USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=7 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+ -123:sc= 0.108 (180deg=0) USER MOD Single : A 1 SER OG : rot 33:sc= 0.0304 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 159:sc= 0 (180deg=-0.624) 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 K(o=0,f=-1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -140:sc= -0.178 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.345 -0.372 0.130 1.00 52.43 N ATOM 2 CA SER A 1 2.788 -0.136 -1.197 1.00 24.24 C ATOM 3 C SER A 1 2.700 -1.437 -1.988 1.00 44.41 C ATOM 4 O SER A 1 3.026 -2.509 -1.478 1.00 73.41 O ATOM 5 CB SER A 1 3.641 0.881 -1.958 1.00 3.13 C ATOM 6 OG SER A 1 2.970 1.340 -3.119 1.00 33.44 O ATOM 0 H1 SER A 1 2.676 -0.036 0.852 1.00 52.43 H new ATOM 0 H2 SER A 1 3.512 -1.390 0.260 1.00 52.43 H new ATOM 0 H3 SER A 1 4.244 0.142 0.225 1.00 52.43 H new ATOM 0 HA SER A 1 1.781 0.264 -1.076 1.00 24.24 H new ATOM 0 HB2 SER A 1 3.871 1.726 -1.309 1.00 3.13 H new ATOM 0 HB3 SER A 1 4.591 0.426 -2.239 1.00 3.13 H new ATOM 0 HG SER A 1 2.005 1.362 -2.952 1.00 33.44 H new ATOM 12 N GLU A 2 2.259 -1.335 -3.238 1.00 41.25 N ATOM 13 CA GLU A 2 2.128 -2.504 -4.099 1.00 73.01 C ATOM 14 C GLU A 2 3.486 -3.155 -4.344 1.00 11.12 C ATOM 15 O GLU A 2 4.524 -2.618 -3.953 1.00 60.40 O ATOM 16 CB GLU A 2 1.490 -2.112 -5.435 1.00 23.35 C ATOM 17 CG GLU A 2 0.440 -3.097 -5.919 1.00 11.21 C ATOM 18 CD GLU A 2 -0.615 -2.442 -6.790 1.00 4.33 C ATOM 19 OE1 GLU A 2 -0.269 -1.499 -7.532 1.00 33.02 O ATOM 20 OE2 GLU A 2 -1.787 -2.871 -6.728 1.00 41.33 O1- ATOM 0 H GLU A 2 1.987 -0.455 -3.676 1.00 41.25 H new ATOM 0 HA GLU A 2 1.485 -3.225 -3.594 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.034 -1.127 -5.335 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.271 -2.026 -6.190 1.00 23.35 H new ATOM 0 HG2 GLU A 2 0.926 -3.894 -6.481 1.00 11.21 H new ATOM 0 HG3 GLU A 2 -0.041 -3.562 -5.058 1.00 11.21 H new ATOM 27 N CYS A 3 3.472 -4.314 -4.992 1.00 42.14 N ATOM 28 CA CYS A 3 4.702 -5.041 -5.288 1.00 42.15 C ATOM 29 C CYS A 3 4.746 -5.459 -6.755 1.00 30.34 C ATOM 30 O CYS A 3 3.852 -5.128 -7.533 1.00 64.22 O ATOM 31 CB CYS A 3 4.818 -6.274 -4.391 1.00 34.30 C ATOM 32 SG CYS A 3 3.295 -7.270 -4.293 1.00 72.02 S ATOM 0 H CYS A 3 2.622 -4.771 -5.323 1.00 42.14 H new ATOM 0 HA CYS A 3 5.544 -4.377 -5.092 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.628 -6.903 -4.760 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.095 -5.954 -3.387 1.00 34.30 H new ATOM 37 N GLY A 4 5.794 -6.188 -7.125 1.00 4.44 N ATOM 38 CA GLY A 4 5.936 -6.640 -8.497 1.00 13.42 C ATOM 39 C GLY A 4 4.848 -7.614 -8.903 1.00 43.02 C ATOM 40 O GLY A 4 3.754 -7.606 -8.336 1.00 51.20 O ATOM 0 H GLY A 4 6.547 -6.474 -6.499 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.915 -5.778 -9.164 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.909 -7.115 -8.621 1.00 13.42 H new ATOM 44 N LYS A 5 5.146 -8.454 -9.888 1.00 14.14 N ATOM 45 CA LYS A 5 4.185 -9.439 -10.371 1.00 71.53 C ATOM 46 C LYS A 5 4.848 -10.419 -11.333 1.00 3.13 C ATOM 47 O LYS A 5 6.001 -10.239 -11.722 1.00 70.30 O ATOM 48 CB LYS A 5 3.012 -8.741 -11.063 1.00 45.22 C ATOM 49 CG LYS A 5 1.652 -9.171 -10.539 1.00 15.10 C ATOM 50 CD LYS A 5 0.584 -9.070 -11.614 1.00 72.00 C ATOM 51 CE LYS A 5 -0.537 -8.129 -11.198 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.817 -8.452 -11.887 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.046 -8.473 -10.368 1.00 14.14 H new ATOM 0 HA LYS A 5 3.811 -9.997 -9.513 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.116 -7.663 -10.937 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.060 -8.943 -12.133 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.709 -10.197 -10.176 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.375 -8.547 -9.689 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.033 -8.716 -12.542 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.174 -10.060 -11.816 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.680 -8.189 -10.119 1.00 3.34 H new ATOM 0 HE3 LYS A 5 -0.252 -7.102 -11.425 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.555 -7.789 -11.577 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.688 -8.370 -12.916 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.103 -9.424 -11.651 1.00 33.12 H new ATOM 66 N PHE A 6 4.109 -11.456 -11.715 1.00 1.44 N ATOM 67 CA PHE A 6 4.626 -12.465 -12.633 1.00 43.32 C ATOM 68 C PHE A 6 4.678 -11.926 -14.060 1.00 62.05 C ATOM 69 O PHE A 6 3.797 -11.179 -14.485 1.00 70.24 O ATOM 70 CB PHE A 6 3.757 -13.723 -12.582 1.00 24.12 C ATOM 71 CG PHE A 6 4.100 -14.731 -13.642 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.392 -15.218 -13.762 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.131 -15.193 -14.518 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.712 -16.146 -14.735 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.444 -16.120 -15.493 1.00 72.54 C ATOM 76 CZ PHE A 6 4.736 -16.597 -15.602 1.00 32.12 C ATOM 0 H PHE A 6 3.152 -11.620 -11.404 1.00 1.44 H new ATOM 0 HA PHE A 6 5.639 -12.719 -12.322 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.862 -14.188 -11.602 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.711 -13.437 -12.689 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.159 -14.868 -13.087 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.119 -14.824 -14.438 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.723 -16.518 -14.817 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.679 -16.472 -16.170 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.982 -17.322 -16.364 1.00 32.12 H new ATOM 86 N MET A 7 5.718 -12.310 -14.793 1.00 43.35 N ATOM 87 CA MET A 7 5.885 -11.866 -16.172 1.00 21.13 C ATOM 88 C MET A 7 6.035 -10.350 -16.241 1.00 62.32 C ATOM 89 O MET A 7 5.801 -9.741 -17.284 1.00 44.50 O ATOM 90 CB MET A 7 4.693 -12.311 -17.022 1.00 61.22 C ATOM 91 CG MET A 7 5.020 -13.443 -17.982 1.00 50.33 C ATOM 92 SD MET A 7 3.864 -13.539 -19.362 1.00 74.33 S ATOM 93 CE MET A 7 4.862 -14.389 -20.582 1.00 44.25 C ATOM 0 H MET A 7 6.457 -12.927 -14.456 1.00 43.35 H new ATOM 0 HA MET A 7 6.793 -12.322 -16.566 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.885 -12.627 -16.362 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.325 -11.458 -17.591 1.00 61.22 H new ATOM 0 HG2 MET A 7 6.030 -13.306 -18.368 1.00 50.33 H new ATOM 0 HG3 MET A 7 5.011 -14.388 -17.439 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.213 -14.850 -21.326 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.525 -13.675 -21.071 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.457 -15.160 -20.092 1.00 44.25 H new ATOM 103 N TRP A 8 6.426 -9.748 -15.124 1.00 34.43 N ATOM 104 CA TRP A 8 6.607 -8.301 -15.057 1.00 22.41 C ATOM 105 C TRP A 8 8.087 -7.939 -15.023 1.00 34.33 C ATOM 106 O TRP A 8 8.847 -8.467 -14.212 1.00 51.25 O ATOM 107 CB TRP A 8 5.900 -7.734 -13.825 1.00 44.33 C ATOM 108 CG TRP A 8 4.422 -7.574 -14.009 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.613 -8.311 -14.825 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.577 -6.615 -13.362 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.316 -7.868 -14.726 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.268 -6.830 -13.834 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.800 -5.599 -12.429 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.188 -6.063 -13.405 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.727 -4.839 -12.004 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.434 -5.075 -12.491 1.00 23.11 C ATOM 0 H TRP A 8 6.624 -10.238 -14.252 1.00 34.43 H new ATOM 0 HA TRP A 8 6.166 -7.863 -15.952 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.084 -8.391 -12.975 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.335 -6.765 -13.579 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.944 -9.123 -15.456 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.519 -8.250 -15.234 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.793 -5.411 -12.047 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.191 -6.242 -13.780 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.887 -4.050 -11.284 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.616 -4.465 -12.138 1.00 23.11 H new ATOM 127 N LYS A 9 8.491 -7.035 -15.909 1.00 21.41 N ATOM 128 CA LYS A 9 9.881 -6.599 -15.979 1.00 71.24 C ATOM 129 C LYS A 9 10.394 -6.194 -14.601 1.00 45.12 C ATOM 130 O LYS A 9 9.642 -5.680 -13.774 1.00 22.42 O ATOM 131 CB LYS A 9 10.021 -5.427 -16.953 1.00 71.41 C ATOM 132 CG LYS A 9 9.938 -5.837 -18.414 1.00 42.53 C ATOM 133 CD LYS A 9 8.504 -5.818 -18.916 1.00 21.25 C ATOM 134 CE LYS A 9 8.446 -5.868 -20.436 1.00 65.14 C ATOM 135 NZ LYS A 9 7.108 -5.464 -20.952 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.875 -6.590 -16.589 1.00 21.41 H new ATOM 0 HA LYS A 9 10.481 -7.435 -16.339 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.239 -4.697 -16.744 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.976 -4.931 -16.777 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.545 -5.162 -19.018 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.355 -6.837 -18.537 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.961 -6.667 -18.502 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.005 -4.916 -18.561 1.00 21.25 H new ATOM 0 HE2 LYS A 9 9.209 -5.210 -20.851 1.00 65.14 H new ATOM 0 HE3 LYS A 9 8.677 -6.878 -20.776 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.108 -5.511 -21.991 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.382 -6.107 -20.576 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.898 -4.491 -20.649 1.00 63.20 H new ATOM 149 N CYS A 10 11.681 -6.426 -14.362 1.00 44.41 N ATOM 150 CA CYS A 10 12.296 -6.085 -13.085 1.00 52.21 C ATOM 151 C CYS A 10 13.792 -5.836 -13.252 1.00 12.32 C ATOM 152 O CYS A 10 14.466 -6.527 -14.016 1.00 13.12 O ATOM 153 CB CYS A 10 12.063 -7.202 -12.067 1.00 5.43 C ATOM 154 SG CYS A 10 12.975 -8.738 -12.428 1.00 71.00 S ATOM 0 H CYS A 10 12.318 -6.849 -15.037 1.00 44.41 H new ATOM 0 HA CYS A 10 11.832 -5.169 -12.720 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.351 -6.844 -11.079 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.997 -7.426 -12.026 1.00 5.43 H new ATOM 159 N LYS A 11 14.305 -4.846 -12.530 1.00 64.42 N ATOM 160 CA LYS A 11 15.721 -4.506 -12.595 1.00 41.35 C ATOM 161 C LYS A 11 16.524 -5.323 -11.587 1.00 30.14 C ATOM 162 O LYS A 11 17.754 -5.324 -11.614 1.00 31.31 O ATOM 163 CB LYS A 11 15.922 -3.011 -12.330 1.00 1.10 C ATOM 164 CG LYS A 11 15.220 -2.116 -13.338 1.00 23.24 C ATOM 165 CD LYS A 11 15.247 -0.660 -12.903 1.00 22.43 C ATOM 166 CE LYS A 11 14.081 -0.331 -11.984 1.00 23.11 C ATOM 167 NZ LYS A 11 13.885 1.138 -11.842 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.761 -4.265 -11.893 1.00 64.42 H new ATOM 0 HA LYS A 11 16.079 -4.743 -13.597 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.557 -2.775 -11.331 1.00 1.10 H new ATOM 0 HB3 LYS A 11 16.989 -2.789 -12.340 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.701 -2.215 -14.311 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.187 -2.442 -13.458 1.00 23.24 H new ATOM 0 HD2 LYS A 11 16.186 -0.450 -12.391 1.00 22.43 H new ATOM 0 HD3 LYS A 11 15.212 -0.016 -13.782 1.00 22.43 H new ATOM 0 HE2 LYS A 11 13.170 -0.783 -12.377 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.257 -0.771 -11.002 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 13.081 1.321 -11.208 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 14.745 1.566 -11.443 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 13.692 1.554 -12.775 1.00 11.12 H new ATOM 181 N ASN A 12 15.819 -6.017 -10.700 1.00 51.45 N ATOM 182 CA ASN A 12 16.467 -6.839 -9.684 1.00 3.12 C ATOM 183 C ASN A 12 15.473 -7.816 -9.061 1.00 14.41 C ATOM 184 O ASN A 12 14.297 -7.837 -9.424 1.00 45.02 O ATOM 185 CB ASN A 12 17.079 -5.955 -8.597 1.00 2.42 C ATOM 186 CG ASN A 12 16.239 -4.725 -8.311 1.00 32.43 C ATOM 187 OD1 ASN A 12 15.026 -4.818 -8.123 1.00 31.00 O ATOM 188 ND2 ASN A 12 16.883 -3.564 -8.276 1.00 73.25 N ATOM 0 H ASN A 12 14.800 -6.027 -10.664 1.00 51.45 H new ATOM 0 HA ASN A 12 17.260 -7.411 -10.166 1.00 3.12 H new ATOM 0 HB2 ASN A 12 17.192 -6.535 -7.681 1.00 2.42 H new ATOM 0 HB3 ASN A 12 18.078 -5.646 -8.904 1.00 2.42 H new ATOM 0 HD21 ASN A 12 16.371 -2.702 -8.087 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.890 -3.534 -8.438 1.00 73.25 H new ATOM 195 N SER A 13 15.956 -8.623 -8.121 1.00 15.42 N ATOM 196 CA SER A 13 15.113 -9.604 -7.450 1.00 2.01 C ATOM 197 C SER A 13 14.254 -8.939 -6.378 1.00 64.12 C ATOM 198 O SER A 13 13.354 -9.561 -5.815 1.00 55.22 O ATOM 199 CB SER A 13 15.972 -10.702 -6.822 1.00 4.24 C ATOM 200 OG SER A 13 16.413 -10.328 -5.528 1.00 14.12 O ATOM 0 H SER A 13 16.927 -8.616 -7.808 1.00 15.42 H new ATOM 0 HA SER A 13 14.454 -10.050 -8.195 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.398 -11.627 -6.761 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.833 -10.903 -7.459 1.00 4.24 H new ATOM 0 HG SER A 13 16.959 -11.048 -5.148 1.00 14.12 H new ATOM 206 N ASN A 14 14.539 -7.672 -6.102 1.00 2.51 N ATOM 207 CA ASN A 14 13.794 -6.921 -5.098 1.00 2.11 C ATOM 208 C ASN A 14 12.400 -6.566 -5.607 1.00 40.21 C ATOM 209 O ASN A 14 11.464 -6.405 -4.824 1.00 72.22 O ATOM 210 CB ASN A 14 14.550 -5.646 -4.718 1.00 71.03 C ATOM 211 CG ASN A 14 15.515 -5.868 -3.569 1.00 13.31 C ATOM 212 OD1 ASN A 14 15.255 -6.670 -2.672 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.635 -5.155 -3.591 1.00 13.12 N ATOM 0 H ASN A 14 15.281 -7.143 -6.560 1.00 2.51 H new ATOM 0 HA ASN A 14 13.690 -7.550 -4.214 1.00 2.11 H new ATOM 0 HB2 ASN A 14 15.100 -5.280 -5.585 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.835 -4.871 -4.444 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.322 -5.261 -2.844 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.809 -4.502 -4.355 1.00 13.12 H new ATOM 220 N ASP A 15 12.271 -6.444 -6.924 1.00 65.41 N ATOM 221 CA ASP A 15 10.992 -6.110 -7.539 1.00 74.11 C ATOM 222 C ASP A 15 9.987 -7.242 -7.352 1.00 3.03 C ATOM 223 O ASP A 15 8.777 -7.011 -7.310 1.00 52.11 O ATOM 224 CB ASP A 15 11.179 -5.818 -9.029 1.00 34.42 C ATOM 225 CG ASP A 15 10.260 -4.718 -9.524 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.213 -4.486 -8.883 1.00 30.12 O ATOM 227 OD2 ASP A 15 10.589 -4.088 -10.550 1.00 11.11 O1- ATOM 0 H ASP A 15 13.037 -6.571 -7.586 1.00 65.41 H new ATOM 0 HA ASP A 15 10.603 -5.218 -7.048 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.215 -5.532 -9.213 1.00 34.42 H new ATOM 0 HB3 ASP A 15 10.993 -6.727 -9.600 1.00 34.42 H new ATOM 232 N CYS A 16 10.493 -8.465 -7.242 1.00 23.35 N ATOM 233 CA CYS A 16 9.641 -9.633 -7.061 1.00 33.41 C ATOM 234 C CYS A 16 8.848 -9.532 -5.761 1.00 13.44 C ATOM 235 O CYS A 16 9.417 -9.330 -4.688 1.00 13.33 O ATOM 236 CB CYS A 16 10.484 -10.910 -7.059 1.00 65.34 C ATOM 237 SG CYS A 16 11.270 -11.285 -8.659 1.00 62.13 S ATOM 0 H CYS A 16 11.491 -8.673 -7.275 1.00 23.35 H new ATOM 0 HA CYS A 16 8.938 -9.671 -7.893 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.259 -10.820 -6.298 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.851 -11.750 -6.772 1.00 65.34 H new ATOM 242 N CYS A 17 7.531 -9.673 -5.865 1.00 51.51 N ATOM 243 CA CYS A 17 6.658 -9.598 -4.700 1.00 14.30 C ATOM 244 C CYS A 17 6.808 -10.841 -3.827 1.00 34.03 C ATOM 245 O CYS A 17 7.304 -10.768 -2.703 1.00 53.55 O ATOM 246 CB CYS A 17 5.201 -9.442 -5.138 1.00 32.13 C ATOM 247 SG CYS A 17 4.058 -9.025 -3.781 1.00 71.00 S ATOM 0 H CYS A 17 7.044 -9.840 -6.746 1.00 51.51 H new ATOM 0 HA CYS A 17 6.950 -8.726 -4.114 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.143 -8.665 -5.900 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.871 -10.370 -5.604 1.00 32.13 H new ATOM 252 N LYS A 18 6.376 -11.982 -4.353 1.00 2.41 N ATOM 253 CA LYS A 18 6.463 -13.243 -3.624 1.00 32.05 C ATOM 254 C LYS A 18 6.411 -14.429 -4.582 1.00 15.02 C ATOM 255 O LYS A 18 5.617 -14.445 -5.523 1.00 34.32 O ATOM 256 CB LYS A 18 5.325 -13.345 -2.606 1.00 73.25 C ATOM 257 CG LYS A 18 5.723 -14.046 -1.318 1.00 5.22 C ATOM 258 CD LYS A 18 6.639 -13.177 -0.472 1.00 54.05 C ATOM 259 CE LYS A 18 5.849 -12.310 0.495 1.00 51.15 C ATOM 260 NZ LYS A 18 6.741 -11.550 1.414 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.962 -12.060 -5.282 1.00 2.41 H new ATOM 0 HA LYS A 18 7.417 -13.266 -3.097 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.969 -12.342 -2.369 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.491 -13.881 -3.059 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.829 -14.297 -0.748 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.225 -14.985 -1.553 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.329 -13.810 0.086 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.242 -12.543 -1.121 1.00 54.05 H new ATOM 0 HE2 LYS A 18 5.228 -11.613 -0.067 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.176 -12.938 1.079 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.164 -10.971 2.057 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 7.316 -12.216 1.969 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 7.366 -10.932 0.859 1.00 61.42 H new ATOM 274 N ASP A 19 7.261 -15.420 -4.335 1.00 60.05 N ATOM 275 CA ASP A 19 7.311 -16.611 -5.173 1.00 34.00 C ATOM 276 C ASP A 19 7.768 -16.264 -6.586 1.00 62.31 C ATOM 277 O ASP A 19 7.535 -17.021 -7.529 1.00 74.31 O ATOM 278 CB ASP A 19 5.938 -17.286 -5.220 1.00 44.15 C ATOM 279 CG ASP A 19 5.959 -18.682 -4.630 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.533 -18.854 -3.534 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.402 -19.603 -5.264 1.00 31.11 O ATOM 0 H ASP A 19 7.925 -15.421 -3.561 1.00 60.05 H new ATOM 0 HA ASP A 19 8.033 -17.301 -4.736 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.217 -16.676 -4.676 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.596 -17.337 -6.254 1.00 44.15 H new ATOM 286 N LEU A 20 8.419 -15.114 -6.725 1.00 15.45 N ATOM 287 CA LEU A 20 8.909 -14.664 -8.023 1.00 3.34 C ATOM 288 C LEU A 20 10.416 -14.429 -7.985 1.00 15.22 C ATOM 289 O LEU A 20 10.979 -14.115 -6.937 1.00 54.12 O ATOM 290 CB LEU A 20 8.192 -13.381 -8.444 1.00 32.33 C ATOM 291 CG LEU A 20 6.923 -13.563 -9.277 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.146 -14.782 -8.806 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.055 -12.315 -9.208 1.00 74.21 C ATOM 0 H LEU A 20 8.620 -14.476 -5.955 1.00 15.45 H new ATOM 0 HA LEU A 20 8.700 -15.446 -8.753 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.935 -12.821 -7.545 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.891 -12.768 -9.013 1.00 32.33 H new ATOM 0 HG LEU A 20 7.213 -13.722 -10.316 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.246 -14.896 -9.410 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.767 -15.672 -8.909 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.867 -14.654 -7.760 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.156 -12.463 -9.807 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.774 -12.124 -8.172 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.613 -11.462 -9.595 1.00 74.21 H new ATOM 305 N VAL A 21 11.063 -14.583 -9.136 1.00 12.02 N ATOM 306 CA VAL A 21 12.504 -14.383 -9.236 1.00 44.43 C ATOM 307 C VAL A 21 12.875 -13.688 -10.541 1.00 71.53 C ATOM 308 O VAL A 21 12.474 -14.120 -11.622 1.00 64.04 O ATOM 309 CB VAL A 21 13.263 -15.721 -9.146 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.154 -16.304 -7.745 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.736 -16.702 -10.183 1.00 70.34 C ATOM 0 H VAL A 21 10.612 -14.846 -10.012 1.00 12.02 H new ATOM 0 HA VAL A 21 12.794 -13.751 -8.397 1.00 44.43 H new ATOM 0 HB VAL A 21 14.317 -15.536 -9.355 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.696 -17.249 -7.701 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.582 -15.606 -7.026 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.105 -16.476 -7.503 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.283 -17.642 -10.106 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.676 -16.884 -10.006 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.871 -16.284 -11.181 1.00 70.34 H new ATOM 321 N CYS A 22 13.642 -12.609 -10.432 1.00 50.54 N ATOM 322 CA CYS A 22 14.067 -11.852 -11.604 1.00 71.21 C ATOM 323 C CYS A 22 14.880 -12.728 -12.552 1.00 73.43 C ATOM 324 O CYS A 22 15.985 -13.158 -12.222 1.00 44.52 O ATOM 325 CB CYS A 22 14.894 -10.636 -11.178 1.00 74.43 C ATOM 326 SG CYS A 22 14.877 -9.268 -12.380 1.00 14.40 S ATOM 0 H CYS A 22 13.982 -12.239 -9.545 1.00 50.54 H new ATOM 0 HA CYS A 22 13.175 -11.511 -12.129 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.518 -10.271 -10.222 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.925 -10.950 -11.015 1.00 74.43 H new ATOM 331 N SER A 23 14.325 -12.989 -13.731 1.00 64.24 N ATOM 332 CA SER A 23 14.996 -13.816 -14.726 1.00 31.22 C ATOM 333 C SER A 23 15.460 -12.974 -15.910 1.00 73.33 C ATOM 334 O SER A 23 14.646 -12.456 -16.675 1.00 61.23 O ATOM 335 CB SER A 23 14.062 -14.927 -15.211 1.00 40.14 C ATOM 336 OG SER A 23 14.351 -16.155 -14.565 1.00 31.01 O ATOM 0 H SER A 23 13.412 -12.639 -14.020 1.00 64.24 H new ATOM 0 HA SER A 23 15.871 -14.265 -14.257 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.027 -14.646 -15.018 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.164 -15.047 -16.290 1.00 40.14 H new ATOM 0 HG SER A 23 14.283 -16.889 -15.211 1.00 31.01 H new ATOM 342 N SER A 24 16.775 -12.841 -16.055 1.00 1.30 N ATOM 343 CA SER A 24 17.349 -12.058 -17.143 1.00 51.40 C ATOM 344 C SER A 24 17.080 -12.722 -18.490 1.00 24.35 C ATOM 345 O SER A 24 17.243 -12.104 -19.542 1.00 53.40 O ATOM 346 CB SER A 24 18.855 -11.887 -16.937 1.00 44.52 C ATOM 347 OG SER A 24 19.139 -11.399 -15.638 1.00 33.02 O ATOM 0 H SER A 24 17.463 -13.265 -15.433 1.00 1.30 H new ATOM 0 HA SER A 24 16.876 -11.076 -17.141 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.357 -12.843 -17.088 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.251 -11.198 -17.683 1.00 44.52 H new ATOM 0 HG SER A 24 20.108 -11.300 -15.530 1.00 33.02 H new ATOM 353 N ARG A 25 16.669 -13.986 -18.449 1.00 75.21 N ATOM 354 CA ARG A 25 16.379 -14.735 -19.665 1.00 43.25 C ATOM 355 C ARG A 25 15.115 -14.210 -20.339 1.00 61.22 C ATOM 356 O ARG A 25 15.093 -13.986 -21.549 1.00 1.33 O ATOM 357 CB ARG A 25 16.220 -16.223 -19.347 1.00 4.34 C ATOM 358 CG ARG A 25 15.521 -17.009 -20.444 1.00 65.22 C ATOM 359 CD ARG A 25 15.761 -18.504 -20.298 1.00 1.10 C ATOM 360 NE ARG A 25 15.158 -19.264 -21.388 1.00 14.51 N ATOM 361 CZ ARG A 25 15.007 -20.584 -21.369 1.00 61.34 C ATOM 362 NH1 ARG A 25 15.412 -21.285 -20.320 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 14.449 -21.204 -22.401 1.00 71.15 N ATOM 0 H ARG A 25 16.530 -14.512 -17.586 1.00 75.21 H new ATOM 0 HA ARG A 25 17.216 -14.604 -20.351 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.205 -16.656 -19.173 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.657 -16.330 -18.420 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.450 -16.807 -20.412 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.880 -16.675 -21.418 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.833 -18.698 -20.271 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.351 -18.846 -19.348 1.00 1.10 H new ATOM 0 HE ARG A 25 14.835 -18.754 -22.210 1.00 14.51 H new ATOM 0 HH11 ARG A 25 15.841 -20.811 -19.525 1.00 4.04 H new ATOM 0 HH12 ARG A 25 15.295 -22.298 -20.308 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.136 -20.667 -23.210 1.00 71.15 H new ATOM 0 HH22 ARG A 25 14.334 -22.217 -22.386 1.00 71.15 H new ATOM 377 N TRP A 26 14.067 -14.017 -19.548 1.00 21.33 N ATOM 378 CA TRP A 26 12.798 -13.519 -20.069 1.00 11.24 C ATOM 379 C TRP A 26 12.695 -12.008 -19.896 1.00 12.14 C ATOM 380 O TRP A 26 11.741 -11.384 -20.360 1.00 65.35 O ATOM 381 CB TRP A 26 11.628 -14.206 -19.364 1.00 62.44 C ATOM 382 CG TRP A 26 11.836 -15.677 -19.164 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.281 -16.296 -18.031 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.610 -16.713 -20.126 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.344 -17.654 -18.230 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.937 -17.936 -19.507 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.161 -16.727 -21.449 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.831 -19.156 -20.168 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.056 -17.940 -22.104 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.389 -19.141 -21.463 1.00 42.31 C ATOM 0 H TRP A 26 14.070 -14.197 -18.544 1.00 21.33 H new ATOM 0 HA TRP A 26 12.756 -13.748 -21.134 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.469 -13.734 -18.395 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.720 -14.051 -19.947 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.545 -15.792 -17.113 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.645 -18.341 -17.539 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.901 -15.807 -21.951 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.089 -20.082 -19.676 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.711 -17.962 -23.127 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.295 -20.073 -22.001 1.00 42.31 H new ATOM 401 N LYS A 27 13.683 -11.424 -19.226 1.00 43.14 N ATOM 402 CA LYS A 27 13.704 -9.985 -18.993 1.00 71.25 C ATOM 403 C LYS A 27 12.612 -9.577 -18.008 1.00 75.02 C ATOM 404 O LYS A 27 12.154 -8.434 -18.014 1.00 43.34 O ATOM 405 CB LYS A 27 13.524 -9.231 -20.312 1.00 41.51 C ATOM 406 CG LYS A 27 14.343 -9.804 -21.457 1.00 33.01 C ATOM 407 CD LYS A 27 15.831 -9.754 -21.157 1.00 24.01 C ATOM 408 CE LYS A 27 16.357 -8.327 -21.175 1.00 21.54 C ATOM 409 NZ LYS A 27 17.794 -8.270 -21.560 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.480 -11.926 -18.835 1.00 43.14 H new ATOM 0 HA LYS A 27 14.672 -9.726 -18.563 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.470 -9.245 -20.588 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.801 -8.187 -20.165 1.00 41.51 H new ATOM 0 HG2 LYS A 27 14.042 -10.836 -21.640 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.136 -9.245 -22.369 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.021 -10.200 -20.181 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.371 -10.351 -21.892 1.00 24.01 H new ATOM 0 HE2 LYS A 27 15.770 -7.732 -21.875 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.227 -7.880 -20.190 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.114 -7.281 -21.560 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.358 -8.816 -20.878 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.915 -8.673 -22.511 1.00 72.21 H new ATOM 423 N TRP A 28 12.202 -10.517 -17.165 1.00 25.15 N ATOM 424 CA TRP A 28 11.165 -10.254 -16.174 1.00 74.44 C ATOM 425 C TRP A 28 11.129 -11.353 -15.117 1.00 44.12 C ATOM 426 O TRP A 28 11.764 -12.396 -15.272 1.00 32.41 O ATOM 427 CB TRP A 28 9.799 -10.137 -16.852 1.00 20.43 C ATOM 428 CG TRP A 28 9.398 -11.375 -17.596 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.300 -12.639 -17.091 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.044 -11.466 -18.981 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.907 -13.511 -18.078 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.742 -12.816 -19.246 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.951 -10.538 -20.022 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.355 -13.258 -20.508 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.567 -10.978 -21.274 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.272 -12.328 -21.509 1.00 71.13 C ATOM 0 H TRP A 28 12.571 -11.468 -17.147 1.00 25.15 H new ATOM 0 HA TRP A 28 11.400 -9.310 -15.682 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.045 -9.915 -16.097 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.816 -9.295 -17.544 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.502 -12.914 -16.066 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.762 -14.514 -17.960 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.175 -9.496 -19.851 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.128 -14.298 -20.691 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.493 -10.270 -22.086 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.973 -12.640 -22.499 1.00 71.13 H new ATOM 447 N CYS A 29 10.382 -11.113 -14.045 1.00 34.14 N ATOM 448 CA CYS A 29 10.263 -12.083 -12.963 1.00 4.32 C ATOM 449 C CYS A 29 9.456 -13.299 -13.408 1.00 65.42 C ATOM 450 O CYS A 29 8.430 -13.166 -14.076 1.00 54.55 O ATOM 451 CB CYS A 29 9.604 -11.439 -11.742 1.00 2.32 C ATOM 452 SG CYS A 29 10.784 -10.809 -10.506 1.00 13.01 S ATOM 0 H CYS A 29 9.850 -10.255 -13.902 1.00 34.14 H new ATOM 0 HA CYS A 29 11.266 -12.414 -12.694 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.970 -10.617 -12.076 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.952 -12.171 -11.266 1.00 2.32 H new ATOM 457 N VAL A 30 9.927 -14.485 -13.034 1.00 54.32 N ATOM 458 CA VAL A 30 9.248 -15.724 -13.393 1.00 70.23 C ATOM 459 C VAL A 30 8.963 -16.572 -12.158 1.00 25.44 C ATOM 460 O VAL A 30 9.661 -16.471 -11.148 1.00 2.32 O ATOM 461 CB VAL A 30 10.082 -16.552 -14.389 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.066 -15.905 -15.766 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.508 -16.715 -13.883 1.00 33.45 C ATOM 0 H VAL A 30 10.776 -14.613 -12.483 1.00 54.32 H new ATOM 0 HA VAL A 30 8.306 -15.444 -13.864 1.00 70.23 H new ATOM 0 HB VAL A 30 9.636 -17.543 -14.475 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.660 -16.504 -16.456 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.040 -15.846 -16.128 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.487 -14.902 -15.701 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.083 -17.302 -14.599 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.967 -15.733 -13.767 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.496 -17.226 -12.920 1.00 33.45 H new ATOM 473 N LEU A 31 7.933 -17.407 -12.246 1.00 4.15 N ATOM 474 CA LEU A 31 7.555 -18.274 -11.135 1.00 75.23 C ATOM 475 C LEU A 31 8.737 -19.125 -10.682 1.00 50.02 C ATOM 476 O LEU A 31 9.207 -19.993 -11.416 1.00 22.54 O ATOM 477 CB LEU A 31 6.389 -19.177 -11.542 1.00 61.45 C ATOM 478 CG LEU A 31 5.011 -18.772 -11.015 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.007 -18.751 -9.494 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.606 -17.414 -11.569 1.00 41.33 C ATOM 0 H LEU A 31 7.345 -17.502 -13.074 1.00 4.15 H new ATOM 0 HA LEU A 31 7.245 -17.643 -10.302 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.344 -19.210 -12.631 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.603 -20.190 -11.201 1.00 61.45 H new ATOM 0 HG LEU A 31 4.283 -19.511 -11.351 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.019 -18.461 -9.137 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.253 -19.743 -9.116 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.747 -18.034 -9.138 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.623 -17.142 -11.184 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.336 -16.664 -11.264 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.568 -17.462 -12.657 1.00 41.33 H new ATOM 492 N ALA A 32 9.210 -18.870 -9.466 1.00 4.33 N ATOM 493 CA ALA A 32 10.335 -19.616 -8.913 1.00 15.15 C ATOM 494 C ALA A 32 10.081 -21.118 -8.975 1.00 55.54 C ATOM 495 O ALA A 32 8.932 -21.563 -8.994 1.00 73.11 O ATOM 496 CB ALA A 32 10.601 -19.182 -7.479 1.00 71.52 C ATOM 0 H ALA A 32 8.832 -18.154 -8.846 1.00 4.33 H new ATOM 0 HA ALA A 32 11.216 -19.398 -9.517 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.443 -19.746 -7.078 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.835 -18.118 -7.458 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.716 -19.371 -6.872 1.00 71.52 H new ATOM 502 N SER A 33 11.158 -21.895 -9.007 1.00 5.52 N ATOM 503 CA SER A 33 11.052 -23.348 -9.071 1.00 3.12 C ATOM 504 C SER A 33 11.125 -23.960 -7.676 1.00 20.44 C ATOM 505 O SER A 33 11.598 -23.341 -6.723 1.00 14.20 O ATOM 506 CB SER A 33 12.163 -23.923 -9.952 1.00 12.34 C ATOM 507 OG SER A 33 11.747 -24.013 -11.304 1.00 42.23 O ATOM 0 H SER A 33 12.115 -21.543 -8.990 1.00 5.52 H new ATOM 0 HA SER A 33 10.085 -23.598 -9.508 1.00 3.12 H new ATOM 0 HB2 SER A 33 13.050 -23.293 -9.882 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.445 -24.911 -9.588 1.00 12.34 H new ATOM 0 HG SER A 33 12.475 -24.382 -11.846 1.00 42.23 H new ATOM 513 N PRO A 34 10.645 -25.207 -7.552 1.00 13.32 N ATOM 514 CA PRO A 34 10.645 -25.932 -6.278 1.00 50.50 C ATOM 515 C PRO A 34 12.050 -26.324 -5.833 1.00 43.10 C ATOM 516 O PRO A 34 12.317 -26.466 -4.640 1.00 12.32 O ATOM 517 CB PRO A 34 9.812 -27.180 -6.580 1.00 41.21 C ATOM 518 CG PRO A 34 9.949 -27.380 -8.050 1.00 4.12 C ATOM 519 CD PRO A 34 10.066 -26.004 -8.646 1.00 51.01 C ATOM 0 HA PRO A 34 10.249 -25.325 -5.464 1.00 50.50 H new ATOM 0 HB2 PRO A 34 10.179 -28.044 -6.027 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.769 -27.039 -6.295 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.828 -27.982 -8.282 1.00 4.12 H new ATOM 0 HG3 PRO A 34 9.085 -27.908 -8.454 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.707 -26.001 -9.528 1.00 51.01 H new ATOM 0 HD3 PRO A 34 9.096 -25.616 -8.956 1.00 51.01 H new ATOM 527 N PHE A 35 12.945 -26.495 -6.801 1.00 64.13 N ATOM 528 CA PHE A 35 14.323 -26.871 -6.508 1.00 72.03 C ATOM 529 C PHE A 35 15.296 -26.110 -7.404 1.00 44.31 C ATOM 530 O PHE A 35 15.013 -25.862 -8.576 1.00 62.35 O ATOM 531 CB PHE A 35 14.514 -28.377 -6.694 1.00 53.23 C ATOM 532 CG PHE A 35 15.901 -28.851 -6.369 1.00 63.23 C ATOM 533 CD1 PHE A 35 16.536 -28.436 -5.209 1.00 5.32 C ATOM 534 CD2 PHE A 35 16.572 -29.710 -7.224 1.00 33.02 C ATOM 535 CE1 PHE A 35 17.813 -28.870 -4.909 1.00 42.13 C ATOM 536 CE2 PHE A 35 17.850 -30.147 -6.929 1.00 33.23 C ATOM 537 CZ PHE A 35 18.470 -29.728 -5.769 1.00 1.41 C ATOM 0 H PHE A 35 12.741 -26.379 -7.794 1.00 64.13 H new ATOM 0 HA PHE A 35 14.531 -26.611 -5.470 1.00 72.03 H new ATOM 0 HB2 PHE A 35 13.801 -28.906 -6.062 1.00 53.23 H new ATOM 0 HB3 PHE A 35 14.282 -28.640 -7.726 1.00 53.23 H new ATOM 0 HD1 PHE A 35 16.027 -27.766 -4.532 1.00 5.32 H new ATOM 0 HD2 PHE A 35 16.091 -30.042 -8.132 1.00 33.02 H new ATOM 0 HE1 PHE A 35 18.297 -28.538 -4.002 1.00 42.13 H new ATOM 0 HE2 PHE A 35 18.363 -30.815 -7.605 1.00 33.23 H new ATOM 0 HZ PHE A 35 19.467 -30.071 -5.534 1.00 1.41 H new TER 547 PHE A 35