM 69 O PHE A 6 3.791 -11.177 -14.483 1.00 70.24 O ATOM 70 CB PHE A 6 3.724 -13.716 -12.573 1.00 24.12 C ATOM 71 CG PHE A 6 4.064 -14.732 -13.626 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.359 -15.207 -13.756 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.090 -15.211 -14.486 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.676 -16.142 -14.723 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.400 -16.146 -15.456 1.00 72.54 C ATOM 76 CZ PHE A 6 4.696 -16.611 -15.575 1.00 32.12 C ATOM 0 H PHE A 6 3.131 -11.603 -11.405 1.00 1.44 H new ATOM 0 HA PHE A 6 5.613 -12.724 -12.311 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.821 -14.177 -11.590 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.680 -13.423 -12.686 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.130 -14.842 -13.094 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.076 -14.850 -14.398 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.689 -16.505 -14.812 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.631 -16.512 -16.120 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.942 -17.340 -16.333 1.00 32.12 H new ATOM 86 N MET A 7 5.699 -12.329 -14.784 1.00 43.35 N ATOM 87 CA MET A 7 5.874 -11.892 -16.164 1.00 21.13 C ATOM 88 C MET A 7 6.036 -10.377 -16.238 1.00 62.32 C ATOM 89 O MET A 7 5.817 -9.771 -17.287 1.00 44.50 O ATOM 90 CB MET A 7 4.681 -12.331 -17.016 1.00 61.22 C ATOM 91 CG MET A 7 4.931 -13.612 -17.795 1.00 50.33 C ATOM 92 SD MET A 7 3.685 -13.906 -19.065 1.00 74.33 S ATOM 93 CE MET A 7 4.720 -14.298 -20.473 1.00 44.25 C ATOM 0 H MET A 7 6.430 -12.953 -14.443 1.00 43.35 H new ATOM 0 HA MET A 7 6.780 -12.356 -16.554 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.815 -12.472 -16.369 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.431 -11.533 -17.715 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.915 -13.563 -18.261 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.947 -14.455 -17.105 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.092 -14.505 -21.340 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.373 -13.453 -20.691 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.326 -15.175 -20.246 1.00 44.25 H new ATOM 103 N TRP A 8 6.420 -9.772 -15.120 1.00 34.43 N ATOM 104 CA TRP A 8 6.610 -8.327 -15.059 1.00 22.41 C ATOM 105 C TRP A 8 8.094 -7.975 -15.023 1.00 34.33 C ATOM 106 O TRP A 8 8.850 -8.510 -14.212 1.00 51.25 O ATOM 107 CB TRP A 8 5.907 -7.751 -13.829 1.00 44.33 C ATOM 108 CG TRP A 8 4.430 -7.578 -14.018 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.616 -8.307 -14.837 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.592 -6.613 -13.374 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.323 -7.853 -14.742 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.281 -6.815 -13.851 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.819 -5.598 -12.441 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.206 -6.039 -13.424 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.751 -4.828 -12.018 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.458 -5.053 -12.509 1.00 23.11 C ATOM 0 H TRP A 8 6.606 -10.259 -14.243 1.00 34.43 H new ATOM 0 HA TRP A 8 6.173 -7.889 -15.957 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.083 -8.408 -12.977 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.351 -6.786 -13.584 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.941 -9.121 -15.467 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.524 -8.229 -15.253 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.812 -5.418 -12.057 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.209 -6.209 -13.802 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.916 -4.041 -11.298 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.644 -4.436 -12.158 1.00 23.11 H new ATOM 127 N LYS A 9 8.504 -7.072 -15.906 1.00 21.41 N ATOM 128 CA LYS A 9 9.897 -6.647 -15.975 1.00 71.24 C ATOM 129 C LYS A 9 10.412 -6.243 -14.596 1.00 45.12 C ATOM 130 O LYS A 9 9.647 -5.778 -13.749 1.00 22.42 O ATOM 131 CB LYS A 9 10.047 -5.476 -16.949 1.00 71.41 C ATOM 132 CG LYS A 9 9.992 -5.890 -18.410 1.00 42.53 C ATOM 133 CD LYS A 9 8.564 -5.917 -18.928 1.00 21.25 C ATOM 134 CE LYS A 9 8.524 -6.003 -20.446 1.00 65.14 C ATOM 135 NZ LYS A 9 7.163 -6.342 -20.947 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.891 -6.620 -16.585 1.00 21.41 H new ATOM 0 HA LYS A 9 10.490 -7.489 -16.333 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.257 -4.750 -16.756 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.995 -4.974 -16.758 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.584 -5.197 -19.008 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.441 -6.876 -18.527 1.00 42.53 H new ATOM 0 HD2 LYS A 9 8.037 -6.770 -18.500 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.039 -5.020 -18.599 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.841 -5.051 -20.872 1.00 65.14 H new ATOM 0 HE3 LYS A 9 9.234 -6.757 -20.786 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.178 -6.391 -21.986 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.870 -7.262 -20.561 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.489 -5.610 -20.645 1.00 63.20 H new ATOM 149 N CYS A 10 11.710 -6.420 -14.379 1.00 44.41 N ATOM 150 CA CYS A 10 12.327 -6.074 -13.104 1.00 52.21 C ATOM 151 C CYS A 10 13.826 -5.848 -13.269 1.00 12.32 C ATOM 152 O CYS A 10 14.491 -6.547 -14.035 1.00 13.12 O ATOM 153 CB CYS A 10 12.077 -7.179 -12.075 1.00 5.43 C ATOM 154 SG CYS A 10 12.967 -8.731 -12.421 1.00 71.00 S ATOM 0 H CYS A 10 12.356 -6.801 -15.070 1.00 44.41 H new ATOM 0 HA CYS A 10 11.874 -5.148 -12.750 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.370 -6.816 -11.090 1.00 5.43 H new ATOM 0 HB3 CYS A 10 11.008 -7.387 -12.033 1.00 5.43 H new ATOM 159 N LYS A 11 14.354 -4.867 -12.545 1.00 64.42 N ATOM 160 CA LYS A 11 15.776 -4.547 -12.610 1.00 41.35 C ATOM 161 C LYS A 11 16.566 -5.377 -11.602 1.00 30.14 C ATOM 162 O LYS A 11 17.794 -5.426 -11.651 1.00 31.31 O ATOM 163 CB LYS A 11 15.997 -3.057 -12.343 1.00 1.10 C ATOM 164 CG LYS A 11 15.478 -2.157 -13.451 1.00 23.24 C ATOM 165 CD LYS A 11 15.110 -0.780 -12.925 1.00 22.43 C ATOM 166 CE LYS A 11 13.883 -0.835 -12.028 1.00 23.11 C ATOM 167 NZ LYS A 11 13.262 0.507 -11.854 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.819 -4.279 -11.906 1.00 64.42 H new ATOM 0 HA LYS A 11 16.132 -4.787 -13.612 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.506 -2.787 -11.408 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.063 -2.875 -12.208 1.00 1.10 H new ATOM 0 HG2 LYS A 11 16.237 -2.060 -14.227 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.605 -2.616 -13.914 1.00 23.24 H new ATOM 0 HD2 LYS A 11 15.951 -0.366 -12.368 1.00 22.43 H new ATOM 0 HD3 LYS A 11 14.920 -0.108 -13.762 1.00 22.43 H new ATOM 0 HE2 LYS A 11 13.151 -1.521 -12.455 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.163 -1.234 -11.053 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 12.429 0.427 -11.236 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 13.952 1.155 -11.423 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 12.971 0.878 -12.781 1.00 11.12 H new ATOM 181 N ASN A 12 15.851 -6.030 -10.690 1.00 51.45 N ATOM 182 CA ASN A 12 16.486 -6.858 -9.672 1.00 3.12 C ATOM 183 C ASN A 12 15.479 -7.819 -9.046 1.00 14.41 C ATOM 184 O ASN A 12 14.303 -7.824 -9.409 1.00 45.02 O ATOM 185 CB ASN A 12 17.112 -5.979 -8.586 1.00 2.42 C ATOM 186 CG ASN A 12 16.230 -4.802 -8.216 1.00 32.43 C ATOM 187 OD1 ASN A 12 15.061 -4.973 -7.871 1.00 31.00 O ATOM 188 ND2 ASN A 12 16.789 -3.600 -8.288 1.00 73.25 N ATOM 0 H ASN A 12 14.833 -6.001 -10.636 1.00 51.45 H new ATOM 0 HA ASN A 12 17.270 -7.443 -10.153 1.00 3.12 H new ATOM 0 HB2 ASN A 12 17.300 -6.582 -7.698 1.00 2.42 H new ATOM 0 HB3 ASN A 12 18.078 -5.611 -8.932 1.00 2.42 H new ATOM 0 HD21 ASN A 12 16.245 -2.770 -8.052 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.762 -3.507 -8.579 1.00 73.25 H new ATOM 195 N SER A 13 15.950 -8.630 -8.105 1.00 15.42 N ATOM 196 CA SER A 13 15.092 -9.598 -7.431 1.00 2.01 C ATOM 197 C SER A 13 14.236 -8.916 -6.367 1.00 64.12 C ATOM 198 O SER A 13 13.328 -9.525 -5.802 1.00 55.22 O ATOM 199 CB SER A 13 15.936 -10.703 -6.793 1.00 4.24 C ATOM 200 OG SER A 13 17.171 -10.854 -7.469 1.00 14.12 O ATOM 0 H SER A 13 16.921 -8.636 -7.792 1.00 15.42 H new ATOM 0 HA SER A 13 14.431 -10.041 -8.176 1.00 2.01 H new ATOM 0 HB2 SER A 13 16.118 -10.467 -5.745 1.00 4.24 H new ATOM 0 HB3 SER A 13 15.387 -11.644 -6.817 1.00 4.24 H new ATOM 0 HG SER A 13 17.693 -11.565 -7.042 1.00 14.12 H new ATOM 206 N ASN A 14 14.534 -7.649 -6.099 1.00 2.51 N ATOM 207 CA ASN A 14 13.794 -6.884 -5.102 1.00 2.11 C ATOM 208 C ASN A 14 12.403 -6.525 -5.616 1.00 40.21 C ATOM 209 O ASN A 14 11.468 -6.352 -4.834 1.00 72.22 O ATOM 210 CB ASN A 14 14.560 -5.611 -4.735 1.00 71.03 C ATOM 211 CG ASN A 14 14.237 -5.127 -3.335 1.00 13.31 C ATOM 212 OD1 ASN A 14 13.765 -4.005 -3.147 1.00 35.41 O ATOM 213 ND2 ASN A 14 14.490 -5.972 -2.343 1.00 13.12 N ATOM 0 H ASN A 14 15.283 -7.130 -6.558 1.00 2.51 H new ATOM 0 HA ASN A 14 13.684 -7.503 -4.211 1.00 2.11 H new ATOM 0 HB2 ASN A 14 15.631 -5.799 -4.814 1.00 71.03 H new ATOM 0 HB3 ASN A 14 14.320 -4.826 -5.452 1.00 71.03 H new ATOM 0 HD21 ASN A 14 14.293 -5.701 -1.380 1.00 13.12 H new ATOM 0 HD22 ASN A 14 14.881 -6.892 -2.544 1.00 13.12 H new ATOM 220 N ASP A 15 12.276 -6.414 -6.933 1.00 65.41 N ATOM 221 CA ASP A 15 10.998 -6.077 -7.551 1.00 74.11 C ATOM 222 C ASP A 15 9.985 -7.200 -7.353 1.00 3.03 C ATOM 223 O ASP A 15 8.778 -6.961 -7.307 1.00 52.11 O ATOM 224 CB ASP A 15 11.188 -5.801 -9.044 1.00 34.42 C ATOM 225 CG ASP A 15 10.175 -4.810 -9.582 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.992 -3.746 -8.953 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.565 -5.096 -10.633 1.00 11.11 O1- ATOM 0 H ASP A 15 13.041 -6.552 -7.593 1.00 65.41 H new ATOM 0 HA ASP A 15 10.614 -5.178 -7.069 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.194 -5.417 -9.215 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.106 -6.737 -9.597 1.00 34.42 H new ATOM 232 N CYS A 16 10.484 -8.427 -7.240 1.00 23.35 N ATOM 233 CA CYS A 16 9.624 -9.588 -7.049 1.00 33.41 C ATOM 234 C CYS A 16 8.843 -9.477 -5.742 1.00 13.44 C ATOM 235 O CYS A 16 9.419 -9.250 -4.678 1.00 13.33 O ATOM 236 CB CYS A 16 10.456 -10.872 -7.050 1.00 65.34 C ATOM 237 SG CYS A 16 11.238 -11.249 -8.652 1.00 62.13 S ATOM 0 H CYS A 16 11.480 -8.642 -7.278 1.00 23.35 H new ATOM 0 HA CYS A 16 8.914 -9.622 -7.875 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.232 -10.790 -6.289 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.816 -11.707 -6.764 1.00 65.34 H new ATOM 242 N CYS A 17 7.527 -9.639 -5.831 1.00 51.51 N ATOM 243 CA CYS A 17 6.664 -9.557 -4.658 1.00 14.30 C ATOM 244 C CYS A 17 6.814 -10.800 -3.785 1.00 34.03 C ATOM 245 O CYS A 17 7.310 -10.727 -2.661 1.00 53.55 O ATOM 246 CB CYS A 17 5.204 -9.391 -5.083 1.00 32.13 C ATOM 247 SG CYS A 17 4.078 -8.957 -3.718 1.00 71.00 S ATOM 0 H CYS A 17 7.034 -9.828 -6.704 1.00 51.51 H new ATOM 0 HA CYS A 17 6.966 -8.687 -4.075 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.145 -8.617 -5.849 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.862 -10.319 -5.541 1.00 32.13 H new ATOM 252 N LYS A 18 6.382 -11.940 -4.312 1.00 2.41 N ATOM 253 CA LYS A 18 6.468 -13.201 -3.583 1.00 32.05 C ATOM 254 C LYS A 18 6.390 -14.387 -4.538 1.00 15.02 C ATOM 255 O LYS A 18 5.593 -14.390 -5.476 1.00 34.32 O ATOM 256 CB LYS A 18 5.347 -13.291 -2.546 1.00 73.25 C ATOM 257 CG LYS A 18 5.460 -14.500 -1.633 1.00 5.22 C ATOM 258 CD LYS A 18 4.699 -15.692 -2.188 1.00 54.05 C ATOM 259 CE LYS A 18 3.305 -15.792 -1.588 1.00 51.15 C ATOM 260 NZ LYS A 18 2.396 -16.620 -2.429 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.969 -12.018 -5.241 1.00 2.41 H new ATOM 0 HA LYS A 18 7.430 -13.232 -3.072 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.351 -12.386 -1.939 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.388 -13.324 -3.062 1.00 73.25 H new ATOM 0 HG2 LYS A 18 6.510 -14.764 -1.507 1.00 5.22 H new ATOM 0 HG3 LYS A 18 5.073 -14.248 -0.645 1.00 5.22 H new ATOM 0 HD2 LYS A 18 4.624 -15.605 -3.272 1.00 54.05 H new ATOM 0 HD3 LYS A 18 5.253 -16.608 -1.979 1.00 54.05 H new ATOM 0 HE2 LYS A 18 3.370 -16.224 -0.589 1.00 51.15 H new ATOM 0 HE3 LYS A 18 2.885 -14.792 -1.476 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 1.456 -16.663 -1.986 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 2.314 -16.194 -3.374 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 2.783 -17.582 -2.515 1.00 61.42 H new ATOM 274 N ASP A 19 7.221 -15.394 -4.293 1.00 60.05 N ATOM 275 CA ASP A 19 7.244 -16.589 -5.130 1.00 34.00 C ATOM 276 C ASP A 19 7.705 -16.252 -6.545 1.00 62.31 C ATOM 277 O ASP A 19 7.465 -17.010 -7.484 1.00 74.31 O ATOM 278 CB ASP A 19 5.858 -17.234 -5.173 1.00 44.15 C ATOM 279 CG ASP A 19 5.901 -18.666 -5.666 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.962 -19.310 -5.528 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 4.874 -19.144 -6.194 1.00 31.11 O ATOM 0 H ASP A 19 7.888 -15.407 -3.521 1.00 60.05 H new ATOM 0 HA ASP A 19 7.952 -17.294 -4.694 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.418 -17.209 -4.176 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.208 -16.648 -5.823 1.00 44.15 H new ATOM 286 N LEU A 20 8.367 -15.110 -6.689 1.00 15.45 N ATOM 287 CA LEU A 20 8.862 -14.671 -7.989 1.00 3.34 C ATOM 288 C LEU A 20 10.371 -14.453 -7.953 1.00 15.22 C ATOM 289 O LEU A 20 10.946 -14.195 -6.895 1.00 54.12 O ATOM 290 CB LEU A 20 8.159 -13.380 -8.416 1.00 32.33 C ATOM 291 CG LEU A 20 6.885 -13.553 -9.244 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.093 -14.758 -8.761 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.034 -12.293 -9.180 1.00 74.21 C ATOM 0 H LEU A 20 8.574 -14.471 -5.921 1.00 15.45 H new ATOM 0 HA LEU A 20 8.644 -15.454 -8.715 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.912 -12.811 -7.520 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.864 -12.779 -8.991 1.00 32.33 H new ATOM 0 HG LEU A 20 7.169 -13.724 -10.282 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.190 -14.865 -9.362 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.702 -15.657 -8.858 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.818 -14.618 -7.716 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.131 -12.433 -9.775 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.759 -12.092 -8.145 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.601 -11.450 -9.575 1.00 74.21 H new ATOM 305 N VAL A 21 11.007 -14.556 -9.116 1.00 12.02 N ATOM 306 CA VAL A 21 12.449 -14.367 -9.217 1.00 44.43 C ATOM 307 C VAL A 21 12.821 -13.671 -10.522 1.00 71.53 C ATOM 308 O VAL A 21 12.413 -14.097 -11.603 1.00 64.04 O ATOM 309 CB VAL A 21 13.199 -15.709 -9.132 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.181 -16.241 -7.707 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.593 -16.720 -10.094 1.00 70.34 C ATOM 0 H VAL A 21 10.546 -14.769 -10.001 1.00 12.02 H new ATOM 0 HA VAL A 21 12.746 -13.740 -8.376 1.00 44.43 H new ATOM 0 HB VAL A 21 14.237 -15.544 -9.420 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.716 -17.190 -7.666 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.665 -15.523 -7.044 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.150 -16.392 -7.388 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.135 -17.663 -10.021 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.546 -16.883 -9.839 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.663 -16.340 -11.113 1.00 70.34 H new ATOM 321 N CYS A 22 13.600 -12.601 -10.414 1.00 50.54 N ATOM 322 CA CYS A 22 14.028 -11.845 -11.585 1.00 71.21 C ATOM 323 C CYS A 22 14.857 -12.719 -12.523 1.00 73.43 C ATOM 324 O CYS A 22 15.962 -13.140 -12.181 1.00 44.52 O ATOM 325 CB CYS A 22 14.842 -10.621 -11.159 1.00 74.43 C ATOM 326 SG CYS A 22 14.866 -9.278 -12.390 1.00 14.40 S ATOM 0 H CYS A 22 13.948 -12.237 -9.527 1.00 50.54 H new ATOM 0 HA CYS A 22 13.137 -11.513 -12.118 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.435 -10.235 -10.224 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.867 -10.932 -10.957 1.00 74.43 H new ATOM 331 N SER A 23 14.314 -12.986 -13.707 1.00 64.24 N ATOM 332 CA SER A 23 15.001 -13.812 -14.693 1.00 31.22 C ATOM 333 C SER A 23 15.471 -12.969 -15.875 1.00 73.33 C ATOM 334 O SER A 23 14.660 -12.452 -16.642 1.00 61.23 O ATOM 335 CB SER A 23 14.079 -14.931 -15.183 1.00 40.14 C ATOM 336 OG SER A 23 14.378 -16.157 -14.537 1.00 31.01 O ATOM 0 H SER A 23 13.401 -12.643 -14.006 1.00 64.24 H new ATOM 0 HA SER A 23 15.875 -14.255 -14.215 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.040 -14.660 -14.993 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.186 -15.049 -16.261 1.00 40.14 H new ATOM 0 HG SER A 23 14.166 -16.903 -15.136 1.00 31.01 H new ATOM 342 N SER A 24 16.786 -12.838 -16.015 1.00 1.30 N ATOM 343 CA SER A 24 17.364 -12.056 -17.100 1.00 51.40 C ATOM 344 C SER A 24 17.116 -12.729 -18.447 1.00 24.35 C ATOM 345 O SER A 24 17.317 -12.124 -19.502 1.00 53.40 O ATOM 346 CB SER A 24 18.867 -11.871 -16.879 1.00 44.52 C ATOM 347 OG SER A 24 19.477 -13.085 -16.477 1.00 33.02 O ATOM 0 H SER A 24 17.471 -13.264 -15.390 1.00 1.30 H new ATOM 0 HA SER A 24 16.882 -11.079 -17.107 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.332 -11.514 -17.798 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.035 -11.107 -16.120 1.00 44.52 H new ATOM 0 HG SER A 24 20.437 -12.940 -16.344 1.00 33.02 H new ATOM 353 N ARG A 25 16.679 -13.982 -18.403 1.00 75.21 N ATOM 354 CA ARG A 25 16.404 -14.739 -19.619 1.00 43.25 C ATOM 355 C ARG A 25 15.137 -14.231 -20.301 1.00 61.22 C ATOM 356 O ARG A 25 15.120 -14.004 -21.510 1.00 1.33 O ATOM 357 CB ARG A 25 16.260 -16.227 -19.297 1.00 4.34 C ATOM 358 CG ARG A 25 15.580 -17.025 -20.398 1.00 65.22 C ATOM 359 CD ARG A 25 15.847 -18.516 -20.251 1.00 1.10 C ATOM 360 NE ARG A 25 15.467 -19.260 -21.449 1.00 14.51 N ATOM 361 CZ ARG A 25 16.211 -19.314 -22.547 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.370 -18.671 -22.599 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.799 -20.013 -23.597 1.00 71.15 N ATOM 0 H ARG A 25 16.507 -14.496 -17.539 1.00 75.21 H new ATOM 0 HA ARG A 25 17.243 -14.601 -20.300 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.249 -16.648 -19.113 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.690 -16.337 -18.375 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.506 -16.842 -20.371 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.937 -16.684 -21.370 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.905 -18.676 -20.045 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.294 -18.901 -19.394 1.00 1.10 H new ATOM 0 HE ARG A 25 14.581 -19.766 -21.442 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.692 -18.133 -21.794 1.00 4.04 H new ATOM 0 HH12 ARG A 25 17.940 -18.714 -23.444 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.909 -20.510 -23.561 1.00 71.15 H new ATOM 0 HH22 ARG A 25 16.372 -20.053 -24.440 1.00 71.15 H new ATOM 377 N TRP A 26 14.080 -14.054 -19.516 1.00 21.33 N ATOM 378 CA TRP A 26 12.808 -13.573 -20.045 1.00 11.24 C ATOM 379 C TRP A 26 12.690 -12.061 -19.887 1.00 12.14 C ATOM 380 O TRP A 26 11.732 -11.450 -20.362 1.00 65.35 O ATOM 381 CB TRP A 26 11.643 -14.265 -19.336 1.00 62.44 C ATOM 382 CG TRP A 26 11.862 -15.734 -19.127 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.315 -16.342 -17.992 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.639 -16.777 -20.082 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.386 -17.700 -18.183 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.977 -17.993 -19.456 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.185 -16.802 -21.404 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.876 -19.218 -20.110 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.085 -18.019 -22.050 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.428 -19.214 -21.403 1.00 42.31 C ATOM 0 H TRP A 26 14.078 -14.236 -18.512 1.00 21.33 H new ATOM 0 HA TRP A 26 12.771 -13.812 -21.108 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.481 -13.788 -18.369 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.734 -14.120 -19.920 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.579 -15.830 -17.078 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.694 -18.381 -17.488 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.917 -15.887 -21.911 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.142 -20.140 -19.614 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.736 -18.050 -23.072 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.337 -20.149 -21.935 1.00 42.31 H new ATOM 401 N LYS A 27 13.668 -11.463 -19.217 1.00 43.14 N ATOM 402 CA LYS A 27 13.676 -10.021 -18.996 1.00 71.25 C ATOM 403 C LYS A 27 12.578 -9.615 -18.019 1.00 75.02 C ATOM 404 O LYS A 27 12.110 -8.476 -18.035 1.00 43.34 O ATOM 405 CB LYS A 27 13.491 -9.281 -20.324 1.00 41.51 C ATOM 406 CG LYS A 27 14.309 -9.863 -21.463 1.00 33.01 C ATOM 407 CD LYS A 27 15.791 -9.887 -21.131 1.00 24.01 C ATOM 408 CE LYS A 27 16.599 -10.554 -22.233 1.00 21.54 C ATOM 409 NZ LYS A 27 18.042 -10.657 -21.879 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.467 -11.955 -18.817 1.00 43.14 H new ATOM 0 HA LYS A 27 14.640 -9.749 -18.566 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.436 -9.301 -20.598 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.765 -8.235 -20.189 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.967 -10.876 -21.677 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.147 -9.274 -22.366 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.148 -8.868 -20.983 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.946 -10.419 -20.192 1.00 24.01 H new ATOM 0 HE2 LYS A 27 16.200 -11.550 -22.423 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.492 -9.986 -23.157 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.549 -11.162 -22.633 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.442 -9.703 -21.772 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 18.144 -11.178 -20.984 1.00 72.21 H new ATOM 423 N TRP A 28 12.174 -10.550 -17.167 1.00 25.15 N ATOM 424 CA TRP A 28 11.132 -10.288 -16.181 1.00 74.44 C ATOM 425 C TRP A 28 11.103 -11.380 -15.117 1.00 44.12 C ATOM 426 O TRP A 28 11.738 -12.424 -15.268 1.00 32.41 O ATOM 427 CB TRP A 28 9.768 -10.188 -16.865 1.00 20.43 C ATOM 428 CG TRP A 28 9.379 -11.434 -17.600 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.283 -12.695 -17.084 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.034 -11.539 -18.985 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.900 -13.577 -18.065 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.741 -12.893 -19.241 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.943 -10.621 -20.036 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.364 -13.348 -20.502 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.569 -11.075 -21.287 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.283 -12.428 -21.511 1.00 71.13 C ATOM 0 H TRP A 28 12.552 -11.497 -17.139 1.00 25.15 H new ATOM 0 HA TRP A 28 11.357 -9.339 -15.694 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.009 -9.965 -16.115 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.781 -9.352 -17.564 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.479 -12.960 -16.056 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.757 -14.579 -17.938 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.161 -9.576 -19.873 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.143 -14.391 -20.677 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.496 -10.375 -22.106 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.993 -12.751 -22.500 1.00 71.13 H new ATOM 447 N CYS A 29 10.362 -11.133 -14.042 1.00 34.14 N ATOM 448 CA CYS A 29 10.250 -12.095 -12.953 1.00 4.32 C ATOM 449 C CYS A 29 9.451 -13.320 -13.390 1.00 65.42 C ATOM 450 O CYS A 29 8.424 -13.200 -14.057 1.00 54.55 O ATOM 451 CB CYS A 29 9.584 -11.446 -11.738 1.00 2.32 C ATOM 452 SG CYS A 29 10.758 -10.795 -10.506 1.00 13.01 S ATOM 0 H CYS A 29 9.830 -10.274 -13.902 1.00 34.14 H new ATOM 0 HA CYS A 29 11.255 -12.416 -12.680 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.944 -10.633 -12.079 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.938 -12.180 -11.256 1.00 2.32 H new ATOM 457 N VAL A 30 9.933 -14.500 -13.008 1.00 54.32 N ATOM 458 CA VAL A 30 9.264 -15.747 -13.358 1.00 70.23 C ATOM 459 C VAL A 30 8.965 -16.578 -12.115 1.00 25.44 C ATOM 460 O VAL A 30 9.641 -16.453 -11.094 1.00 2.32 O ATOM 461 CB VAL A 30 10.114 -16.586 -14.331 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.104 -15.967 -15.720 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.537 -16.724 -13.810 1.00 33.45 C ATOM 0 H VAL A 30 10.783 -14.617 -12.457 1.00 54.32 H new ATOM 0 HA VAL A 30 8.327 -15.478 -13.845 1.00 70.23 H new ATOM 0 HB VAL A 30 9.678 -17.582 -14.401 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.710 -16.574 -16.393 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.080 -15.924 -16.092 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.515 -14.959 -15.672 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.124 -17.319 -14.509 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.985 -15.735 -13.710 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.522 -17.216 -12.837 1.00 33.45 H new ATOM 473 N LEU A 31 7.949 -17.428 -12.209 1.00 4.15 N ATOM 474 CA LEU A 31 7.559 -18.281 -11.092 1.00 75.23 C ATOM 475 C LEU A 31 8.739 -19.120 -10.611 1.00 50.02 C ATOM 476 O LEU A 31 9.231 -19.987 -11.333 1.00 22.54 O ATOM 477 CB LEU A 31 6.402 -19.195 -11.502 1.00 61.45 C ATOM 478 CG LEU A 31 5.018 -18.795 -10.989 1.00 2.24 C ATOM 479 CD1 LEU A 31 4.973 -18.858 -9.470 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.649 -17.402 -11.478 1.00 41.33 C ATOM 0 H LEU A 31 7.380 -17.545 -13.047 1.00 4.15 H new ATOM 0 HA LEU A 31 7.234 -17.640 -10.273 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.366 -19.237 -12.591 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.620 -20.204 -11.151 1.00 61.45 H new ATOM 0 HG LEU A 31 4.288 -19.502 -11.383 1.00 2.24 H new ATOM 0 HD11 LEU A 31 3.981 -18.570 -9.123 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.192 -19.874 -9.141 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.714 -18.175 -9.055 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.661 -17.135 -11.103 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.382 -16.682 -11.114 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.639 -17.390 -12.568 1.00 41.33 H new ATOM 492 N ALA A 32 9.184 -18.858 -9.387 1.00 4.33 N ATOM 493 CA ALA A 32 10.303 -19.593 -8.808 1.00 15.15 C ATOM 494 C ALA A 32 10.072 -21.097 -8.886 1.00 55.54 C ATOM 495 O ALA A 32 9.040 -21.600 -8.443 1.00 73.11 O ATOM 496 CB ALA A 32 10.524 -19.165 -7.365 1.00 71.52 C ATOM 0 H ALA A 32 8.788 -18.143 -8.777 1.00 4.33 H new ATOM 0 HA ALA A 32 11.197 -19.360 -9.386 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.362 -19.721 -6.945 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.744 -18.098 -7.332 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.625 -19.369 -6.783 1.00 71.52 H new ATOM 502 N SER A 33 11.038 -21.812 -9.455 1.00 5.52 N ATOM 503 CA SER A 33 10.937 -23.259 -9.595 1.00 3.12 C ATOM 504 C SER A 33 11.402 -23.963 -8.323 1.00 20.44 C ATOM 505 O SER A 33 12.112 -23.394 -7.494 1.00 14.20 O ATOM 506 CB SER A 33 11.767 -23.736 -10.788 1.00 12.34 C ATOM 507 OG SER A 33 10.994 -23.751 -11.975 1.00 42.23 O ATOM 0 H SER A 33 11.900 -21.412 -9.826 1.00 5.52 H new ATOM 0 HA SER A 33 9.890 -23.510 -9.766 1.00 3.12 H new ATOM 0 HB2 SER A 33 12.629 -23.082 -10.920 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.153 -24.736 -10.589 1.00 12.34 H new ATOM 0 HG SER A 33 11.548 -24.058 -12.723 1.00 42.23 H new ATOM 513 N PRO A 34 10.992 -25.229 -8.166 1.00 13.32 N ATOM 514 CA PRO A 34 11.355 -26.039 -6.999 1.00 50.50 C ATOM 515 C PRO A 34 12.833 -26.412 -6.988 1.00 43.10 C ATOM 516 O PRO A 34 13.413 -26.665 -5.932 1.00 12.32 O ATOM 517 CB PRO A 34 10.489 -27.292 -7.152 1.00 41.21 C ATOM 518 CG PRO A 34 10.216 -27.387 -8.614 1.00 4.12 C ATOM 519 CD PRO A 34 10.145 -25.970 -9.115 1.00 51.01 C ATOM 0 HA PRO A 34 11.191 -25.502 -6.065 1.00 50.50 H new ATOM 0 HB2 PRO A 34 11.008 -28.179 -6.788 1.00 41.21 H new ATOM 0 HB3 PRO A 34 9.564 -27.206 -6.581 1.00 41.21 H new ATOM 0 HG2 PRO A 34 11.004 -27.942 -9.123 1.00 4.12 H new ATOM 0 HG3 PRO A 34 9.281 -27.915 -8.803 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.517 -25.886 -10.136 1.00 51.01 H new ATOM 0 HD3 PRO A 34 9.121 -25.595 -9.117 1.00 51.01 H new ATOM 527 N PHE A 35 13.439 -26.445 -8.170 1.00 64.13 N ATOM 528 CA PHE A 35 14.851 -26.788 -8.298 1.00 72.03 C ATOM 529 C PHE A 35 15.634 -25.641 -8.928 1.00 44.31 C ATOM 530 O PHE A 35 15.653 -25.486 -10.148 1.00 62.35 O ATOM 531 CB PHE A 35 15.016 -28.056 -9.138 1.00 53.23 C ATOM 532 CG PHE A 35 14.923 -29.323 -8.336 1.00 63.23 C ATOM 533 CD1 PHE A 35 15.944 -29.688 -7.474 1.00 33.02 C ATOM 534 CD2 PHE A 35 13.815 -30.148 -8.446 1.00 5.32 C ATOM 535 CE1 PHE A 35 15.862 -30.854 -6.737 1.00 33.23 C ATOM 536 CE2 PHE A 35 13.727 -31.315 -7.710 1.00 42.13 C ATOM 537 CZ PHE A 35 14.752 -31.668 -6.854 1.00 1.41 C ATOM 0 H PHE A 35 12.974 -26.238 -9.054 1.00 64.13 H new ATOM 0 HA PHE A 35 15.247 -26.969 -7.299 1.00 72.03 H new ATOM 0 HB2 PHE A 35 14.251 -28.070 -9.914 1.00 53.23 H new ATOM 0 HB3 PHE A 35 15.982 -28.025 -9.643 1.00 53.23 H new ATOM 0 HD1 PHE A 35 16.813 -29.055 -7.377 1.00 33.02 H new ATOM 0 HD2 PHE A 35 13.011 -29.876 -9.114 1.00 5.32 H new ATOM 0 HE1 PHE A 35 16.665 -31.129 -6.070 1.00 33.23 H new ATOM 0 HE2 PHE A 35 12.858 -31.950 -7.804 1.00 42.13 H new ATOM 0 HZ PHE A 35 14.686 -32.579 -6.277 1.00 1.41 H new TER 547 PHE A 35