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+ -167:sc= -0.0515 (180deg=-0.258) 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 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= -1.13 X(o=-1.1,f=-0.97) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 14 ASN : amide:sc= -0.044 K(o=-0.044,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= -0.209 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.231 (180deg=0.23) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.096 1.011 -2.130 1.00 52.43 N ATOM 2 CA SER A 1 2.440 0.023 -1.282 1.00 24.24 C ATOM 3 C SER A 1 2.299 -1.310 -2.010 1.00 44.41 C ATOM 4 O SER A 1 2.232 -2.367 -1.382 1.00 73.41 O ATOM 5 CB SER A 1 1.063 0.528 -0.845 1.00 3.13 C ATOM 6 OG SER A 1 1.133 1.866 -0.386 1.00 33.44 O ATOM 0 H1 SER A 1 3.379 1.829 -1.554 1.00 52.43 H new ATOM 0 H2 SER A 1 3.939 0.588 -2.568 1.00 52.43 H new ATOM 0 H3 SER A 1 2.438 1.322 -2.873 1.00 52.43 H new ATOM 0 HA SER A 1 3.060 -0.130 -0.398 1.00 24.24 H new ATOM 0 HB2 SER A 1 0.366 0.463 -1.681 1.00 3.13 H new ATOM 0 HB3 SER A 1 0.672 -0.111 -0.053 1.00 3.13 H new ATOM 0 HG SER A 1 0.240 2.166 -0.114 1.00 33.44 H new ATOM 12 N GLU A 2 2.255 -1.251 -3.336 1.00 41.25 N ATOM 13 CA GLU A 2 2.120 -2.453 -4.150 1.00 73.01 C ATOM 14 C GLU A 2 3.480 -3.103 -4.390 1.00 11.12 C ATOM 15 O GLU A 2 4.516 -2.555 -4.017 1.00 60.40 O ATOM 16 CB GLU A 2 1.458 -2.119 -5.488 1.00 23.35 C ATOM 17 CG GLU A 2 0.486 -3.184 -5.969 1.00 11.21 C ATOM 18 CD GLU A 2 -0.614 -2.616 -6.845 1.00 4.33 C ATOM 19 OE1 GLU A 2 -1.562 -2.017 -6.295 1.00 41.33 O1- ATOM 20 OE2 GLU A 2 -0.526 -2.771 -8.081 1.00 33.02 O ATOM 0 H GLU A 2 2.311 -0.384 -3.870 1.00 41.25 H new ATOM 0 HA GLU A 2 1.490 -3.159 -3.608 1.00 73.01 H new ATOM 0 HB2 GLU A 2 0.928 -1.171 -5.395 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.233 -1.979 -6.242 1.00 23.35 H new ATOM 0 HG2 GLU A 2 1.033 -3.945 -6.526 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.040 -3.679 -5.107 1.00 11.21 H new ATOM 27 N CYS A 3 3.467 -4.274 -5.018 1.00 42.14 N ATOM 28 CA CYS A 3 4.697 -5.000 -5.309 1.00 42.15 C ATOM 29 C CYS A 3 4.743 -5.429 -6.773 1.00 30.34 C ATOM 30 O CYS A 3 3.848 -5.108 -7.553 1.00 64.22 O ATOM 31 CB CYS A 3 4.817 -6.226 -4.403 1.00 34.30 C ATOM 32 SG CYS A 3 3.294 -7.220 -4.290 1.00 72.02 S ATOM 0 H CYS A 3 2.617 -4.741 -5.335 1.00 42.14 H new ATOM 0 HA CYS A 3 5.537 -4.332 -5.118 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.625 -6.859 -4.771 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.099 -5.899 -3.402 1.00 34.30 H new ATOM 37 N GLY A 4 5.793 -6.157 -7.137 1.00 4.44 N ATOM 38 CA GLY A 4 5.937 -6.619 -8.506 1.00 13.42 C ATOM 39 C GLY A 4 4.846 -7.593 -8.907 1.00 43.02 C ATOM 40 O GLY A 4 3.754 -7.582 -8.339 1.00 51.20 O ATOM 0 H GLY A 4 6.547 -6.436 -6.509 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.920 -5.762 -9.179 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.909 -7.098 -8.624 1.00 13.42 H new ATOM 44 N LYS A 5 5.142 -8.439 -9.887 1.00 14.14 N ATOM 45 CA LYS A 5 4.179 -9.425 -10.365 1.00 71.53 C ATOM 46 C LYS A 5 4.841 -10.412 -11.321 1.00 3.13 C ATOM 47 O LYS A 5 5.995 -10.237 -11.709 1.00 70.30 O ATOM 48 CB LYS A 5 3.008 -8.729 -11.063 1.00 45.22 C ATOM 49 CG LYS A 5 1.647 -9.161 -10.544 1.00 15.10 C ATOM 50 CD LYS A 5 0.578 -9.038 -11.616 1.00 72.00 C ATOM 51 CE LYS A 5 -0.492 -8.032 -11.223 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.726 -8.187 -12.042 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.042 -8.462 -10.367 1.00 14.14 H new ATOM 0 HA LYS A 5 3.803 -9.977 -9.503 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.110 -7.651 -10.938 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.061 -8.932 -12.133 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.699 -10.193 -10.198 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.373 -8.550 -9.684 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.038 -8.733 -12.556 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.118 -10.012 -11.787 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.738 -8.157 -10.168 1.00 3.34 H new ATOM 0 HE3 LYS A 5 -0.102 -7.021 -11.342 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.431 -7.483 -11.744 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.497 -8.043 -13.046 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.113 -9.143 -11.909 1.00 33.12 H new ATOM 66 N PHE A 6 4.101 -11.450 -11.698 1.00 1.44 N ATOM 67 CA PHE A 6 4.615 -12.465 -12.610 1.00 43.32 C ATOM 68 C PHE A 6 4.668 -11.935 -14.040 1.00 62.05 C ATOM 69 O PHE A 6 3.790 -11.187 -14.468 1.00 70.24 O ATOM 70 CB PHE A 6 3.744 -13.722 -12.551 1.00 24.12 C ATOM 71 CG PHE A 6 4.088 -14.739 -13.603 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.388 -15.195 -13.745 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.110 -15.237 -14.449 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.707 -16.131 -14.710 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.424 -16.173 -15.416 1.00 72.54 C ATOM 76 CZ PHE A 6 4.725 -16.619 -15.548 1.00 32.12 C ATOM 0 H PHE A 6 3.143 -11.610 -11.386 1.00 1.44 H new ATOM 0 HA PHE A 6 5.628 -12.719 -12.298 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.846 -14.180 -11.567 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.698 -13.435 -12.662 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.161 -14.815 -13.094 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.092 -14.890 -14.352 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.724 -16.481 -14.808 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.653 -16.556 -16.068 1.00 72.54 H new ATOM 0 HZ PHE A 6 4.973 -17.348 -16.305 1.00 32.12 H new ATOM 86 N MET A 7 5.705 -12.328 -14.772 1.00 43.35 N ATOM 87 CA MET A 7 5.873 -11.894 -16.154 1.00 21.13 C ATOM 88 C MET A 7 6.026 -10.378 -16.232 1.00 62.32 C ATOM 89 O MET A 7 5.799 -9.775 -17.282 1.00 44.50 O ATOM 90 CB MET A 7 4.680 -12.342 -17.000 1.00 61.22 C ATOM 91 CG MET A 7 4.944 -13.605 -17.804 1.00 50.33 C ATOM 92 SD MET A 7 3.694 -13.898 -19.070 1.00 74.33 S ATOM 93 CE MET A 7 4.471 -15.205 -20.016 1.00 44.25 C ATOM 0 H MET A 7 6.441 -12.946 -14.431 1.00 43.35 H new ATOM 0 HA MET A 7 6.780 -12.354 -16.546 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.824 -12.510 -16.346 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.407 -11.537 -17.683 1.00 61.22 H new ATOM 0 HG2 MET A 7 5.924 -13.532 -18.276 1.00 50.33 H new ATOM 0 HG3 MET A 7 4.979 -14.460 -17.129 1.00 50.33 H new ATOM 0 HE1 MET A 7 3.818 -15.496 -20.839 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.421 -14.850 -20.415 1.00 44.25 H new ATOM 0 HE3 MET A 7 4.648 -16.065 -19.371 1.00 44.25 H new ATOM 103 N TRP A 8 6.412 -9.769 -15.117 1.00 34.43 N ATOM 104 CA TRP A 8 6.595 -8.322 -15.061 1.00 22.41 C ATOM 105 C TRP A 8 8.075 -7.963 -15.030 1.00 34.33 C ATOM 106 O TRP A 8 8.838 -8.493 -14.221 1.00 51.25 O ATOM 107 CB TRP A 8 5.891 -7.747 -13.832 1.00 44.33 C ATOM 108 CG TRP A 8 4.412 -7.582 -14.015 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.601 -8.320 -14.830 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.571 -6.619 -13.373 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.306 -7.872 -14.733 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.260 -6.830 -13.844 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.796 -5.599 -12.444 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.183 -6.058 -13.418 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.725 -4.834 -12.022 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.432 -5.068 -12.508 1.00 23.11 C ATOM 0 H TRP A 8 6.604 -10.253 -14.240 1.00 34.43 H new ATOM 0 HA TRP A 8 6.154 -7.888 -15.959 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.073 -8.401 -12.979 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.330 -6.779 -13.591 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.929 -9.135 -15.458 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.508 -8.253 -15.241 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.789 -5.412 -12.063 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.186 -6.235 -13.793 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.888 -4.042 -11.305 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.616 -4.454 -12.157 1.00 23.11 H new ATOM 127 N LYS A 9 8.479 -7.057 -15.915 1.00 21.41 N ATOM 128 CA LYS A 9 9.870 -6.625 -15.988 1.00 71.24 C ATOM 129 C LYS A 9 10.388 -6.223 -14.611 1.00 45.12 C ATOM 130 O LYS A 9 9.630 -5.740 -13.768 1.00 22.42 O ATOM 131 CB LYS A 9 10.009 -5.451 -16.959 1.00 71.41 C ATOM 132 CG LYS A 9 9.914 -5.856 -18.421 1.00 42.53 C ATOM 133 CD LYS A 9 8.472 -5.884 -18.899 1.00 21.25 C ATOM 134 CE LYS A 9 8.389 -5.908 -20.417 1.00 65.14 C ATOM 135 NZ LYS A 9 6.978 -5.927 -20.895 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.862 -6.608 -16.592 1.00 21.41 H new ATOM 0 HA LYS A 9 10.466 -7.462 -16.351 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.232 -4.717 -16.743 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.967 -4.960 -16.788 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.487 -5.158 -19.031 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.363 -6.840 -18.557 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.970 -6.762 -18.492 1.00 21.25 H new ATOM 0 HD3 LYS A 9 7.944 -5.010 -18.518 1.00 21.25 H new ATOM 0 HE2 LYS A 9 8.898 -5.034 -20.822 1.00 65.14 H new ATOM 0 HE3 LYS A 9 8.913 -6.786 -20.796 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 6.964 -5.943 -21.935 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 6.499 -6.774 -20.529 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 6.485 -5.077 -20.555 1.00 63.20 H new ATOM 149 N CYS A 10 11.682 -6.423 -14.389 1.00 44.41 N ATOM 150 CA CYS A 10 12.302 -6.081 -13.114 1.00 52.21 C ATOM 151 C CYS A 10 13.802 -5.856 -13.282 1.00 12.32 C ATOM 152 O CYS A 10 14.456 -6.526 -14.081 1.00 13.12 O ATOM 153 CB CYS A 10 12.052 -7.188 -12.089 1.00 5.43 C ATOM 154 SG CYS A 10 12.962 -8.730 -12.423 1.00 71.00 S ATOM 0 H CYS A 10 12.323 -6.821 -15.076 1.00 44.41 H new ATOM 0 HA CYS A 10 11.852 -5.155 -12.756 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.329 -6.822 -11.100 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.985 -7.408 -12.060 1.00 5.43 H new ATOM 159 N LYS A 11 14.342 -4.910 -12.522 1.00 64.42 N ATOM 160 CA LYS A 11 15.764 -4.595 -12.584 1.00 41.35 C ATOM 161 C LYS A 11 16.550 -5.431 -11.578 1.00 30.14 C ATOM 162 O LYS A 11 17.776 -5.506 -11.642 1.00 31.31 O ATOM 163 CB LYS A 11 15.991 -3.106 -12.314 1.00 1.10 C ATOM 164 CG LYS A 11 15.373 -2.622 -11.014 1.00 23.24 C ATOM 165 CD LYS A 11 14.029 -1.954 -11.250 1.00 22.43 C ATOM 166 CE LYS A 11 13.024 -2.328 -10.172 1.00 23.11 C ATOM 167 NZ LYS A 11 11.828 -1.441 -10.197 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.815 -4.347 -11.854 1.00 64.42 H new ATOM 0 HA LYS A 11 16.120 -4.834 -13.586 1.00 41.35 H new ATOM 0 HB2 LYS A 11 17.063 -2.909 -12.293 1.00 1.10 H new ATOM 0 HB3 LYS A 11 15.577 -2.528 -13.140 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.247 -3.465 -10.334 1.00 23.24 H new ATOM 0 HG3 LYS A 11 16.049 -1.919 -10.528 1.00 23.24 H new ATOM 0 HD2 LYS A 11 14.158 -0.872 -11.269 1.00 22.43 H new ATOM 0 HD3 LYS A 11 13.643 -2.246 -12.226 1.00 22.43 H new ATOM 0 HE2 LYS A 11 12.711 -3.363 -10.310 1.00 23.11 H new ATOM 0 HE3 LYS A 11 13.501 -2.267 -9.194 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 11.167 -1.728 -9.447 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 12.123 -0.456 -10.040 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 11.358 -1.518 -11.121 1.00 11.12 H new ATOM 181 N ASN A 12 15.834 -6.059 -10.650 1.00 51.45 N ATOM 182 CA ASN A 12 16.465 -6.889 -9.631 1.00 3.12 C ATOM 183 C ASN A 12 15.447 -7.824 -8.985 1.00 14.41 C ATOM 184 O ASN A 12 14.257 -7.773 -9.295 1.00 45.02 O ATOM 185 CB ASN A 12 17.119 -6.013 -8.561 1.00 2.42 C ATOM 186 CG ASN A 12 18.528 -5.597 -8.938 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.458 -6.402 -8.895 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.692 -4.332 -9.310 1.00 73.25 N ATOM 0 H ASN A 12 14.817 -6.009 -10.583 1.00 51.45 H new ATOM 0 HA ASN A 12 17.233 -7.493 -10.115 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.510 -5.123 -8.402 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.144 -6.556 -7.616 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.617 -3.994 -9.575 1.00 73.25 H new ATOM 0 HD22 ASN A 12 17.893 -3.699 -9.331 1.00 73.25 H new ATOM 195 N SER A 13 15.923 -8.679 -8.085 1.00 15.42 N ATOM 196 CA SER A 13 15.056 -9.627 -7.397 1.00 2.01 C ATOM 197 C SER A 13 14.207 -8.923 -6.343 1.00 64.12 C ATOM 198 O SER A 13 13.292 -9.514 -5.771 1.00 55.22 O ATOM 199 CB SER A 13 15.889 -10.731 -6.742 1.00 4.24 C ATOM 200 OG SER A 13 17.106 -10.933 -7.441 1.00 14.12 O ATOM 0 H SER A 13 16.905 -8.734 -7.816 1.00 15.42 H new ATOM 0 HA SER A 13 14.390 -10.073 -8.136 1.00 2.01 H new ATOM 0 HB2 SER A 13 16.100 -10.466 -5.706 1.00 4.24 H new ATOM 0 HB3 SER A 13 15.318 -11.659 -6.723 1.00 4.24 H new ATOM 0 HG SER A 13 17.621 -11.642 -7.002 1.00 14.12 H new ATOM 206 N ASN A 14 14.518 -7.655 -6.093 1.00 2.51 N ATOM 207 CA ASN A 14 13.785 -6.868 -5.109 1.00 2.11 C ATOM 208 C ASN A 14 12.392 -6.516 -5.621 1.00 40.21 C ATOM 209 O ASN A 14 11.455 -6.352 -4.840 1.00 72.22 O ATOM 210 CB ASN A 14 14.554 -5.589 -4.771 1.00 71.03 C ATOM 211 CG ASN A 14 15.766 -5.857 -3.897 1.00 13.31 C ATOM 212 OD1 ASN A 14 15.806 -6.840 -3.157 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.761 -4.982 -3.981 1.00 13.12 N ATOM 0 H ASN A 14 15.273 -7.151 -6.559 1.00 2.51 H new ATOM 0 HA ASN A 14 13.680 -7.470 -4.206 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.875 -5.106 -5.694 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.889 -4.892 -4.261 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.602 -5.110 -3.418 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.684 -4.181 -4.608 1.00 13.12 H new ATOM 220 N ASP A 15 12.264 -6.402 -6.939 1.00 65.41 N ATOM 221 CA ASP A 15 10.985 -6.071 -7.557 1.00 74.11 C ATOM 222 C ASP A 15 9.979 -7.199 -7.361 1.00 3.03 C ATOM 223 O ASP A 15 8.770 -6.967 -7.309 1.00 52.11 O ATOM 224 CB ASP A 15 11.174 -5.790 -9.049 1.00 34.42 C ATOM 225 CG ASP A 15 10.196 -4.754 -9.570 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.794 -3.871 -8.785 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.834 -4.828 -10.763 1.00 11.11 O1- ATOM 0 H ASP A 15 13.030 -6.534 -7.599 1.00 65.41 H new ATOM 0 HA ASP A 15 10.596 -5.175 -7.073 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.193 -5.445 -9.225 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.050 -6.717 -9.609 1.00 34.42 H new ATOM 232 N CYS A 16 10.484 -8.424 -7.254 1.00 23.35 N ATOM 233 CA CYS A 16 9.630 -9.590 -7.066 1.00 33.41 C ATOM 234 C CYS A 16 8.844 -9.485 -5.763 1.00 13.44 C ATOM 235 O CYS A 16 9.417 -9.270 -4.695 1.00 13.33 O ATOM 236 CB CYS A 16 10.470 -10.869 -7.065 1.00 65.34 C ATOM 237 SG CYS A 16 11.250 -11.248 -8.668 1.00 62.13 S ATOM 0 H CYS A 16 11.481 -8.634 -7.294 1.00 23.35 H new ATOM 0 HA CYS A 16 8.923 -9.628 -7.895 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.248 -10.779 -6.307 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.836 -11.707 -6.774 1.00 65.34 H new ATOM 242 N CYS A 17 7.527 -9.638 -5.859 1.00 51.51 N ATOM 243 CA CYS A 17 6.660 -9.560 -4.689 1.00 14.30 C ATOM 244 C CYS A 17 6.813 -10.801 -3.815 1.00 34.03 C ATOM 245 O CYS A 17 7.318 -10.726 -2.694 1.00 53.55 O ATOM 246 CB CYS A 17 5.201 -9.402 -5.119 1.00 32.13 C ATOM 247 SG CYS A 17 4.067 -8.975 -3.759 1.00 71.00 S ATOM 0 H CYS A 17 7.037 -9.817 -6.735 1.00 51.51 H new ATOM 0 HA CYS A 17 6.956 -8.688 -4.106 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.141 -8.628 -5.884 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.866 -10.332 -5.579 1.00 32.13 H new ATOM 252 N LYS A 18 6.375 -11.942 -4.335 1.00 2.41 N ATOM 253 CA LYS A 18 6.464 -13.201 -3.605 1.00 32.05 C ATOM 254 C LYS A 18 6.412 -14.389 -4.560 1.00 15.02 C ATOM 255 O LYS A 18 5.627 -14.402 -5.508 1.00 34.32 O ATOM 256 CB LYS A 18 5.328 -13.304 -2.584 1.00 73.25 C ATOM 257 CG LYS A 18 5.423 -14.527 -1.690 1.00 5.22 C ATOM 258 CD LYS A 18 4.588 -15.677 -2.228 1.00 54.05 C ATOM 259 CE LYS A 18 3.230 -15.749 -1.546 1.00 51.15 C ATOM 260 NZ LYS A 18 2.425 -16.903 -2.031 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.954 -12.021 -5.261 1.00 2.41 H new ATOM 0 HA LYS A 18 7.419 -13.221 -3.080 1.00 32.05 H new ATOM 0 HB2 LYS A 18 5.328 -12.409 -1.962 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.376 -13.325 -3.114 1.00 73.25 H new ATOM 0 HG2 LYS A 18 6.464 -14.839 -1.608 1.00 5.22 H new ATOM 0 HG3 LYS A 18 5.087 -14.271 -0.685 1.00 5.22 H new ATOM 0 HD2 LYS A 18 4.450 -15.556 -3.302 1.00 54.05 H new ATOM 0 HD3 LYS A 18 5.121 -16.616 -2.079 1.00 54.05 H new ATOM 0 HE2 LYS A 18 3.369 -15.831 -0.468 1.00 51.15 H new ATOM 0 HE3 LYS A 18 2.683 -14.824 -1.727 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 1.507 -16.916 -1.542 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 2.270 -16.812 -3.055 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 2.934 -17.788 -1.835 1.00 61.42 H new ATOM 274 N ASP A 19 7.252 -15.385 -4.303 1.00 60.05 N ATOM 275 CA ASP A 19 7.300 -16.579 -5.139 1.00 34.00 C ATOM 276 C ASP A 19 7.759 -16.235 -6.553 1.00 62.31 C ATOM 277 O ASP A 19 7.530 -16.995 -7.494 1.00 74.31 O ATOM 278 CB ASP A 19 5.927 -17.251 -5.185 1.00 44.15 C ATOM 279 CG ASP A 19 5.859 -18.490 -4.312 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.611 -18.556 -3.317 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.053 -19.391 -4.624 1.00 31.11 O ATOM 0 H ASP A 19 7.909 -15.390 -3.523 1.00 60.05 H new ATOM 0 HA ASP A 19 8.020 -17.270 -4.701 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.167 -16.540 -4.862 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.693 -17.522 -6.214 1.00 44.15 H new ATOM 286 N LEU A 20 8.408 -15.085 -6.695 1.00 15.45 N ATOM 287 CA LEU A 20 8.899 -14.639 -7.994 1.00 3.34 C ATOM 288 C LEU A 20 10.404 -14.399 -7.955 1.00 15.22 C ATOM 289 O LEU A 20 10.965 -14.076 -6.908 1.00 54.12 O ATOM 290 CB LEU A 20 8.178 -13.358 -8.421 1.00 32.33 C ATOM 291 CG LEU A 20 6.912 -13.548 -9.257 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.142 -14.772 -8.787 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.036 -12.305 -9.187 1.00 74.21 C ATOM 0 H LEU A 20 8.607 -14.444 -5.927 1.00 15.45 H new ATOM 0 HA LEU A 20 8.694 -15.425 -8.721 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.916 -12.796 -7.524 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.876 -12.744 -8.990 1.00 32.33 H new ATOM 0 HG LEU A 20 7.204 -13.704 -10.295 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.244 -14.892 -9.393 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.769 -15.658 -8.889 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.860 -14.645 -7.742 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.139 -12.458 -9.788 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.752 -12.118 -8.151 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.589 -11.448 -9.572 1.00 74.21 H new ATOM 305 N VAL A 21 11.055 -14.559 -9.103 1.00 12.02 N ATOM 306 CA VAL A 21 12.495 -14.357 -9.202 1.00 44.43 C ATOM 307 C VAL A 21 12.866 -13.670 -10.511 1.00 71.53 C ATOM 308 O VAL A 21 12.468 -14.108 -11.589 1.00 64.04 O ATOM 309 CB VAL A 21 13.257 -15.691 -9.101 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.071 -16.310 -7.724 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.800 -16.648 -10.191 1.00 70.34 C ATOM 0 H VAL A 21 10.607 -14.828 -9.979 1.00 12.02 H new ATOM 0 HA VAL A 21 12.783 -13.719 -8.367 1.00 44.43 H new ATOM 0 HB VAL A 21 14.320 -15.494 -9.243 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.617 -17.252 -7.672 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.451 -15.628 -6.964 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.011 -16.495 -7.548 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.349 -17.586 -10.105 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.733 -16.841 -10.082 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.991 -16.204 -11.168 1.00 70.34 H new ATOM 321 N CYS A 22 13.632 -12.588 -10.409 1.00 50.54 N ATOM 322 CA CYS A 22 14.058 -11.838 -11.585 1.00 71.21 C ATOM 323 C CYS A 22 14.874 -12.721 -12.526 1.00 73.43 C ATOM 324 O CYS A 22 15.977 -13.152 -12.190 1.00 44.52 O ATOM 325 CB CYS A 22 14.884 -10.620 -11.167 1.00 74.43 C ATOM 326 SG CYS A 22 14.865 -9.259 -12.378 1.00 14.40 S ATOM 0 H CYS A 22 13.970 -12.211 -9.524 1.00 50.54 H new ATOM 0 HA CYS A 22 13.166 -11.500 -12.113 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.508 -10.249 -10.213 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.915 -10.932 -11.003 1.00 74.43 H new ATOM 331 N SER A 23 14.322 -12.985 -13.706 1.00 64.24 N ATOM 332 CA SER A 23 14.996 -13.819 -14.695 1.00 31.22 C ATOM 333 C SER A 23 15.465 -12.982 -15.881 1.00 73.33 C ATOM 334 O SER A 23 14.654 -12.461 -16.648 1.00 61.23 O ATOM 335 CB SER A 23 14.062 -14.930 -15.178 1.00 40.14 C ATOM 336 OG SER A 23 14.349 -16.156 -14.529 1.00 31.01 O ATOM 0 H SER A 23 13.411 -12.634 -14.001 1.00 64.24 H new ATOM 0 HA SER A 23 15.869 -14.269 -14.221 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.027 -14.648 -14.987 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.165 -15.053 -16.256 1.00 40.14 H new ATOM 0 HG SER A 23 14.281 -16.891 -15.173 1.00 31.01 H new ATOM 342 N SER A 24 16.780 -12.857 -16.026 1.00 1.30 N ATOM 343 CA SER A 24 17.359 -12.080 -17.116 1.00 51.40 C ATOM 344 C SER A 24 17.108 -12.759 -18.460 1.00 24.35 C ATOM 345 O SER A 24 17.308 -12.160 -19.517 1.00 53.40 O ATOM 346 CB SER A 24 18.862 -11.898 -16.899 1.00 44.52 C ATOM 347 OG SER A 24 19.127 -11.323 -15.630 1.00 33.02 O ATOM 0 H SER A 24 17.465 -13.284 -15.402 1.00 1.30 H new ATOM 0 HA SER A 24 16.879 -11.102 -17.126 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.364 -12.863 -16.977 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.272 -11.261 -17.683 1.00 44.52 H new ATOM 0 HG SER A 24 20.094 -11.218 -15.514 1.00 33.02 H new ATOM 353 N ARG A 25 16.667 -14.011 -18.409 1.00 75.21 N ATOM 354 CA ARG A 25 16.388 -14.773 -19.621 1.00 43.25 C ATOM 355 C ARG A 25 15.123 -14.262 -20.306 1.00 61.22 C ATOM 356 O ARG A 25 15.098 -14.069 -21.520 1.00 1.33 O ATOM 357 CB ARG A 25 16.239 -16.259 -19.293 1.00 4.34 C ATOM 358 CG ARG A 25 15.556 -17.060 -20.388 1.00 65.22 C ATOM 359 CD ARG A 25 15.808 -18.551 -20.229 1.00 1.10 C ATOM 360 NE ARG A 25 15.447 -19.298 -21.431 1.00 14.51 N ATOM 361 CZ ARG A 25 15.537 -20.621 -21.528 1.00 61.34 C ATOM 362 NH1 ARG A 25 15.972 -21.337 -20.501 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.189 -21.229 -22.655 1.00 71.15 N ATOM 0 H ARG A 25 16.495 -14.520 -17.542 1.00 75.21 H new ATOM 0 HA ARG A 25 17.228 -14.642 -20.303 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.226 -16.682 -19.108 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.669 -16.363 -18.370 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.483 -16.867 -20.366 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.919 -16.731 -21.361 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.861 -18.718 -20.001 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.234 -18.927 -19.382 1.00 1.10 H new ATOM 0 HE ARG A 25 15.108 -18.777 -22.239 1.00 14.51 H new ATOM 0 HH11 ARG A 25 16.239 -20.873 -19.633 1.00 4.04 H new ATOM 0 HH12 ARG A 25 16.040 -22.352 -20.579 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.852 -20.681 -23.447 1.00 71.15 H new ATOM 0 HH22 ARG A 25 15.258 -22.244 -22.729 1.00 71.15 H new ATOM 377 N TRP A 26 14.076 -14.049 -19.517 1.00 21.33 N ATOM 378 CA TRP A 26 12.808 -13.562 -20.046 1.00 11.24 C ATOM 379 C TRP A 26 12.696 -12.049 -19.888 1.00 12.14 C ATOM 380 O TRP A 26 11.742 -11.434 -20.366 1.00 65.35 O ATOM 381 CB TRP A 26 11.638 -14.249 -19.339 1.00 62.44 C ATOM 382 CG TRP A 26 11.851 -15.718 -19.132 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.295 -16.330 -17.994 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.629 -16.759 -20.089 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.362 -17.689 -18.187 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.958 -17.978 -19.463 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.182 -16.782 -21.413 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.856 -19.202 -20.119 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.081 -17.998 -22.062 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.416 -19.195 -21.414 1.00 42.31 C ATOM 0 H TRP A 26 14.080 -14.206 -18.509 1.00 21.33 H new ATOM 0 HA TRP A 26 12.772 -13.801 -21.109 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.476 -13.772 -18.372 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.730 -14.099 -19.924 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.555 -15.821 -17.078 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.664 -18.372 -17.492 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.920 -15.865 -21.920 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.115 -20.125 -19.622 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.738 -18.026 -23.086 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.325 -20.130 -21.948 1.00 42.31 H new ATOM 401 N LYS A 27 13.675 -11.456 -19.214 1.00 43.14 N ATOM 402 CA LYS A 27 13.689 -10.015 -18.994 1.00 71.25 C ATOM 403 C LYS A 27 12.590 -9.604 -18.018 1.00 75.02 C ATOM 404 O LYS A 27 12.125 -8.464 -18.036 1.00 43.34 O ATOM 405 CB LYS A 27 13.510 -9.273 -20.321 1.00 41.51 C ATOM 406 CG LYS A 27 14.328 -9.858 -21.458 1.00 33.01 C ATOM 407 CD LYS A 27 15.809 -9.890 -21.122 1.00 24.01 C ATOM 408 CE LYS A 27 16.617 -10.559 -22.224 1.00 21.54 C ATOM 409 NZ LYS A 27 18.078 -10.525 -21.939 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.470 -11.952 -18.810 1.00 43.14 H new ATOM 0 HA LYS A 27 14.654 -9.748 -18.563 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.456 -9.288 -20.597 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.788 -8.228 -20.184 1.00 41.51 H new ATOM 0 HG2 LYS A 27 13.981 -10.869 -21.674 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.172 -9.268 -22.361 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.171 -8.873 -20.971 1.00 24.01 H new ATOM 0 HD3 LYS A 27 15.959 -10.425 -20.184 1.00 24.01 H new ATOM 0 HE2 LYS A 27 16.293 -11.594 -22.335 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.420 -10.060 -23.173 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.596 -10.960 -22.729 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.386 -9.538 -21.824 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 18.273 -11.053 -21.064 1.00 72.21 H new ATOM 423 N TRP A 28 12.181 -10.538 -17.167 1.00 25.15 N ATOM 424 CA TRP A 28 11.138 -10.271 -16.184 1.00 74.44 C ATOM 425 C TRP A 28 11.101 -11.363 -15.120 1.00 44.12 C ATOM 426 O TRP A 28 11.732 -12.410 -15.268 1.00 32.41 O ATOM 427 CB TRP A 28 9.775 -10.166 -16.870 1.00 20.43 C ATOM 428 CG TRP A 28 9.383 -11.411 -17.607 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.283 -12.672 -17.091 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.040 -11.514 -18.994 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.898 -13.552 -18.073 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.743 -12.867 -19.249 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.954 -10.596 -20.043 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.368 -13.321 -20.511 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.582 -11.048 -21.295 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.292 -12.400 -21.520 1.00 71.13 C ATOM 0 H TRP A 28 12.556 -11.486 -17.138 1.00 25.15 H new ATOM 0 HA TRP A 28 11.366 -9.322 -15.698 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.016 -9.942 -16.121 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.791 -9.329 -17.568 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.478 -12.938 -16.063 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.751 -14.553 -17.947 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.174 -9.552 -19.879 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.145 -14.363 -20.687 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.514 -10.347 -22.114 1.00 13.32 H new ATOM 0 HH2 TRP A 28 8.003 -12.722 -22.510 1.00 71.13 H new ATOM 447 N CYS A 29 10.358 -11.113 -14.046 1.00 34.14 N ATOM 448 CA CYS A 29 10.240 -12.074 -12.957 1.00 4.32 C ATOM 449 C CYS A 29 9.441 -13.298 -13.396 1.00 65.42 C ATOM 450 O CYS A 29 8.415 -13.176 -14.065 1.00 54.55 O ATOM 451 CB CYS A 29 9.572 -11.423 -11.744 1.00 2.32 C ATOM 452 SG CYS A 29 10.743 -10.775 -10.509 1.00 13.01 S ATOM 0 H CYS A 29 9.829 -10.252 -13.908 1.00 34.14 H new ATOM 0 HA CYS A 29 11.244 -12.397 -12.680 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.935 -10.608 -12.087 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.922 -12.155 -11.264 1.00 2.32 H new ATOM 457 N VAL A 30 9.919 -14.478 -13.015 1.00 54.32 N ATOM 458 CA VAL A 30 9.249 -15.724 -13.366 1.00 70.23 C ATOM 459 C VAL A 30 8.968 -16.566 -12.128 1.00 25.44 C ATOM 460 O VAL A 30 9.671 -16.464 -11.122 1.00 2.32 O ATOM 461 CB VAL A 30 10.089 -16.552 -14.358 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.078 -15.907 -15.735 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.513 -16.711 -13.846 1.00 33.45 C ATOM 0 H VAL A 30 10.768 -14.597 -12.463 1.00 54.32 H new ATOM 0 HA VAL A 30 8.305 -15.453 -13.838 1.00 70.23 H new ATOM 0 HB VAL A 30 9.645 -17.544 -14.444 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.676 -16.506 -16.422 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.053 -15.850 -16.102 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.497 -14.903 -15.670 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.092 -17.298 -14.558 1.00 33.45 H new ATOM 0 HG22 VAL A 30 11.970 -15.728 -13.730 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.498 -17.221 -12.883 1.00 33.45 H new ATOM 473 N LEU A 31 7.937 -17.400 -12.206 1.00 4.15 N ATOM 474 CA LEU A 31 7.563 -18.263 -11.091 1.00 75.23 C ATOM 475 C LEU A 31 8.747 -19.110 -10.638 1.00 50.02 C ATOM 476 O LEU A 31 9.230 -19.967 -11.378 1.00 22.54 O ATOM 477 CB LEU A 31 6.396 -19.168 -11.490 1.00 61.45 C ATOM 478 CG LEU A 31 5.024 -18.777 -10.938 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.011 -18.878 -9.420 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.651 -17.371 -11.384 1.00 41.33 C ATOM 0 H LEU A 31 7.345 -17.497 -13.031 1.00 4.15 H new ATOM 0 HA LEU A 31 7.255 -17.629 -10.260 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.335 -19.190 -12.578 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.621 -20.183 -11.163 1.00 61.45 H new ATOM 0 HG LEU A 31 4.283 -19.471 -11.334 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.027 -18.596 -9.045 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.233 -19.903 -9.122 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.763 -18.208 -9.004 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.672 -17.110 -10.982 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.395 -16.664 -11.017 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.619 -17.331 -12.473 1.00 41.33 H new ATOM 492 N ALA A 32 9.208 -18.867 -9.415 1.00 4.33 N ATOM 493 CA ALA A 32 10.332 -19.611 -8.861 1.00 15.15 C ATOM 494 C ALA A 32 10.106 -21.114 -8.977 1.00 55.54 C ATOM 495 O ALA A 32 9.011 -21.610 -8.714 1.00 73.11 O ATOM 496 CB ALA A 32 10.558 -19.220 -7.407 1.00 71.52 C ATOM 0 H ALA A 32 8.820 -18.161 -8.790 1.00 4.33 H new ATOM 0 HA ALA A 32 11.222 -19.358 -9.437 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.400 -19.783 -7.006 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.773 -18.153 -7.346 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.663 -19.443 -6.827 1.00 71.52 H new ATOM 502 N SER A 33 11.150 -21.837 -9.375 1.00 5.52 N ATOM 503 CA SER A 33 11.064 -23.284 -9.531 1.00 3.12 C ATOM 504 C SER A 33 11.316 -23.989 -8.201 1.00 20.44 C ATOM 505 O SER A 33 11.889 -23.425 -7.269 1.00 14.20 O ATOM 506 CB SER A 33 12.071 -23.766 -10.577 1.00 12.34 C ATOM 507 OG SER A 33 11.499 -23.766 -11.873 1.00 42.23 O ATOM 0 H SER A 33 12.065 -21.443 -9.595 1.00 5.52 H new ATOM 0 HA SER A 33 10.057 -23.530 -9.867 1.00 3.12 H new ATOM 0 HB2 SER A 33 12.950 -23.122 -10.564 1.00 12.34 H new ATOM 0 HB3 SER A 33 12.409 -24.771 -10.325 1.00 12.34 H new ATOM 0 HG SER A 33 12.163 -24.076 -12.524 1.00 42.23 H new ATOM 513 N PRO A 34 10.878 -25.254 -8.111 1.00 13.32 N ATOM 514 CA PRO A 34 11.045 -26.065 -6.902 1.00 50.50 C ATOM 515 C PRO A 34 12.500 -26.448 -6.658 1.00 43.10 C ATOM 516 O PRO A 34 12.864 -26.876 -5.562 1.00 12.32 O ATOM 517 CB PRO A 34 10.205 -27.311 -7.193 1.00 41.21 C ATOM 518 CG PRO A 34 10.167 -27.405 -8.679 1.00 4.12 C ATOM 519 CD PRO A 34 10.186 -25.989 -9.183 1.00 51.01 C ATOM 0 HA PRO A 34 10.739 -25.528 -6.004 1.00 50.50 H new ATOM 0 HB2 PRO A 34 10.652 -28.202 -6.752 1.00 41.21 H new ATOM 0 HB3 PRO A 34 9.202 -27.218 -6.777 1.00 41.21 H new ATOM 0 HG2 PRO A 34 11.022 -27.965 -9.057 1.00 4.12 H new ATOM 0 HG3 PRO A 34 9.271 -27.927 -9.014 1.00 4.12 H new ATOM 0 HD2 PRO A 34 10.715 -25.908 -10.132 1.00 51.01 H new ATOM 0 HD3 PRO A 34 9.178 -25.607 -9.346 1.00 51.01 H new ATOM 527 N PHE A 35 13.329 -26.292 -7.684 1.00 64.13 N ATOM 528 CA PHE A 35 14.745 -26.622 -7.580 1.00 72.03 C ATOM 529 C PHE A 35 14.935 -28.066 -7.126 1.00 44.31 C ATOM 530 O PHE A 35 15.728 -28.346 -6.227 1.00 62.35 O ATOM 531 CB PHE A 35 15.442 -25.673 -6.604 1.00 53.23 C ATOM 532 CG PHE A 35 15.251 -24.221 -6.938 1.00 63.23 C ATOM 533 CD1 PHE A 35 15.785 -23.689 -8.101 1.00 33.02 C ATOM 534 CD2 PHE A 35 14.538 -23.389 -6.091 1.00 5.32 C ATOM 535 CE1 PHE A 35 15.612 -22.354 -8.413 1.00 33.23 C ATOM 536 CE2 PHE A 35 14.361 -22.053 -6.398 1.00 42.13 C ATOM 537 CZ PHE A 35 14.899 -21.534 -7.559 1.00 1.41 C ATOM 0 H PHE A 35 13.044 -25.939 -8.598 1.00 64.13 H new ATOM 0 HA PHE A 35 15.192 -26.508 -8.568 1.00 72.03 H new ATOM 0 HB2 PHE A 35 15.065 -25.859 -5.598 1.00 53.23 H new ATOM 0 HB3 PHE A 35 16.509 -25.897 -6.591 1.00 53.23 H new ATOM 0 HD1 PHE A 35 16.343 -24.326 -8.772 1.00 33.02 H new ATOM 0 HD2 PHE A 35 14.116 -23.788 -5.181 1.00 5.32 H new ATOM 0 HE1 PHE A 35 16.033 -21.952 -9.323 1.00 33.23 H new ATOM 0 HE2 PHE A 35 13.802 -21.415 -5.730 1.00 42.13 H new ATOM 0 HZ PHE A 35 14.763 -20.490 -7.799 1.00 1.41 H new TER 547 PHE A 35