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+ -113:sc= 0.0801 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 177:sc= 0 (180deg=-0.00946) 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= -0.73 X(o=-0.73,f=-0.68) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= -0.157 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 1.329 0.000 0.000 1.00 52.43 N ATOM 2 CA SER A 1 2.094 0.002 -1.242 1.00 24.24 C ATOM 3 C SER A 1 1.902 -1.309 -1.999 1.00 44.41 C ATOM 4 O SER A 1 1.440 -2.301 -1.437 1.00 73.41 O ATOM 5 CB SER A 1 3.579 0.224 -0.951 1.00 3.13 C ATOM 6 OG SER A 1 4.239 -1.005 -0.699 1.00 33.44 O ATOM 0 H1 SER A 1 0.568 0.706 -0.060 1.00 52.43 H new ATOM 0 H2 SER A 1 0.916 -0.942 0.152 1.00 52.43 H new ATOM 0 H3 SER A 1 1.957 0.235 0.795 1.00 52.43 H new ATOM 0 HA SER A 1 1.728 0.818 -1.865 1.00 24.24 H new ATOM 0 HB2 SER A 1 4.048 0.725 -1.798 1.00 3.13 H new ATOM 0 HB3 SER A 1 3.689 0.883 -0.090 1.00 3.13 H new ATOM 0 HG SER A 1 5.187 -0.836 -0.517 1.00 33.44 H new ATOM 12 N GLU A 2 2.262 -1.303 -3.279 1.00 41.25 N ATOM 13 CA GLU A 2 2.129 -2.491 -4.114 1.00 73.01 C ATOM 14 C GLU A 2 3.488 -3.141 -4.355 1.00 11.12 C ATOM 15 O GLU A 2 4.525 -2.604 -3.963 1.00 60.40 O ATOM 16 CB GLU A 2 1.479 -2.131 -5.452 1.00 23.35 C ATOM 17 CG GLU A 2 0.484 -3.168 -5.944 1.00 11.21 C ATOM 18 CD GLU A 2 -0.628 -2.560 -6.776 1.00 4.33 C ATOM 19 OE1 GLU A 2 -1.153 -1.498 -6.382 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 -0.974 -3.147 -7.823 1.00 33.02 O ATOM 0 H GLU A 2 2.647 -0.490 -3.759 1.00 41.25 H new ATOM 0 HA GLU A 2 1.493 -3.203 -3.589 1.00 73.01 H new ATOM 0 HB2 GLU A 2 0.972 -1.171 -5.353 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.259 -2.003 -6.203 1.00 23.35 H new ATOM 0 HG2 GLU A 2 1.009 -3.917 -6.537 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.051 -3.686 -5.088 1.00 11.21 H new ATOM 27 N CYS A 3 3.476 -4.301 -5.003 1.00 42.14 N ATOM 28 CA CYS A 3 4.706 -5.027 -5.296 1.00 42.15 C ATOM 29 C CYS A 3 4.751 -5.451 -6.762 1.00 30.34 C ATOM 30 O CYS A 3 3.857 -5.124 -7.541 1.00 64.22 O ATOM 31 CB CYS A 3 4.824 -6.258 -4.395 1.00 34.30 C ATOM 32 SG CYS A 3 3.300 -7.251 -4.289 1.00 72.02 S ATOM 0 H CYS A 3 2.627 -4.759 -5.335 1.00 42.14 H new ATOM 0 HA CYS A 3 5.546 -4.361 -5.102 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.632 -6.890 -4.765 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.105 -5.936 -3.392 1.00 34.30 H new ATOM 37 N GLY A 4 5.801 -6.180 -7.129 1.00 4.44 N ATOM 38 CA GLY A 4 5.944 -6.637 -8.499 1.00 13.42 C ATOM 39 C GLY A 4 4.852 -7.606 -8.904 1.00 43.02 C ATOM 40 O GLY A 4 3.758 -7.594 -8.339 1.00 51.20 O ATOM 0 H GLY A 4 6.555 -6.462 -6.502 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.929 -5.777 -9.169 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.915 -7.118 -8.619 1.00 13.42 H new ATOM 44 N LYS A 5 5.146 -8.449 -9.888 1.00 14.14 N ATOM 45 CA LYS A 5 4.182 -9.431 -10.370 1.00 71.53 C ATOM 46 C LYS A 5 4.841 -10.416 -11.329 1.00 3.13 C ATOM 47 O LYS A 5 5.997 -10.243 -11.716 1.00 70.30 O ATOM 48 CB LYS A 5 3.014 -8.729 -11.067 1.00 45.22 C ATOM 49 CG LYS A 5 1.651 -9.161 -10.554 1.00 15.10 C ATOM 50 CD LYS A 5 0.585 -9.037 -11.630 1.00 72.00 C ATOM 51 CE LYS A 5 -0.461 -7.996 -11.262 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.596 -7.986 -12.225 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.046 -8.472 -10.368 1.00 14.14 H new ATOM 0 HA LYS A 5 3.805 -9.985 -9.510 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.118 -7.652 -10.935 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.069 -8.926 -12.138 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.702 -10.193 -10.208 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.374 -8.550 -9.695 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.052 -8.766 -12.577 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.102 -10.003 -11.778 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.837 -8.198 -10.259 1.00 3.34 H new ATOM 0 HE3 LYS A 5 0.002 -7.010 -11.236 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.287 -7.263 -11.939 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.241 -7.768 -13.178 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.054 -8.920 -12.231 1.00 33.12 H new ATOM 66 N PHE A 6 4.099 -11.450 -11.711 1.00 1.44 N ATOM 67 CA PHE A 6 4.612 -12.464 -12.626 1.00 43.32 C ATOM 68 C PHE A 6 4.670 -11.928 -14.054 1.00 62.05 C ATOM 69 O PHE A 6 3.795 -11.176 -14.482 1.00 70.24 O ATOM 70 CB PHE A 6 3.737 -13.718 -12.575 1.00 24.12 C ATOM 71 CG PHE A 6 4.080 -14.732 -13.628 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.379 -15.194 -13.766 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.104 -15.223 -14.480 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.699 -16.127 -14.734 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.418 -16.157 -15.450 1.00 72.54 C ATOM 76 CZ PHE A 6 4.717 -16.609 -15.578 1.00 32.12 C ATOM 0 H PHE A 6 3.140 -11.608 -11.401 1.00 1.44 H new ATOM 0 HA PHE A 6 5.623 -12.723 -12.312 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.834 -14.179 -11.592 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.693 -13.427 -12.688 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.151 -14.820 -13.109 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.087 -14.872 -14.385 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.715 -16.479 -14.831 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.648 -16.533 -16.107 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.964 -17.337 -16.336 1.00 32.12 H new ATOM 86 N MET A 7 5.708 -12.321 -14.785 1.00 43.35 N ATOM 87 CA MET A 7 5.880 -11.881 -16.165 1.00 21.13 C ATOM 88 C MET A 7 6.038 -10.366 -16.237 1.00 62.32 C ATOM 89 O MET A 7 5.816 -9.759 -17.285 1.00 44.50 O ATOM 90 CB MET A 7 4.687 -12.323 -17.016 1.00 61.22 C ATOM 91 CG MET A 7 4.958 -13.570 -17.840 1.00 50.33 C ATOM 92 SD MET A 7 3.728 -13.829 -19.133 1.00 74.33 S ATOM 93 CE MET A 7 4.735 -14.570 -20.416 1.00 44.25 C ATOM 0 H MET A 7 6.442 -12.943 -14.445 1.00 43.35 H new ATOM 0 HA MET A 7 6.787 -12.342 -16.557 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.834 -12.507 -16.363 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.407 -11.509 -17.685 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.946 -13.493 -18.294 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.976 -14.439 -17.182 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.105 -14.837 -21.264 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.495 -13.858 -20.739 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.219 -15.466 -20.027 1.00 44.25 H new ATOM 103 N TRP A 8 6.421 -9.762 -15.118 1.00 34.43 N ATOM 104 CA TRP A 8 6.608 -8.317 -15.055 1.00 22.41 C ATOM 105 C TRP A 8 8.090 -7.961 -15.017 1.00 34.33 C ATOM 106 O TRP A 8 8.846 -8.492 -14.203 1.00 51.25 O ATOM 107 CB TRP A 8 5.901 -7.743 -13.826 1.00 44.33 C ATOM 108 CG TRP A 8 4.423 -7.576 -14.014 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.614 -8.309 -14.834 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.581 -6.615 -13.369 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.318 -7.860 -14.739 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.272 -6.822 -13.846 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.804 -5.600 -12.435 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.194 -6.051 -13.420 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.733 -4.836 -12.013 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.441 -5.065 -12.504 1.00 23.11 C ATOM 0 H TRP A 8 6.608 -10.250 -14.242 1.00 34.43 H new ATOM 0 HA TRP A 8 6.172 -7.880 -15.953 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.080 -8.399 -12.974 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.340 -6.776 -13.582 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.944 -9.122 -15.464 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.520 -8.238 -15.250 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.796 -5.416 -12.050 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.198 -6.225 -13.799 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.895 -4.048 -11.292 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.624 -4.452 -12.153 1.00 23.11 H new ATOM 127 N LYS A 9 8.500 -7.058 -15.901 1.00 21.41 N ATOM 128 CA LYS A 9 9.892 -6.629 -15.968 1.00 71.24 C ATOM 129 C LYS A 9 10.404 -6.227 -14.589 1.00 45.12 C ATOM 130 O LYS A 9 9.642 -5.752 -13.747 1.00 22.42 O ATOM 131 CB LYS A 9 10.039 -5.457 -16.941 1.00 71.41 C ATOM 132 CG LYS A 9 9.969 -5.866 -18.402 1.00 42.53 C ATOM 133 CD LYS A 9 8.535 -5.901 -18.903 1.00 21.25 C ATOM 134 CE LYS A 9 8.477 -5.980 -20.421 1.00 65.14 C ATOM 135 NZ LYS A 9 7.075 -6.050 -20.919 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.887 -6.609 -16.582 1.00 21.41 H new ATOM 0 HA LYS A 9 10.488 -7.468 -16.327 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.255 -4.727 -16.739 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.992 -4.960 -16.757 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.549 -5.167 -19.005 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.423 -6.849 -18.528 1.00 42.53 H new ATOM 0 HD2 LYS A 9 8.019 -6.759 -18.473 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.008 -5.009 -18.564 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.972 -5.108 -20.849 1.00 65.14 H new ATOM 0 HE3 LYS A 9 9.027 -6.857 -20.760 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 7.078 -6.103 -21.958 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.610 -6.896 -20.531 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.556 -5.201 -20.617 1.00 63.20 H new ATOM 149 N CYS A 10 11.700 -6.418 -14.365 1.00 44.41 N ATOM 150 CA CYS A 10 12.315 -6.075 -13.089 1.00 52.21 C ATOM 151 C CYS A 10 13.813 -5.837 -13.254 1.00 12.32 C ATOM 152 O CYS A 10 14.483 -6.531 -14.018 1.00 13.12 O ATOM 153 CB CYS A 10 12.073 -7.187 -12.067 1.00 5.43 C ATOM 154 SG CYS A 10 12.971 -8.732 -12.422 1.00 71.00 S ATOM 0 H CYS A 10 12.345 -6.809 -15.052 1.00 44.41 H new ATOM 0 HA CYS A 10 11.856 -5.154 -12.729 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.365 -6.828 -11.080 1.00 5.43 H new ATOM 0 HB3 CYS A 10 11.005 -7.401 -12.025 1.00 5.43 H new ATOM 159 N LYS A 11 14.333 -4.850 -12.531 1.00 64.42 N ATOM 160 CA LYS A 11 15.752 -4.520 -12.594 1.00 41.35 C ATOM 161 C LYS A 11 16.548 -5.349 -11.591 1.00 30.14 C ATOM 162 O LYS A 11 17.777 -5.387 -11.640 1.00 31.31 O ATOM 163 CB LYS A 11 15.962 -3.029 -12.321 1.00 1.10 C ATOM 164 CG LYS A 11 15.426 -2.128 -13.420 1.00 23.24 C ATOM 165 CD LYS A 11 15.374 -0.676 -12.974 1.00 22.43 C ATOM 166 CE LYS A 11 14.082 -0.366 -12.234 1.00 23.11 C ATOM 167 NZ LYS A 11 14.045 1.041 -11.748 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.792 -4.265 -11.894 1.00 64.42 H new ATOM 0 HA LYS A 11 16.110 -4.753 -13.597 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.477 -2.769 -11.380 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.028 -2.838 -12.194 1.00 1.10 H new ATOM 0 HG2 LYS A 11 16.057 -2.216 -14.304 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.428 -2.457 -13.707 1.00 23.24 H new ATOM 0 HD2 LYS A 11 16.225 -0.462 -12.327 1.00 22.43 H new ATOM 0 HD3 LYS A 11 15.462 -0.024 -13.843 1.00 22.43 H new ATOM 0 HE2 LYS A 11 13.233 -0.544 -12.894 1.00 23.11 H new ATOM 0 HE3 LYS A 11 13.976 -1.045 -11.388 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 13.149 1.213 -11.249 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 14.840 1.205 -11.098 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 14.120 1.690 -12.557 1.00 11.12 H new ATOM 181 N ASN A 12 15.840 -6.013 -10.683 1.00 51.45 N ATOM 182 CA ASN A 12 16.481 -6.842 -9.670 1.00 3.12 C ATOM 183 C ASN A 12 15.481 -7.810 -9.046 1.00 14.41 C ATOM 184 O ASN A 12 14.304 -7.821 -9.406 1.00 45.02 O ATOM 185 CB ASN A 12 17.104 -5.964 -8.582 1.00 2.42 C ATOM 186 CG ASN A 12 18.537 -5.582 -8.898 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.432 -6.427 -8.894 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.761 -4.302 -9.174 1.00 73.25 N ATOM 0 H ASN A 12 14.822 -5.993 -10.628 1.00 51.45 H new ATOM 0 HA ASN A 12 17.267 -7.421 -10.155 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.507 -5.059 -8.463 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.073 -6.494 -7.630 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.705 -3.985 -9.394 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.989 -3.636 -9.166 1.00 73.25 H new ATOM 195 N SER A 13 15.958 -8.623 -8.109 1.00 15.42 N ATOM 196 CA SER A 13 15.107 -9.598 -7.437 1.00 2.01 C ATOM 197 C SER A 13 14.249 -8.925 -6.370 1.00 64.12 C ATOM 198 O SER A 13 13.345 -9.541 -5.806 1.00 55.22 O ATOM 199 CB SER A 13 15.959 -10.699 -6.802 1.00 4.24 C ATOM 200 OG SER A 13 16.267 -10.393 -5.453 1.00 14.12 O ATOM 0 H SER A 13 16.929 -8.626 -7.798 1.00 15.42 H new ATOM 0 HA SER A 13 14.448 -10.043 -8.182 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.426 -11.649 -6.850 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.881 -10.822 -7.370 1.00 4.24 H new ATOM 0 HG SER A 13 16.810 -11.113 -5.070 1.00 14.12 H new ATOM 206 N ASN A 14 14.539 -7.657 -6.098 1.00 2.51 N ATOM 207 CA ASN A 14 13.795 -6.900 -5.098 1.00 2.11 C ATOM 208 C ASN A 14 12.402 -6.545 -5.610 1.00 40.21 C ATOM 209 O ASN A 14 11.466 -6.381 -4.828 1.00 72.22 O ATOM 210 CB ASN A 14 14.554 -5.624 -4.726 1.00 71.03 C ATOM 211 CG ASN A 14 15.578 -5.859 -3.632 1.00 13.31 C ATOM 212 OD1 ASN A 14 15.455 -6.795 -2.842 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.596 -5.007 -3.582 1.00 13.12 N ATOM 0 H ASN A 14 15.284 -7.132 -6.556 1.00 2.51 H new ATOM 0 HA ASN A 14 13.689 -7.524 -4.211 1.00 2.11 H new ATOM 0 HB2 ASN A 14 15.055 -5.231 -5.611 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.844 -4.865 -4.398 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.316 -5.114 -2.868 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.657 -4.245 -4.258 1.00 13.12 H new ATOM 220 N ASP A 15 12.274 -6.429 -6.927 1.00 65.41 N ATOM 221 CA ASP A 15 10.995 -6.096 -7.544 1.00 74.11 C ATOM 222 C ASP A 15 9.988 -7.226 -7.352 1.00 3.03 C ATOM 223 O ASP A 15 8.780 -6.994 -7.303 1.00 52.11 O ATOM 224 CB ASP A 15 11.183 -5.812 -9.035 1.00 34.42 C ATOM 225 CG ASP A 15 10.234 -4.745 -9.545 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.011 -4.994 -9.553 1.00 11.11 O1- ATOM 227 OD2 ASP A 15 10.715 -3.661 -9.937 1.00 30.12 O ATOM 0 H ASP A 15 13.040 -6.561 -7.588 1.00 65.41 H new ATOM 0 HA ASP A 15 10.607 -5.201 -7.057 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.211 -5.496 -9.215 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.028 -6.732 -9.599 1.00 34.42 H new ATOM 232 N CYS A 16 10.494 -8.450 -7.246 1.00 23.35 N ATOM 233 CA CYS A 16 9.640 -9.617 -7.061 1.00 33.41 C ATOM 234 C CYS A 16 8.847 -9.511 -5.762 1.00 13.44 C ATOM 235 O CYS A 16 9.415 -9.297 -4.690 1.00 13.33 O ATOM 236 CB CYS A 16 10.481 -10.895 -7.054 1.00 65.34 C ATOM 237 SG CYS A 16 11.262 -11.280 -8.655 1.00 62.13 S ATOM 0 H CYS A 16 11.491 -8.659 -7.285 1.00 23.35 H new ATOM 0 HA CYS A 16 8.937 -9.657 -7.893 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.258 -10.801 -6.296 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.848 -11.732 -6.760 1.00 65.34 H new ATOM 242 N CYS A 17 7.531 -9.662 -5.864 1.00 51.51 N ATOM 243 CA CYS A 17 6.658 -9.583 -4.699 1.00 14.30 C ATOM 244 C CYS A 17 6.807 -10.823 -3.823 1.00 34.03 C ATOM 245 O CYS A 17 7.298 -10.747 -2.697 1.00 53.55 O ATOM 246 CB CYS A 17 5.201 -9.426 -5.137 1.00 32.13 C ATOM 247 SG CYS A 17 4.058 -9.008 -3.782 1.00 71.00 S ATOM 0 H CYS A 17 7.045 -9.840 -6.743 1.00 51.51 H new ATOM 0 HA CYS A 17 6.950 -8.710 -4.115 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.144 -8.649 -5.899 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.871 -10.354 -5.603 1.00 32.13 H new ATOM 252 N LYS A 18 6.379 -11.966 -4.349 1.00 2.41 N ATOM 253 CA LYS A 18 6.465 -13.225 -3.617 1.00 32.05 C ATOM 254 C LYS A 18 6.401 -14.414 -4.570 1.00 15.02 C ATOM 255 O LYS A 18 5.600 -14.429 -5.505 1.00 34.32 O ATOM 256 CB LYS A 18 5.334 -13.320 -2.590 1.00 73.25 C ATOM 257 CG LYS A 18 5.735 -14.027 -1.307 1.00 5.22 C ATOM 258 CD LYS A 18 6.690 -13.183 -0.480 1.00 54.05 C ATOM 259 CE LYS A 18 5.942 -12.297 0.503 1.00 51.15 C ATOM 260 NZ LYS A 18 6.840 -11.294 1.141 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.969 -12.047 -5.280 1.00 2.41 H new ATOM 0 HA LYS A 18 7.423 -13.249 -3.097 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.989 -12.315 -2.348 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.492 -13.847 -3.038 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.844 -14.251 -0.720 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.206 -14.980 -1.548 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.375 -13.834 0.064 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.296 -12.564 -1.141 1.00 54.05 H new ATOM 0 HE2 LYS A 18 5.133 -11.782 -0.015 1.00 51.15 H new ATOM 0 HE3 LYS A 18 5.484 -12.916 1.274 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.292 -10.710 1.804 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 7.598 -11.785 1.657 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 7.258 -10.686 0.408 1.00 61.42 H new ATOM 274 N ASP A 19 7.248 -15.408 -4.327 1.00 60.05 N ATOM 275 CA ASP A 19 7.286 -16.602 -5.162 1.00 34.00 C ATOM 276 C ASP A 19 7.744 -16.261 -6.577 1.00 62.31 C ATOM 277 O ASP A 19 7.504 -17.019 -7.518 1.00 74.31 O ATOM 278 CB ASP A 19 5.908 -17.265 -5.204 1.00 44.15 C ATOM 279 CG ASP A 19 5.265 -17.351 -3.834 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.009 -17.392 -2.831 1.00 31.11 O ATOM 281 OD2 ASP A 19 4.019 -17.377 -3.765 1.00 21.34 O1- ATOM 0 H ASP A 19 7.918 -15.410 -3.558 1.00 60.05 H new ATOM 0 HA ASP A 19 8.002 -17.298 -4.726 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.257 -16.702 -5.873 1.00 44.15 H new ATOM 0 HB3 ASP A 19 6.003 -18.268 -5.621 1.00 44.15 H new ATOM 286 N LEU A 20 8.403 -15.117 -6.721 1.00 15.45 N ATOM 287 CA LEU A 20 8.893 -14.674 -8.021 1.00 3.34 C ATOM 288 C LEU A 20 10.402 -14.453 -7.987 1.00 15.22 C ATOM 289 O LEU A 20 10.976 -14.175 -6.934 1.00 54.12 O ATOM 290 CB LEU A 20 8.186 -13.385 -8.444 1.00 32.33 C ATOM 291 CG LEU A 20 6.911 -13.559 -9.269 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.124 -14.767 -8.787 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.057 -12.302 -9.201 1.00 74.21 C ATOM 0 H LEU A 20 8.610 -14.479 -5.953 1.00 15.45 H new ATOM 0 HA LEU A 20 8.675 -15.455 -8.749 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.939 -12.818 -7.546 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.888 -12.781 -9.020 1.00 32.33 H new ATOM 0 HG LEU A 20 7.193 -13.727 -10.308 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.220 -14.875 -9.386 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.735 -15.664 -8.888 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.852 -14.630 -7.741 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.153 -12.444 -9.794 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.784 -12.103 -8.165 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.621 -11.457 -9.596 1.00 74.21 H new ATOM 305 N VAL A 21 11.040 -14.576 -9.147 1.00 12.02 N ATOM 306 CA VAL A 21 12.481 -14.385 -9.251 1.00 44.43 C ATOM 307 C VAL A 21 12.850 -13.683 -10.553 1.00 71.53 C ATOM 308 O VAL A 21 12.443 -14.104 -11.636 1.00 64.04 O ATOM 309 CB VAL A 21 13.232 -15.728 -9.175 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.220 -16.267 -7.752 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.622 -16.734 -10.139 1.00 70.34 C ATOM 0 H VAL A 21 10.581 -14.807 -10.028 1.00 12.02 H new ATOM 0 HA VAL A 21 12.779 -13.762 -8.408 1.00 44.43 H new ATOM 0 HB VAL A 21 14.269 -15.562 -9.467 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.755 -17.216 -7.718 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.706 -15.552 -7.088 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.190 -16.419 -7.429 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.165 -17.677 -10.072 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.576 -16.898 -9.880 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.688 -16.349 -11.157 1.00 70.34 H new ATOM 321 N CYS A 22 13.626 -12.610 -10.440 1.00 50.54 N ATOM 322 CA CYS A 22 14.051 -11.847 -11.608 1.00 71.21 C ATOM 323 C CYS A 22 14.875 -12.715 -12.554 1.00 73.43 C ATOM 324 O CYS A 22 15.982 -13.138 -12.220 1.00 44.52 O ATOM 325 CB CYS A 22 14.867 -10.627 -11.176 1.00 74.43 C ATOM 326 SG CYS A 22 14.872 -9.269 -12.390 1.00 14.40 S ATOM 0 H CYS A 22 13.973 -12.249 -9.551 1.00 50.54 H new ATOM 0 HA CYS A 22 13.159 -11.511 -12.136 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.471 -10.254 -10.231 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.895 -10.938 -10.990 1.00 74.43 H new ATOM 331 N SER A 23 14.327 -12.977 -13.736 1.00 64.24 N ATOM 332 CA SER A 23 15.010 -13.798 -14.730 1.00 31.22 C ATOM 333 C SER A 23 15.473 -12.949 -15.910 1.00 73.33 C ATOM 334 O SER A 23 14.659 -12.429 -16.672 1.00 61.23 O ATOM 335 CB SER A 23 14.086 -14.914 -15.222 1.00 40.14 C ATOM 336 OG SER A 23 14.383 -16.142 -14.580 1.00 31.01 O ATOM 0 H SER A 23 13.413 -12.633 -14.029 1.00 64.24 H new ATOM 0 HA SER A 23 15.886 -14.243 -14.258 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.048 -14.642 -15.031 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.192 -15.029 -16.301 1.00 40.14 H new ATOM 0 HG SER A 23 14.169 -16.886 -15.181 1.00 31.01 H new ATOM 342 N SER A 24 16.788 -12.814 -16.053 1.00 1.30 N ATOM 343 CA SER A 24 17.361 -12.025 -17.138 1.00 51.40 C ATOM 344 C SER A 24 17.108 -12.692 -18.487 1.00 24.35 C ATOM 345 O SER A 24 17.301 -12.082 -19.538 1.00 53.40 O ATOM 346 CB SER A 24 18.864 -11.840 -16.922 1.00 44.52 C ATOM 347 OG SER A 24 19.507 -13.085 -16.710 1.00 33.02 O ATOM 0 H SER A 24 17.476 -13.240 -15.432 1.00 1.30 H new ATOM 0 HA SER A 24 16.878 -11.048 -17.139 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.301 -11.345 -17.789 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.034 -11.189 -16.064 1.00 44.52 H new ATOM 0 HG SER A 24 20.467 -12.939 -16.576 1.00 33.02 H new ATOM 353 N ARG A 25 16.675 -13.947 -18.447 1.00 75.21 N ATOM 354 CA ARG A 25 16.396 -14.698 -19.666 1.00 43.25 C ATOM 355 C ARG A 25 15.126 -14.187 -20.340 1.00 61.22 C ATOM 356 O ARG A 25 15.104 -13.959 -21.550 1.00 1.33 O ATOM 357 CB ARG A 25 16.255 -16.188 -19.351 1.00 4.34 C ATOM 358 CG ARG A 25 15.575 -16.982 -20.454 1.00 65.22 C ATOM 359 CD ARG A 25 15.842 -18.473 -20.314 1.00 1.10 C ATOM 360 NE ARG A 25 15.479 -19.210 -21.522 1.00 14.51 N ATOM 361 CZ ARG A 25 15.695 -20.511 -21.681 1.00 61.34 C ATOM 362 NH1 ARG A 25 16.268 -21.214 -20.715 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.336 -21.110 -22.809 1.00 71.15 N ATOM 0 H ARG A 25 16.510 -14.466 -17.585 1.00 75.21 H new ATOM 0 HA ARG A 25 17.232 -14.556 -20.350 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.245 -16.608 -19.170 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.686 -16.303 -18.428 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.501 -16.800 -20.426 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.931 -16.637 -21.425 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.898 -18.633 -20.095 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.278 -18.864 -19.467 1.00 1.10 H new ATOM 0 HE ARG A 25 15.036 -18.698 -22.285 1.00 14.51 H new ATOM 0 HH11 ARG A 25 16.544 -20.756 -19.846 1.00 4.04 H new ATOM 0 HH12 ARG A 25 16.433 -22.213 -20.840 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.894 -20.572 -23.554 1.00 71.15 H new ATOM 0 HH22 ARG A 25 15.502 -22.109 -22.931 1.00 71.15 H new ATOM 377 N TRP A 26 14.073 -14.011 -19.551 1.00 21.33 N ATOM 378 CA TRP A 26 12.800 -13.528 -20.072 1.00 11.24 C ATOM 379 C TRP A 26 12.681 -12.017 -19.905 1.00 12.14 C ATOM 380 O TRP A 26 11.720 -11.404 -20.371 1.00 65.35 O ATOM 381 CB TRP A 26 11.638 -14.225 -19.364 1.00 62.44 C ATOM 382 CG TRP A 26 11.858 -15.694 -19.166 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.315 -16.309 -18.035 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.633 -16.732 -20.126 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.388 -17.667 -18.235 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.974 -17.952 -19.510 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.174 -16.750 -21.446 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.871 -19.173 -20.170 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.073 -17.963 -22.100 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.419 -19.161 -21.461 1.00 42.31 C ATOM 0 H TRP A 26 14.075 -14.196 -18.548 1.00 21.33 H new ATOM 0 HA TRP A 26 12.760 -13.761 -21.136 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.479 -13.755 -18.394 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.727 -14.076 -19.944 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.580 -15.803 -17.119 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.700 -18.352 -17.546 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.903 -15.832 -21.946 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.139 -20.098 -19.680 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.721 -17.988 -23.121 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.327 -20.093 -21.998 1.00 42.31 H new ATOM 401 N LYS A 27 13.662 -11.421 -19.236 1.00 43.14 N ATOM 402 CA LYS A 27 13.669 -9.981 -19.007 1.00 71.25 C ATOM 403 C LYS A 27 12.575 -9.581 -18.022 1.00 75.02 C ATOM 404 O LYS A 27 12.105 -8.444 -18.030 1.00 43.34 O ATOM 405 CB LYS A 27 13.478 -9.233 -20.329 1.00 41.51 C ATOM 406 CG LYS A 27 14.292 -9.808 -21.476 1.00 33.01 C ATOM 407 CD LYS A 27 15.775 -9.832 -21.149 1.00 24.01 C ATOM 408 CE LYS A 27 16.579 -10.495 -22.258 1.00 21.54 C ATOM 409 NZ LYS A 27 16.897 -9.544 -23.358 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.464 -11.914 -18.842 1.00 43.14 H new ATOM 0 HA LYS A 27 14.635 -9.711 -18.579 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.422 -9.252 -20.598 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.752 -8.187 -20.188 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.950 -10.820 -21.695 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.126 -9.214 -22.375 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.132 -8.813 -20.998 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.934 -10.367 -20.213 1.00 24.01 H new ATOM 0 HE2 LYS A 27 17.505 -10.895 -21.845 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.017 -11.339 -22.659 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 17.445 -10.034 -24.093 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 16.013 -9.181 -23.769 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.455 -8.751 -22.981 1.00 72.21 H new ATOM 423 N TRP A 28 12.175 -10.523 -17.176 1.00 25.15 N ATOM 424 CA TRP A 28 11.137 -10.268 -16.183 1.00 74.44 C ATOM 425 C TRP A 28 11.112 -11.366 -15.126 1.00 44.12 C ATOM 426 O TRP A 28 11.751 -12.407 -15.284 1.00 32.41 O ATOM 427 CB TRP A 28 9.770 -10.164 -16.861 1.00 20.43 C ATOM 428 CG TRP A 28 9.378 -11.407 -17.602 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.287 -12.671 -17.092 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.028 -11.504 -18.987 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.901 -13.548 -18.077 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.734 -12.857 -19.248 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.931 -10.580 -20.031 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.353 -13.305 -20.510 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.553 -11.027 -21.282 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.267 -12.379 -21.514 1.00 71.13 C ATOM 0 H TRP A 28 12.553 -11.470 -17.157 1.00 25.15 H new ATOM 0 HA TRP A 28 11.364 -9.322 -15.691 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.014 -9.946 -16.107 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.780 -9.324 -17.555 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.489 -12.941 -16.066 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.761 -14.551 -17.956 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.148 -9.535 -19.863 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.133 -14.347 -20.690 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.476 -10.322 -22.096 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.973 -12.696 -22.504 1.00 71.13 H new ATOM 447 N CYS A 29 10.372 -11.128 -14.049 1.00 34.14 N ATOM 448 CA CYS A 29 10.265 -12.097 -12.965 1.00 4.32 C ATOM 449 C CYS A 29 9.464 -13.319 -13.405 1.00 65.42 C ATOM 450 O CYS A 29 8.433 -13.194 -14.066 1.00 54.55 O ATOM 451 CB CYS A 29 9.605 -11.455 -11.742 1.00 2.32 C ATOM 452 SG CYS A 29 10.785 -10.820 -10.508 1.00 13.01 S ATOM 0 H CYS A 29 9.837 -10.272 -13.903 1.00 34.14 H new ATOM 0 HA CYS A 29 11.272 -12.420 -12.699 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.968 -10.636 -12.075 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.957 -12.190 -11.265 1.00 2.32 H new ATOM 457 N VAL A 30 9.946 -14.501 -13.034 1.00 54.32 N ATOM 458 CA VAL A 30 9.275 -15.746 -13.389 1.00 70.23 C ATOM 459 C VAL A 30 8.977 -16.582 -12.149 1.00 25.44 C ATOM 460 O VAL A 30 9.658 -16.466 -11.129 1.00 2.32 O ATOM 461 CB VAL A 30 10.124 -16.581 -14.366 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.112 -15.956 -15.752 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.547 -16.724 -13.848 1.00 33.45 C ATOM 0 H VAL A 30 10.799 -14.623 -12.488 1.00 54.32 H new ATOM 0 HA VAL A 30 8.338 -15.474 -13.874 1.00 70.23 H new ATOM 0 HB VAL A 30 9.688 -17.577 -14.439 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.717 -16.560 -16.429 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.088 -15.912 -16.122 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.523 -14.948 -15.700 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.132 -17.317 -14.551 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.997 -15.737 -13.743 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.533 -17.221 -12.878 1.00 33.45 H new ATOM 473 N LEU A 31 7.955 -17.425 -12.243 1.00 4.15 N ATOM 474 CA LEU A 31 7.565 -18.283 -11.129 1.00 75.23 C ATOM 475 C LEU A 31 8.740 -19.134 -10.661 1.00 50.02 C ATOM 476 O LEU A 31 9.226 -19.996 -11.392 1.00 22.54 O ATOM 477 CB LEU A 31 6.398 -19.184 -11.538 1.00 61.45 C ATOM 478 CG LEU A 31 5.024 -18.789 -10.997 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.010 -18.853 -9.477 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.641 -17.397 -11.477 1.00 41.33 C ATOM 0 H LEU A 31 7.381 -17.533 -13.079 1.00 4.15 H new ATOM 0 HA LEU A 31 7.251 -17.645 -10.303 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.345 -19.205 -12.627 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.617 -20.200 -11.210 1.00 61.45 H new ATOM 0 HG LEU A 31 4.288 -19.498 -11.377 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.024 -18.569 -9.110 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.239 -19.868 -9.153 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.758 -18.168 -9.077 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.660 -17.133 -11.082 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.379 -16.676 -11.127 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.609 -17.384 -12.566 1.00 41.33 H new ATOM 492 N ALA A 32 9.192 -18.887 -9.435 1.00 4.33 N ATOM 493 CA ALA A 32 10.307 -19.633 -8.867 1.00 15.15 C ATOM 494 C ALA A 32 10.069 -21.136 -8.965 1.00 55.54 C ATOM 495 O ALA A 32 8.926 -21.594 -8.974 1.00 73.11 O ATOM 496 CB ALA A 32 10.531 -19.226 -7.418 1.00 71.52 C ATOM 0 H ALA A 32 8.802 -18.176 -8.817 1.00 4.33 H new ATOM 0 HA ALA A 32 11.202 -19.395 -9.442 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.367 -19.791 -7.006 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.755 -18.160 -7.370 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.632 -19.434 -6.838 1.00 71.52 H new ATOM 502 N SER A 33 11.154 -21.900 -9.039 1.00 5.52 N ATOM 503 CA SER A 33 11.063 -23.351 -9.141 1.00 3.12 C ATOM 504 C SER A 33 11.154 -24.000 -7.763 1.00 20.44 C ATOM 505 O SER A 33 11.628 -23.401 -6.797 1.00 14.20 O ATOM 506 CB SER A 33 12.172 -23.891 -10.046 1.00 12.34 C ATOM 507 OG SER A 33 11.754 -23.928 -11.399 1.00 42.23 O ATOM 0 H SER A 33 12.107 -21.537 -9.030 1.00 5.52 H new ATOM 0 HA SER A 33 10.095 -23.599 -9.577 1.00 3.12 H new ATOM 0 HB2 SER A 33 13.059 -23.264 -9.953 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.455 -24.893 -9.722 1.00 12.34 H new ATOM 0 HG SER A 33 12.481 -24.275 -11.957 1.00 42.23 H new ATOM 513 N PRO A 34 10.688 -25.254 -7.669 1.00 13.32 N ATOM 514 CA PRO A 34 10.706 -26.013 -6.414 1.00 50.50 C ATOM 515 C PRO A 34 12.119 -26.401 -5.991 1.00 43.10 C ATOM 516 O PRO A 34 12.382 -26.635 -4.812 1.00 12.32 O ATOM 517 CB PRO A 34 9.884 -27.262 -6.744 1.00 41.21 C ATOM 518 CG PRO A 34 10.012 -27.421 -8.219 1.00 4.12 C ATOM 519 CD PRO A 34 10.109 -26.029 -8.779 1.00 51.01 C ATOM 0 HA PRO A 34 10.310 -25.433 -5.581 1.00 50.50 H new ATOM 0 HB2 PRO A 34 10.265 -28.137 -6.217 1.00 41.21 H new ATOM 0 HB3 PRO A 34 8.842 -27.140 -6.448 1.00 41.21 H new ATOM 0 HG2 PRO A 34 10.896 -28.006 -8.473 1.00 4.12 H new ATOM 0 HG3 PRO A 34 9.151 -27.948 -8.631 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.742 -25.996 -9.665 1.00 51.01 H new ATOM 0 HD3 PRO A 34 9.132 -25.644 -9.071 1.00 51.01 H new ATOM 527 N PHE A 35 13.025 -26.466 -6.961 1.00 64.13 N ATOM 528 CA PHE A 35 14.411 -26.826 -6.689 1.00 72.03 C ATOM 529 C PHE A 35 15.348 -25.666 -7.012 1.00 44.31 C ATOM 530 O PHE A 35 16.538 -25.711 -6.701 1.00 62.35 O ATOM 531 CB PHE A 35 14.810 -28.059 -7.503 1.00 53.23 C ATOM 532 CG PHE A 35 14.391 -29.356 -6.871 1.00 63.23 C ATOM 533 CD1 PHE A 35 13.053 -29.708 -6.802 1.00 5.32 C ATOM 534 CD2 PHE A 35 15.336 -30.223 -6.346 1.00 33.02 C ATOM 535 CE1 PHE A 35 12.665 -30.900 -6.220 1.00 42.13 C ATOM 536 CE2 PHE A 35 14.955 -31.416 -5.764 1.00 33.23 C ATOM 537 CZ PHE A 35 13.617 -31.756 -5.701 1.00 1.41 C ATOM 0 H PHE A 35 12.824 -26.274 -7.942 1.00 64.13 H new ATOM 0 HA PHE A 35 14.498 -27.056 -5.627 1.00 72.03 H new ATOM 0 HB2 PHE A 35 14.366 -27.988 -8.496 1.00 53.23 H new ATOM 0 HB3 PHE A 35 15.892 -28.062 -7.637 1.00 53.23 H new ATOM 0 HD1 PHE A 35 12.305 -29.043 -7.208 1.00 5.32 H new ATOM 0 HD2 PHE A 35 16.383 -29.963 -6.393 1.00 33.02 H new ATOM 0 HE1 PHE A 35 11.618 -31.162 -6.171 1.00 42.13 H new ATOM 0 HE2 PHE A 35 15.702 -32.083 -5.359 1.00 33.23 H new ATOM 0 HZ PHE A 35 13.316 -32.689 -5.247 1.00 1.41 H new TER 547 PHE A 35