USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 244 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 Set 1.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.013) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 158:sc= 0 (180deg=-0.858) 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= -0.389 X(o=-0.39,f=-0.37) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 1.04 (180deg=-0.863) USER MOD Single : A 23 SER OG : rot -150:sc= -0.163 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= 0.0868 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 2.240 -1.388 -3.188 1.00 41.25 N ATOM 13 CA GLU A 2 2.118 -2.513 -4.107 1.00 73.01 C ATOM 14 C GLU A 2 3.475 -3.166 -4.352 1.00 11.12 C ATOM 15 O GLU A 2 4.514 -2.627 -3.969 1.00 60.40 O ATOM 16 CB GLU A 2 1.515 -2.053 -5.435 1.00 23.35 C ATOM 17 CG GLU A 2 0.378 -2.933 -5.926 1.00 11.21 C ATOM 18 CD GLU A 2 -0.721 -3.097 -4.894 1.00 4.33 C ATOM 19 OE1 GLU A 2 -1.229 -2.070 -4.400 1.00 33.02 O ATOM 20 OE2 GLU A 2 -1.073 -4.254 -4.581 1.00 41.33 O1- ATOM 0 HA GLU A 2 1.456 -3.250 -3.651 1.00 73.01 H new ATOM 0 HB2 GLU A 2 1.151 -1.032 -5.324 1.00 23.35 H new ATOM 0 HB3 GLU A 2 2.299 -2.031 -6.192 1.00 23.35 H new ATOM 0 HG2 GLU A 2 -0.043 -2.502 -6.834 1.00 11.21 H new ATOM 0 HG3 GLU A 2 0.772 -3.914 -6.191 1.00 11.21 H new ATOM 27 N CYS A 3 3.459 -4.331 -4.992 1.00 42.14 N ATOM 28 CA CYS A 3 4.686 -5.060 -5.287 1.00 42.15 C ATOM 29 C CYS A 3 4.732 -5.475 -6.755 1.00 30.34 C ATOM 30 O CYS A 3 3.839 -5.141 -7.534 1.00 64.22 O ATOM 31 CB CYS A 3 4.799 -6.294 -4.392 1.00 34.30 C ATOM 32 SG CYS A 3 3.277 -7.293 -4.307 1.00 72.02 S ATOM 0 H CYS A 3 2.608 -4.790 -5.316 1.00 42.14 H new ATOM 0 HA CYS A 3 5.529 -4.398 -5.088 1.00 42.15 H new ATOM 0 HB2 CYS A 3 5.613 -6.921 -4.757 1.00 34.30 H new ATOM 0 HB3 CYS A 3 5.069 -5.976 -3.385 1.00 34.30 H new ATOM 37 N GLY A 4 5.778 -6.207 -7.125 1.00 4.44 N ATOM 38 CA GLY A 4 5.921 -6.656 -8.497 1.00 13.42 C ATOM 39 C GLY A 4 4.836 -7.633 -8.903 1.00 43.02 C ATOM 40 O GLY A 4 3.742 -7.629 -8.337 1.00 51.20 O ATOM 0 H GLY A 4 6.529 -6.497 -6.499 1.00 4.44 H new ATOM 0 HA2 GLY A 4 5.897 -5.793 -9.163 1.00 13.42 H new ATOM 0 HA3 GLY A 4 6.896 -7.128 -8.622 1.00 13.42 H new ATOM 44 N LYS A 5 5.136 -8.473 -9.888 1.00 14.14 N ATOM 45 CA LYS A 5 4.178 -9.461 -10.371 1.00 71.53 C ATOM 46 C LYS A 5 4.844 -10.441 -11.331 1.00 3.13 C ATOM 47 O LYS A 5 5.998 -10.258 -11.718 1.00 70.30 O ATOM 48 CB LYS A 5 3.005 -8.766 -11.067 1.00 45.22 C ATOM 49 CG LYS A 5 1.646 -9.195 -10.542 1.00 15.10 C ATOM 50 CD LYS A 5 0.573 -9.079 -11.612 1.00 72.00 C ATOM 51 CE LYS A 5 -0.522 -8.107 -11.200 1.00 3.34 C ATOM 52 NZ LYS A 5 -1.799 -8.374 -11.919 1.00 33.12 N1+ ATOM 0 H LYS A 5 6.036 -8.489 -10.368 1.00 14.14 H new ATOM 0 HA LYS A 5 3.805 -10.019 -9.512 1.00 71.53 H new ATOM 0 HB2 LYS A 5 3.108 -7.688 -10.945 1.00 45.22 H new ATOM 0 HB3 LYS A 5 3.054 -8.972 -12.136 1.00 45.22 H new ATOM 0 HG2 LYS A 5 1.700 -10.225 -10.189 1.00 15.10 H new ATOM 0 HG3 LYS A 5 1.375 -8.578 -9.685 1.00 15.10 H new ATOM 0 HD2 LYS A 5 1.024 -8.746 -12.547 1.00 72.00 H new ATOM 0 HD3 LYS A 5 0.138 -10.060 -11.800 1.00 72.00 H new ATOM 0 HE2 LYS A 5 -0.688 -8.181 -10.125 1.00 3.34 H new ATOM 0 HE3 LYS A 5 -0.197 -7.087 -11.403 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 -2.520 -7.691 -11.611 1.00 33.12 H new ATOM 0 HZ2 LYS A 5 -1.647 -8.279 -12.943 1.00 33.12 H new ATOM 0 HZ3 LYS A 5 -2.123 -9.339 -11.705 1.00 33.12 H new ATOM 66 N PHE A 6 4.110 -11.480 -11.713 1.00 1.44 N ATOM 67 CA PHE A 6 4.629 -12.489 -12.628 1.00 43.32 C ATOM 68 C PHE A 6 4.682 -11.952 -14.057 1.00 62.05 C ATOM 69 O PHE A 6 3.800 -11.208 -14.484 1.00 70.24 O ATOM 70 CB PHE A 6 3.763 -13.749 -12.578 1.00 24.12 C ATOM 71 CG PHE A 6 4.115 -14.761 -13.629 1.00 13.53 C ATOM 72 CD1 PHE A 6 5.417 -15.220 -13.760 1.00 75.24 C ATOM 73 CD2 PHE A 6 3.146 -15.255 -14.488 1.00 30.22 C ATOM 74 CE1 PHE A 6 5.745 -16.152 -14.727 1.00 25.35 C ATOM 75 CE2 PHE A 6 3.469 -16.188 -15.455 1.00 72.54 C ATOM 76 CZ PHE A 6 4.770 -16.635 -15.576 1.00 32.12 C ATOM 0 H PHE A 6 3.153 -11.645 -11.403 1.00 1.44 H new ATOM 0 HA PHE A 6 5.642 -12.740 -12.314 1.00 43.32 H new ATOM 0 HB2 PHE A 6 3.862 -14.209 -11.595 1.00 24.12 H new ATOM 0 HB3 PHE A 6 2.717 -13.466 -12.694 1.00 24.12 H new ATOM 0 HD1 PHE A 6 6.184 -14.845 -13.099 1.00 75.24 H new ATOM 0 HD2 PHE A 6 2.127 -14.907 -14.401 1.00 30.22 H new ATOM 0 HE1 PHE A 6 6.763 -16.502 -14.818 1.00 25.35 H new ATOM 0 HE2 PHE A 6 2.704 -16.568 -16.116 1.00 72.54 H new ATOM 0 HZ PHE A 6 5.024 -17.361 -16.334 1.00 32.12 H new ATOM 86 N MET A 7 5.724 -12.335 -14.788 1.00 43.35 N ATOM 87 CA MET A 7 5.893 -11.892 -16.167 1.00 21.13 C ATOM 88 C MET A 7 6.041 -10.375 -16.237 1.00 62.32 C ATOM 89 O MET A 7 5.807 -9.768 -17.283 1.00 44.50 O ATOM 90 CB MET A 7 4.702 -12.340 -17.017 1.00 61.22 C ATOM 91 CG MET A 7 5.031 -13.476 -17.973 1.00 50.33 C ATOM 92 SD MET A 7 3.873 -13.582 -19.351 1.00 74.33 S ATOM 93 CE MET A 7 4.947 -14.190 -20.649 1.00 44.25 C ATOM 0 H MET A 7 6.463 -12.951 -14.449 1.00 43.35 H new ATOM 0 HA MET A 7 6.803 -12.346 -16.560 1.00 21.13 H new ATOM 0 HB2 MET A 7 3.893 -12.654 -16.357 1.00 61.22 H new ATOM 0 HB3 MET A 7 4.334 -11.489 -17.590 1.00 61.22 H new ATOM 0 HG2 MET A 7 6.040 -13.338 -18.361 1.00 50.33 H new ATOM 0 HG3 MET A 7 5.026 -14.419 -17.426 1.00 50.33 H new ATOM 0 HE1 MET A 7 4.347 -14.670 -21.422 1.00 44.25 H new ATOM 0 HE2 MET A 7 5.500 -13.357 -21.084 1.00 44.25 H new ATOM 0 HE3 MET A 7 5.648 -14.913 -20.232 1.00 44.25 H new ATOM 103 N TRP A 8 6.429 -9.772 -15.121 1.00 34.43 N ATOM 104 CA TRP A 8 6.607 -8.325 -15.057 1.00 22.41 C ATOM 105 C TRP A 8 8.087 -7.961 -15.020 1.00 34.33 C ATOM 106 O TRP A 8 8.848 -8.489 -14.208 1.00 51.25 O ATOM 107 CB TRP A 8 5.899 -7.757 -13.826 1.00 44.33 C ATOM 108 CG TRP A 8 4.420 -7.601 -14.011 1.00 72.12 C ATOM 109 CD1 TRP A 8 3.614 -8.340 -14.829 1.00 44.44 C ATOM 110 CD2 TRP A 8 3.572 -6.644 -13.366 1.00 51.33 C ATOM 111 NE1 TRP A 8 2.316 -7.900 -14.732 1.00 14.23 N ATOM 112 CE2 TRP A 8 2.263 -6.862 -13.840 1.00 53.53 C ATOM 113 CE3 TRP A 8 3.790 -5.627 -12.434 1.00 73.15 C ATOM 114 CZ2 TRP A 8 1.181 -6.098 -13.412 1.00 54.31 C ATOM 115 CZ3 TRP A 8 2.714 -4.870 -12.010 1.00 13.31 C ATOM 116 CH2 TRP A 8 1.423 -5.109 -12.498 1.00 23.11 C ATOM 0 H TRP A 8 6.627 -10.261 -14.248 1.00 34.43 H new ATOM 0 HA TRP A 8 6.166 -7.889 -15.954 1.00 22.41 H new ATOM 0 HB2 TRP A 8 6.084 -8.412 -12.975 1.00 44.33 H new ATOM 0 HB3 TRP A 8 6.332 -6.787 -13.582 1.00 44.33 H new ATOM 0 HD1 TRP A 8 3.948 -9.151 -15.459 1.00 44.44 H new ATOM 0 HE1 TRP A 8 1.521 -8.284 -15.242 1.00 14.23 H new ATOM 0 HE3 TRP A 8 4.782 -5.435 -12.051 1.00 73.15 H new ATOM 0 HZ2 TRP A 8 0.185 -6.280 -13.788 1.00 54.31 H new ATOM 0 HZ3 TRP A 8 2.871 -4.081 -11.290 1.00 13.31 H new ATOM 0 HH2 TRP A 8 0.603 -4.501 -12.146 1.00 23.11 H new ATOM 127 N LYS A 9 8.491 -7.054 -15.903 1.00 21.41 N ATOM 128 CA LYS A 9 9.881 -6.618 -15.971 1.00 71.24 C ATOM 129 C LYS A 9 10.393 -6.214 -14.592 1.00 45.12 C ATOM 130 O LYS A 9 9.628 -5.746 -13.748 1.00 22.42 O ATOM 131 CB LYS A 9 10.021 -5.443 -16.942 1.00 71.41 C ATOM 132 CG LYS A 9 9.967 -5.852 -18.404 1.00 42.53 C ATOM 133 CD LYS A 9 8.542 -5.852 -18.931 1.00 21.25 C ATOM 134 CE LYS A 9 8.509 -5.943 -20.449 1.00 65.14 C ATOM 135 NZ LYS A 9 8.623 -4.603 -21.087 1.00 63.20 N1+ ATOM 0 H LYS A 9 7.875 -6.606 -16.582 1.00 21.41 H new ATOM 0 HA LYS A 9 10.480 -7.454 -16.331 1.00 71.24 H new ATOM 0 HB2 LYS A 9 9.226 -4.723 -16.745 1.00 71.41 H new ATOM 0 HB3 LYS A 9 10.966 -4.935 -16.750 1.00 71.41 H new ATOM 0 HG2 LYS A 9 10.575 -5.168 -18.997 1.00 42.53 H new ATOM 0 HG3 LYS A 9 10.399 -6.846 -18.521 1.00 42.53 H new ATOM 0 HD2 LYS A 9 7.995 -6.692 -18.503 1.00 21.25 H new ATOM 0 HD3 LYS A 9 8.034 -4.943 -18.609 1.00 21.25 H new ATOM 0 HE2 LYS A 9 9.325 -6.579 -20.793 1.00 65.14 H new ATOM 0 HE3 LYS A 9 7.580 -6.418 -20.764 1.00 65.14 H new ATOM 0 HZ1 LYS A 9 8.597 -4.708 -22.121 1.00 63.20 H new ATOM 0 HZ2 LYS A 9 7.831 -4.003 -20.779 1.00 63.20 H new ATOM 0 HZ3 LYS A 9 9.521 -4.160 -20.807 1.00 63.20 H new ATOM 149 N CYS A 10 11.690 -6.397 -14.371 1.00 44.41 N ATOM 150 CA CYS A 10 12.304 -6.052 -13.095 1.00 52.21 C ATOM 151 C CYS A 10 13.803 -5.811 -13.260 1.00 12.32 C ATOM 152 O CYS A 10 14.472 -6.500 -14.029 1.00 13.12 O ATOM 153 CB CYS A 10 12.065 -7.164 -12.072 1.00 5.43 C ATOM 154 SG CYS A 10 12.964 -8.708 -12.428 1.00 71.00 S ATOM 0 H CYS A 10 12.336 -6.782 -15.059 1.00 44.41 H new ATOM 0 HA CYS A 10 11.843 -5.132 -12.736 1.00 52.21 H new ATOM 0 HB2 CYS A 10 12.358 -6.805 -11.086 1.00 5.43 H new ATOM 0 HB3 CYS A 10 10.997 -7.380 -12.028 1.00 5.43 H new ATOM 159 N LYS A 11 14.322 -4.830 -12.531 1.00 64.42 N ATOM 160 CA LYS A 11 15.740 -4.497 -12.594 1.00 41.35 C ATOM 161 C LYS A 11 16.539 -5.334 -11.601 1.00 30.14 C ATOM 162 O LYS A 11 17.767 -5.391 -11.668 1.00 31.31 O ATOM 163 CB LYS A 11 15.949 -3.008 -12.309 1.00 1.10 C ATOM 164 CG LYS A 11 15.199 -2.095 -13.262 1.00 23.24 C ATOM 165 CD LYS A 11 15.343 -0.635 -12.865 1.00 22.43 C ATOM 166 CE LYS A 11 14.249 -0.211 -11.898 1.00 23.11 C ATOM 167 NZ LYS A 11 12.998 0.174 -12.609 1.00 11.12 N1+ ATOM 0 H LYS A 11 13.781 -4.251 -11.889 1.00 64.42 H new ATOM 0 HA LYS A 11 16.096 -4.720 -13.600 1.00 41.35 H new ATOM 0 HB2 LYS A 11 15.631 -2.794 -11.289 1.00 1.10 H new ATOM 0 HB3 LYS A 11 17.014 -2.782 -12.365 1.00 1.10 H new ATOM 0 HG2 LYS A 11 15.576 -2.236 -14.275 1.00 23.24 H new ATOM 0 HG3 LYS A 11 14.144 -2.367 -13.274 1.00 23.24 H new ATOM 0 HD2 LYS A 11 16.318 -0.476 -12.405 1.00 22.43 H new ATOM 0 HD3 LYS A 11 15.305 -0.009 -13.756 1.00 22.43 H new ATOM 0 HE2 LYS A 11 14.038 -1.028 -11.208 1.00 23.11 H new ATOM 0 HE3 LYS A 11 14.600 0.630 -11.299 1.00 23.11 H new ATOM 0 HZ1 LYS A 11 12.277 0.457 -11.915 1.00 11.12 H new ATOM 0 HZ2 LYS A 11 13.193 0.970 -13.249 1.00 11.12 H new ATOM 0 HZ3 LYS A 11 12.649 -0.636 -13.161 1.00 11.12 H new ATOM 181 N ASN A 12 15.835 -5.983 -10.678 1.00 51.45 N ATOM 182 CA ASN A 12 16.480 -6.816 -9.671 1.00 3.12 C ATOM 183 C ASN A 12 15.482 -7.793 -9.054 1.00 14.41 C ATOM 184 O ASN A 12 14.305 -7.803 -9.413 1.00 45.02 O ATOM 185 CB ASN A 12 17.100 -5.945 -8.578 1.00 2.42 C ATOM 186 CG ASN A 12 18.551 -5.604 -8.864 1.00 32.43 C ATOM 187 OD1 ASN A 12 19.425 -6.468 -8.807 1.00 31.00 O ATOM 188 ND2 ASN A 12 18.811 -4.339 -9.172 1.00 73.25 N ATOM 0 H ASN A 12 14.818 -5.947 -10.608 1.00 51.45 H new ATOM 0 HA ASN A 12 17.269 -7.388 -10.160 1.00 3.12 H new ATOM 0 HB2 ASN A 12 16.525 -5.024 -8.481 1.00 2.42 H new ATOM 0 HB3 ASN A 12 17.033 -6.464 -7.622 1.00 2.42 H new ATOM 0 HD21 ASN A 12 19.768 -4.049 -9.373 1.00 73.25 H new ATOM 0 HD22 ASN A 12 18.054 -3.657 -9.207 1.00 73.25 H new ATOM 195 N SER A 13 15.962 -8.611 -8.122 1.00 15.42 N ATOM 196 CA SER A 13 15.113 -9.593 -7.457 1.00 2.01 C ATOM 197 C SER A 13 14.254 -8.929 -6.385 1.00 64.12 C ATOM 198 O SER A 13 13.352 -9.552 -5.825 1.00 55.22 O ATOM 199 CB SER A 13 15.969 -10.695 -6.830 1.00 4.24 C ATOM 200 OG SER A 13 16.459 -10.301 -5.559 1.00 14.12 O ATOM 0 H SER A 13 16.933 -8.613 -7.811 1.00 15.42 H new ATOM 0 HA SER A 13 14.454 -10.035 -8.205 1.00 2.01 H new ATOM 0 HB2 SER A 13 15.378 -11.605 -6.729 1.00 4.24 H new ATOM 0 HB3 SER A 13 16.805 -10.929 -7.489 1.00 4.24 H new ATOM 0 HG SER A 13 17.001 -11.023 -5.179 1.00 14.12 H new ATOM 206 N ASN A 14 14.539 -7.662 -6.107 1.00 2.51 N ATOM 207 CA ASN A 14 13.793 -6.913 -5.102 1.00 2.11 C ATOM 208 C ASN A 14 12.399 -6.559 -5.612 1.00 40.21 C ATOM 209 O ASN A 14 11.461 -6.406 -4.829 1.00 72.22 O ATOM 210 CB ASN A 14 14.548 -5.639 -4.720 1.00 71.03 C ATOM 211 CG ASN A 14 15.703 -5.911 -3.776 1.00 13.31 C ATOM 212 OD1 ASN A 14 15.845 -5.252 -2.747 1.00 35.41 O ATOM 213 ND2 ASN A 14 16.533 -6.887 -4.124 1.00 13.12 N ATOM 0 H ASN A 14 15.281 -7.132 -6.563 1.00 2.51 H new ATOM 0 HA ASN A 14 13.688 -7.543 -4.219 1.00 2.11 H new ATOM 0 HB2 ASN A 14 14.926 -5.160 -5.623 1.00 71.03 H new ATOM 0 HB3 ASN A 14 13.857 -4.938 -4.252 1.00 71.03 H new ATOM 0 HD21 ASN A 14 17.328 -7.117 -3.528 1.00 13.12 H new ATOM 0 HD22 ASN A 14 16.375 -7.407 -4.987 1.00 13.12 H new ATOM 220 N ASP A 15 12.271 -6.431 -6.928 1.00 65.41 N ATOM 221 CA ASP A 15 10.993 -6.096 -7.544 1.00 74.11 C ATOM 222 C ASP A 15 9.989 -7.232 -7.363 1.00 3.03 C ATOM 223 O ASP A 15 8.778 -7.007 -7.340 1.00 52.11 O ATOM 224 CB ASP A 15 11.181 -5.798 -9.032 1.00 34.42 C ATOM 225 CG ASP A 15 10.204 -4.757 -9.542 1.00 12.24 C ATOM 226 OD1 ASP A 15 9.970 -3.761 -8.826 1.00 30.12 O ATOM 227 OD2 ASP A 15 9.673 -4.938 -10.658 1.00 11.11 O1- ATOM 0 H ASP A 15 13.038 -6.554 -7.589 1.00 65.41 H new ATOM 0 HA ASP A 15 10.602 -5.206 -7.051 1.00 74.11 H new ATOM 0 HB2 ASP A 15 12.200 -5.451 -9.204 1.00 34.42 H new ATOM 0 HB3 ASP A 15 11.057 -6.719 -9.602 1.00 34.42 H new ATOM 232 N CYS A 16 10.500 -8.452 -7.236 1.00 23.35 N ATOM 233 CA CYS A 16 9.650 -9.623 -7.059 1.00 33.41 C ATOM 234 C CYS A 16 8.859 -9.529 -5.758 1.00 13.44 C ATOM 235 O CYS A 16 9.427 -9.325 -4.685 1.00 13.33 O ATOM 236 CB CYS A 16 10.496 -10.898 -7.062 1.00 65.34 C ATOM 237 SG CYS A 16 11.280 -11.266 -8.666 1.00 62.13 S ATOM 0 H CYS A 16 11.499 -8.655 -7.252 1.00 23.35 H new ATOM 0 HA CYS A 16 8.946 -9.659 -7.891 1.00 33.41 H new ATOM 0 HB2 CYS A 16 11.272 -10.808 -6.302 1.00 65.34 H new ATOM 0 HB3 CYS A 16 9.866 -11.740 -6.776 1.00 65.34 H new ATOM 242 N CYS A 17 7.542 -9.678 -5.861 1.00 51.51 N ATOM 243 CA CYS A 17 6.670 -9.610 -4.695 1.00 14.30 C ATOM 244 C CYS A 17 6.830 -10.852 -3.823 1.00 34.03 C ATOM 245 O CYS A 17 7.344 -10.781 -2.707 1.00 53.55 O ATOM 246 CB CYS A 17 5.211 -9.463 -5.131 1.00 32.13 C ATOM 247 SG CYS A 17 4.067 -9.059 -3.772 1.00 71.00 S ATOM 0 H CYS A 17 7.055 -9.847 -6.741 1.00 51.51 H new ATOM 0 HA CYS A 17 6.956 -8.737 -4.109 1.00 14.30 H new ATOM 0 HB2 CYS A 17 5.146 -8.683 -5.890 1.00 32.13 H new ATOM 0 HB3 CYS A 17 4.888 -10.392 -5.600 1.00 32.13 H new ATOM 252 N LYS A 18 6.384 -11.993 -4.341 1.00 2.41 N ATOM 253 CA LYS A 18 6.477 -13.253 -3.613 1.00 32.05 C ATOM 254 C LYS A 18 6.422 -14.439 -4.570 1.00 15.02 C ATOM 255 O LYS A 18 5.622 -14.459 -5.505 1.00 34.32 O ATOM 256 CB LYS A 18 5.346 -13.358 -2.588 1.00 73.25 C ATOM 257 CG LYS A 18 5.772 -13.992 -1.275 1.00 5.22 C ATOM 258 CD LYS A 18 6.659 -13.060 -0.467 1.00 54.05 C ATOM 259 CE LYS A 18 5.836 -12.065 0.337 1.00 51.15 C ATOM 260 NZ LYS A 18 5.696 -10.761 -0.369 1.00 61.42 N1+ ATOM 0 H LYS A 18 5.954 -12.070 -5.263 1.00 2.41 H new ATOM 0 HA LYS A 18 7.434 -13.273 -3.092 1.00 32.05 H new ATOM 0 HB2 LYS A 18 4.953 -12.361 -2.390 1.00 73.25 H new ATOM 0 HB3 LYS A 18 4.532 -13.942 -3.017 1.00 73.25 H new ATOM 0 HG2 LYS A 18 4.888 -14.251 -0.692 1.00 5.22 H new ATOM 0 HG3 LYS A 18 6.306 -14.921 -1.475 1.00 5.22 H new ATOM 0 HD2 LYS A 18 7.285 -13.645 0.207 1.00 54.05 H new ATOM 0 HD3 LYS A 18 7.329 -12.522 -1.137 1.00 54.05 H new ATOM 0 HE2 LYS A 18 4.847 -12.482 0.528 1.00 51.15 H new ATOM 0 HE3 LYS A 18 6.307 -11.904 1.307 1.00 51.15 H new ATOM 0 HZ1 LYS A 18 6.057 -9.997 0.238 1.00 61.42 H new ATOM 0 HZ2 LYS A 18 6.240 -10.786 -1.255 1.00 61.42 H new ATOM 0 HZ3 LYS A 18 4.693 -10.588 -0.583 1.00 61.42 H new ATOM 274 N ASP A 19 7.278 -15.427 -4.329 1.00 60.05 N ATOM 275 CA ASP A 19 7.325 -16.619 -5.168 1.00 34.00 C ATOM 276 C ASP A 19 7.779 -16.270 -6.582 1.00 62.31 C ATOM 277 O ASP A 19 7.541 -17.025 -7.526 1.00 74.31 O ATOM 278 CB ASP A 19 5.952 -17.292 -5.212 1.00 44.15 C ATOM 279 CG ASP A 19 6.050 -18.794 -5.392 1.00 0.10 C ATOM 280 OD1 ASP A 19 6.776 -19.440 -4.608 1.00 21.34 O1- ATOM 281 OD2 ASP A 19 5.401 -19.325 -6.319 1.00 31.11 O ATOM 0 H ASP A 19 7.948 -15.426 -3.560 1.00 60.05 H new ATOM 0 HA ASP A 19 8.047 -17.311 -4.734 1.00 34.00 H new ATOM 0 HB2 ASP A 19 5.414 -17.074 -4.290 1.00 44.15 H new ATOM 0 HB3 ASP A 19 5.369 -16.868 -6.029 1.00 44.15 H new ATOM 286 N LEU A 20 8.434 -15.123 -6.722 1.00 15.45 N ATOM 287 CA LEU A 20 8.922 -14.674 -8.021 1.00 3.34 C ATOM 288 C LEU A 20 10.430 -14.443 -7.986 1.00 15.22 C ATOM 289 O LEU A 20 11.000 -14.155 -6.935 1.00 54.12 O ATOM 290 CB LEU A 20 8.207 -13.388 -8.439 1.00 32.33 C ATOM 291 CG LEU A 20 6.935 -13.567 -9.268 1.00 1.30 C ATOM 292 CD1 LEU A 20 6.151 -14.778 -8.789 1.00 64.44 C ATOM 293 CD2 LEU A 20 6.075 -12.313 -9.202 1.00 74.21 C ATOM 0 H LEU A 20 8.639 -14.487 -5.952 1.00 15.45 H new ATOM 0 HA LEU A 20 8.710 -15.455 -8.751 1.00 3.34 H new ATOM 0 HB2 LEU A 20 7.954 -12.827 -7.539 1.00 32.33 H new ATOM 0 HB3 LEU A 20 8.906 -12.776 -9.010 1.00 32.33 H new ATOM 0 HG LEU A 20 7.222 -13.733 -10.306 1.00 1.30 H new ATOM 0 HD11 LEU A 20 5.249 -14.889 -9.391 1.00 64.44 H new ATOM 0 HD12 LEU A 20 6.766 -15.672 -8.889 1.00 64.44 H new ATOM 0 HD13 LEU A 20 5.875 -14.642 -7.743 1.00 64.44 H new ATOM 0 HD21 LEU A 20 5.174 -12.458 -9.798 1.00 74.21 H new ATOM 0 HD22 LEU A 20 5.798 -12.116 -8.166 1.00 74.21 H new ATOM 0 HD23 LEU A 20 6.637 -11.465 -9.595 1.00 74.21 H new ATOM 305 N VAL A 21 11.069 -14.568 -9.145 1.00 12.02 N ATOM 306 CA VAL A 21 12.510 -14.370 -9.249 1.00 44.43 C ATOM 307 C VAL A 21 12.875 -13.670 -10.552 1.00 71.53 C ATOM 308 O VAL A 21 12.469 -14.096 -11.634 1.00 64.04 O ATOM 309 CB VAL A 21 13.268 -15.708 -9.167 1.00 20.32 C ATOM 310 CG1 VAL A 21 13.097 -16.336 -7.792 1.00 31.34 C ATOM 311 CG2 VAL A 21 12.793 -16.657 -10.258 1.00 70.34 C ATOM 0 H VAL A 21 10.611 -14.805 -10.025 1.00 12.02 H new ATOM 0 HA VAL A 21 12.805 -13.743 -8.408 1.00 44.43 H new ATOM 0 HB VAL A 21 14.329 -15.514 -9.322 1.00 20.32 H new ATOM 0 HG11 VAL A 21 13.640 -17.281 -7.753 1.00 31.34 H new ATOM 0 HG12 VAL A 21 13.490 -15.660 -7.032 1.00 31.34 H new ATOM 0 HG13 VAL A 21 12.039 -16.518 -7.604 1.00 31.34 H new ATOM 0 HG21 VAL A 21 13.339 -17.597 -10.185 1.00 70.34 H new ATOM 0 HG22 VAL A 21 11.726 -16.846 -10.137 1.00 70.34 H new ATOM 0 HG23 VAL A 21 12.973 -16.208 -11.235 1.00 70.34 H new ATOM 321 N CYS A 22 13.646 -12.593 -10.443 1.00 50.54 N ATOM 322 CA CYS A 22 14.068 -11.833 -11.613 1.00 71.21 C ATOM 323 C CYS A 22 14.891 -12.702 -12.559 1.00 73.43 C ATOM 324 O CYS A 22 15.999 -13.122 -12.228 1.00 44.52 O ATOM 325 CB CYS A 22 14.885 -10.611 -11.185 1.00 74.43 C ATOM 326 SG CYS A 22 14.865 -9.244 -12.390 1.00 14.40 S ATOM 0 H CYS A 22 13.991 -12.227 -9.556 1.00 50.54 H new ATOM 0 HA CYS A 22 13.174 -11.499 -12.140 1.00 71.21 H new ATOM 0 HB2 CYS A 22 14.502 -10.247 -10.232 1.00 74.43 H new ATOM 0 HB3 CYS A 22 15.917 -10.918 -11.017 1.00 74.43 H new ATOM 331 N SER A 23 14.340 -12.967 -13.740 1.00 64.24 N ATOM 332 CA SER A 23 15.019 -13.790 -14.733 1.00 31.22 C ATOM 333 C SER A 23 15.477 -12.944 -15.918 1.00 73.33 C ATOM 334 O SER A 23 14.660 -12.431 -16.681 1.00 61.23 O ATOM 335 CB SER A 23 14.095 -14.908 -15.218 1.00 40.14 C ATOM 336 OG SER A 23 14.397 -16.134 -14.574 1.00 31.01 O ATOM 0 H SER A 23 13.425 -12.623 -14.032 1.00 64.24 H new ATOM 0 HA SER A 23 15.897 -14.232 -14.263 1.00 31.22 H new ATOM 0 HB2 SER A 23 13.057 -14.637 -15.023 1.00 40.14 H new ATOM 0 HB3 SER A 23 14.196 -15.026 -16.297 1.00 40.14 H new ATOM 0 HG SER A 23 14.182 -16.880 -15.172 1.00 31.01 H new ATOM 342 N SER A 24 16.791 -12.801 -16.062 1.00 1.30 N ATOM 343 CA SER A 24 17.359 -12.014 -17.150 1.00 51.40 C ATOM 344 C SER A 24 17.098 -12.681 -18.497 1.00 24.35 C ATOM 345 O SER A 24 17.263 -12.064 -19.550 1.00 53.40 O ATOM 346 CB SER A 24 18.863 -11.829 -16.943 1.00 44.52 C ATOM 347 OG SER A 24 19.545 -13.069 -17.019 1.00 33.02 O ATOM 0 H SER A 24 17.482 -13.220 -15.439 1.00 1.30 H new ATOM 0 HA SER A 24 16.876 -11.037 -17.148 1.00 51.40 H new ATOM 0 HB2 SER A 24 19.256 -11.148 -17.698 1.00 44.52 H new ATOM 0 HB3 SER A 24 19.046 -11.369 -15.972 1.00 44.52 H new ATOM 0 HG SER A 24 20.505 -12.923 -16.885 1.00 33.02 H new ATOM 353 N ARG A 25 16.689 -13.944 -18.456 1.00 75.21 N ATOM 354 CA ARG A 25 16.406 -14.697 -19.672 1.00 43.25 C ATOM 355 C ARG A 25 15.137 -14.184 -20.345 1.00 61.22 C ATOM 356 O ARG A 25 15.113 -13.957 -21.555 1.00 1.33 O ATOM 357 CB ARG A 25 16.262 -16.187 -19.353 1.00 4.34 C ATOM 358 CG ARG A 25 15.571 -16.980 -20.451 1.00 65.22 C ATOM 359 CD ARG A 25 15.831 -18.471 -20.309 1.00 1.10 C ATOM 360 NE ARG A 25 15.336 -19.225 -21.458 1.00 14.51 N ATOM 361 CZ ARG A 25 15.999 -19.337 -22.604 1.00 61.34 C ATOM 362 NH1 ARG A 25 17.176 -18.745 -22.753 1.00 4.04 N1+ ATOM 363 NH2 ARG A 25 15.483 -20.040 -23.603 1.00 71.15 N ATOM 0 H ARG A 25 16.546 -14.468 -17.593 1.00 75.21 H new ATOM 0 HA ARG A 25 17.242 -14.559 -20.358 1.00 43.25 H new ATOM 0 HB2 ARG A 25 17.251 -16.610 -19.178 1.00 4.34 H new ATOM 0 HB3 ARG A 25 15.699 -16.299 -18.426 1.00 4.34 H new ATOM 0 HG2 ARG A 25 14.498 -16.792 -20.417 1.00 65.22 H new ATOM 0 HG3 ARG A 25 15.924 -16.639 -21.424 1.00 65.22 H new ATOM 0 HD2 ARG A 25 16.901 -18.643 -20.196 1.00 1.10 H new ATOM 0 HD3 ARG A 25 15.352 -18.838 -19.401 1.00 1.10 H new ATOM 0 HE ARG A 25 14.432 -19.691 -21.376 1.00 14.51 H new ATOM 0 HH11 ARG A 25 17.574 -18.202 -21.987 1.00 4.04 H new ATOM 0 HH12 ARG A 25 17.683 -18.832 -23.634 1.00 4.04 H new ATOM 0 HH21 ARG A 25 14.577 -20.495 -23.492 1.00 71.15 H new ATOM 0 HH22 ARG A 25 15.992 -20.126 -24.483 1.00 71.15 H new ATOM 377 N TRP A 26 14.085 -14.004 -19.554 1.00 21.33 N ATOM 378 CA TRP A 26 12.812 -13.518 -20.074 1.00 11.24 C ATOM 379 C TRP A 26 12.695 -12.008 -19.905 1.00 12.14 C ATOM 380 O TRP A 26 11.735 -11.393 -20.369 1.00 65.35 O ATOM 381 CB TRP A 26 11.649 -14.215 -19.366 1.00 62.44 C ATOM 382 CG TRP A 26 11.870 -15.684 -19.166 1.00 50.52 C ATOM 383 CD1 TRP A 26 12.323 -16.298 -18.032 1.00 3.34 C ATOM 384 CD2 TRP A 26 11.651 -16.723 -20.126 1.00 24.03 C ATOM 385 NE1 TRP A 26 12.397 -17.656 -18.231 1.00 52.52 N ATOM 386 CE2 TRP A 26 11.989 -17.942 -19.506 1.00 21.43 C ATOM 387 CE3 TRP A 26 11.198 -16.742 -21.448 1.00 45.11 C ATOM 388 CZ2 TRP A 26 11.891 -19.164 -20.165 1.00 0.31 C ATOM 389 CZ3 TRP A 26 11.101 -17.956 -22.101 1.00 40.20 C ATOM 390 CH2 TRP A 26 11.445 -19.154 -21.459 1.00 42.31 C ATOM 0 H TRP A 26 14.088 -14.187 -18.551 1.00 21.33 H new ATOM 0 HA TRP A 26 12.771 -13.749 -21.138 1.00 11.24 H new ATOM 0 HB2 TRP A 26 11.488 -13.744 -18.396 1.00 62.44 H new ATOM 0 HB3 TRP A 26 10.739 -14.068 -19.947 1.00 62.44 H new ATOM 0 HD1 TRP A 26 12.584 -15.791 -17.115 1.00 3.34 H new ATOM 0 HE1 TRP A 26 12.706 -18.340 -17.540 1.00 52.52 H new ATOM 0 HE3 TRP A 26 10.929 -15.825 -21.950 1.00 45.11 H new ATOM 0 HZ2 TRP A 26 12.157 -20.088 -19.673 1.00 0.31 H new ATOM 0 HZ3 TRP A 26 10.754 -17.982 -23.123 1.00 40.20 H new ATOM 0 HH2 TRP A 26 11.356 -20.087 -21.996 1.00 42.31 H new ATOM 401 N LYS A 27 13.678 -11.414 -19.236 1.00 43.14 N ATOM 402 CA LYS A 27 13.687 -9.974 -19.006 1.00 71.25 C ATOM 403 C LYS A 27 12.592 -9.574 -18.023 1.00 75.02 C ATOM 404 O LYS A 27 12.123 -8.436 -18.031 1.00 43.34 O ATOM 405 CB LYS A 27 13.500 -9.225 -20.326 1.00 41.51 C ATOM 406 CG LYS A 27 14.323 -9.794 -21.470 1.00 33.01 C ATOM 407 CD LYS A 27 15.811 -9.726 -21.174 1.00 24.01 C ATOM 408 CE LYS A 27 16.323 -8.295 -21.209 1.00 21.54 C ATOM 409 NZ LYS A 27 17.766 -8.229 -21.571 1.00 72.21 N1+ ATOM 0 H LYS A 27 14.479 -11.908 -18.843 1.00 43.14 H new ATOM 0 HA LYS A 27 14.652 -9.706 -18.577 1.00 71.25 H new ATOM 0 HB2 LYS A 27 12.446 -9.248 -20.601 1.00 41.51 H new ATOM 0 HB3 LYS A 27 13.769 -8.179 -20.182 1.00 41.51 H new ATOM 0 HG2 LYS A 27 14.033 -10.830 -21.648 1.00 33.01 H new ATOM 0 HG3 LYS A 27 14.107 -9.241 -22.384 1.00 33.01 H new ATOM 0 HD2 LYS A 27 16.008 -10.160 -20.194 1.00 24.01 H new ATOM 0 HD3 LYS A 27 16.356 -10.326 -21.903 1.00 24.01 H new ATOM 0 HE2 LYS A 27 15.742 -7.719 -21.929 1.00 21.54 H new ATOM 0 HE3 LYS A 27 16.172 -7.832 -20.234 1.00 21.54 H new ATOM 0 HZ1 LYS A 27 18.076 -7.236 -21.584 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 18.324 -8.757 -20.870 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 17.907 -8.648 -22.512 1.00 72.21 H new ATOM 423 N TRP A 28 12.190 -10.516 -17.176 1.00 25.15 N ATOM 424 CA TRP A 28 11.150 -10.260 -16.186 1.00 74.44 C ATOM 425 C TRP A 28 11.124 -11.358 -15.129 1.00 44.12 C ATOM 426 O TRP A 28 11.761 -12.400 -15.285 1.00 32.41 O ATOM 427 CB TRP A 28 9.784 -10.155 -16.865 1.00 20.43 C ATOM 428 CG TRP A 28 9.393 -11.398 -17.606 1.00 62.43 C ATOM 429 CD1 TRP A 28 9.304 -12.663 -17.098 1.00 11.34 C ATOM 430 CD2 TRP A 28 9.042 -11.495 -18.991 1.00 52.54 C ATOM 431 NE1 TRP A 28 8.917 -13.539 -18.083 1.00 72.13 N ATOM 432 CE2 TRP A 28 8.749 -12.848 -19.253 1.00 45.42 C ATOM 433 CE3 TRP A 28 8.943 -10.570 -20.034 1.00 64.25 C ATOM 434 CZ2 TRP A 28 8.367 -13.296 -20.515 1.00 13.35 C ATOM 435 CZ3 TRP A 28 8.564 -11.016 -21.286 1.00 13.32 C ATOM 436 CH2 TRP A 28 8.279 -12.369 -21.517 1.00 71.13 C ATOM 0 H TRP A 28 12.568 -11.463 -17.155 1.00 25.15 H new ATOM 0 HA TRP A 28 11.376 -9.314 -15.695 1.00 74.44 H new ATOM 0 HB2 TRP A 28 9.027 -9.936 -16.112 1.00 20.43 H new ATOM 0 HB3 TRP A 28 9.795 -9.315 -17.559 1.00 20.43 H new ATOM 0 HD1 TRP A 28 9.508 -12.935 -16.073 1.00 11.34 H new ATOM 0 HE1 TRP A 28 8.777 -14.542 -17.962 1.00 72.13 H new ATOM 0 HE3 TRP A 28 9.159 -9.525 -19.865 1.00 64.25 H new ATOM 0 HZ2 TRP A 28 8.148 -14.338 -20.696 1.00 13.35 H new ATOM 0 HZ3 TRP A 28 8.486 -10.310 -22.100 1.00 13.32 H new ATOM 0 HH2 TRP A 28 7.984 -12.686 -22.506 1.00 71.13 H new ATOM 447 N CYS A 29 10.383 -11.118 -14.052 1.00 34.14 N ATOM 448 CA CYS A 29 10.274 -12.087 -12.967 1.00 4.32 C ATOM 449 C CYS A 29 9.474 -13.310 -13.409 1.00 65.42 C ATOM 450 O CYS A 29 8.446 -13.186 -14.075 1.00 54.55 O ATOM 451 CB CYS A 29 9.610 -11.445 -11.746 1.00 2.32 C ATOM 452 SG CYS A 29 10.788 -10.802 -10.514 1.00 13.01 S ATOM 0 H CYS A 29 9.849 -10.261 -13.907 1.00 34.14 H new ATOM 0 HA CYS A 29 11.280 -12.409 -12.698 1.00 4.32 H new ATOM 0 HB2 CYS A 29 8.969 -10.629 -12.081 1.00 2.32 H new ATOM 0 HB3 CYS A 29 8.965 -12.181 -11.267 1.00 2.32 H new ATOM 457 N VAL A 30 9.954 -14.491 -13.033 1.00 54.32 N ATOM 458 CA VAL A 30 9.286 -15.737 -13.389 1.00 70.23 C ATOM 459 C VAL A 30 8.994 -16.576 -12.151 1.00 25.44 C ATOM 460 O VAL A 30 9.677 -16.460 -11.133 1.00 2.32 O ATOM 461 CB VAL A 30 10.132 -16.567 -14.372 1.00 41.32 C ATOM 462 CG1 VAL A 30 10.113 -15.939 -15.756 1.00 55.45 C ATOM 463 CG2 VAL A 30 11.557 -16.707 -13.860 1.00 33.45 C ATOM 0 H VAL A 30 10.804 -14.611 -12.482 1.00 54.32 H new ATOM 0 HA VAL A 30 8.346 -15.466 -13.871 1.00 70.23 H new ATOM 0 HB VAL A 30 9.697 -17.564 -14.447 1.00 41.32 H new ATOM 0 HG11 VAL A 30 10.716 -16.540 -16.436 1.00 55.45 H new ATOM 0 HG12 VAL A 30 9.087 -15.896 -16.122 1.00 55.45 H new ATOM 0 HG13 VAL A 30 10.522 -14.930 -15.703 1.00 55.45 H new ATOM 0 HG21 VAL A 30 12.141 -17.296 -14.567 1.00 33.45 H new ATOM 0 HG22 VAL A 30 12.004 -15.719 -13.755 1.00 33.45 H new ATOM 0 HG23 VAL A 30 11.548 -17.206 -12.891 1.00 33.45 H new ATOM 473 N LEU A 31 7.975 -17.425 -12.245 1.00 4.15 N ATOM 474 CA LEU A 31 7.592 -18.286 -11.131 1.00 75.23 C ATOM 475 C LEU A 31 8.772 -19.134 -10.668 1.00 50.02 C ATOM 476 O LEU A 31 9.256 -19.995 -11.401 1.00 22.54 O ATOM 477 CB LEU A 31 6.428 -19.191 -11.539 1.00 61.45 C ATOM 478 CG LEU A 31 5.054 -18.805 -10.991 1.00 2.24 C ATOM 479 CD1 LEU A 31 5.049 -18.862 -9.472 1.00 35.22 C ATOM 480 CD2 LEU A 31 4.657 -17.419 -11.477 1.00 41.33 C ATOM 0 H LEU A 31 7.400 -17.535 -13.080 1.00 4.15 H new ATOM 0 HA LEU A 31 7.278 -17.651 -10.303 1.00 75.23 H new ATOM 0 HB2 LEU A 31 6.371 -19.208 -12.627 1.00 61.45 H new ATOM 0 HB3 LEU A 31 6.654 -20.207 -11.216 1.00 61.45 H new ATOM 0 HG LEU A 31 4.322 -19.522 -11.362 1.00 2.24 H new ATOM 0 HD11 LEU A 31 4.063 -18.584 -9.101 1.00 35.22 H new ATOM 0 HD12 LEU A 31 5.288 -19.874 -9.145 1.00 35.22 H new ATOM 0 HD13 LEU A 31 5.793 -18.169 -9.079 1.00 35.22 H new ATOM 0 HD21 LEU A 31 3.676 -17.160 -11.077 1.00 41.33 H new ATOM 0 HD22 LEU A 31 5.392 -16.690 -11.136 1.00 41.33 H new ATOM 0 HD23 LEU A 31 4.618 -17.413 -12.566 1.00 41.33 H new ATOM 492 N ALA A 32 9.228 -18.884 -9.445 1.00 4.33 N ATOM 493 CA ALA A 32 10.349 -19.627 -8.881 1.00 15.15 C ATOM 494 C ALA A 32 10.051 -21.122 -8.840 1.00 55.54 C ATOM 495 O ALA A 32 8.941 -21.534 -8.505 1.00 73.11 O ATOM 496 CB ALA A 32 10.676 -19.112 -7.486 1.00 71.52 C ATOM 0 H ALA A 32 8.839 -18.173 -8.826 1.00 4.33 H new ATOM 0 HA ALA A 32 11.215 -19.474 -9.524 1.00 15.15 H new ATOM 0 HB1 ALA A 32 11.515 -19.676 -7.077 1.00 71.52 H new ATOM 0 HB2 ALA A 32 10.941 -18.056 -7.541 1.00 71.52 H new ATOM 0 HB3 ALA A 32 9.807 -19.235 -6.840 1.00 71.52 H new ATOM 502 N SER A 33 11.049 -21.930 -9.182 1.00 5.52 N ATOM 503 CA SER A 33 10.892 -23.379 -9.188 1.00 3.12 C ATOM 504 C SER A 33 10.864 -23.929 -7.765 1.00 20.44 C ATOM 505 O SER A 33 11.306 -23.282 -6.814 1.00 14.20 O ATOM 506 CB SER A 33 12.028 -24.033 -9.977 1.00 12.34 C ATOM 507 OG SER A 33 13.218 -23.269 -9.888 1.00 42.23 O ATOM 0 H SER A 33 11.975 -21.605 -9.459 1.00 5.52 H new ATOM 0 HA SER A 33 9.942 -23.614 -9.669 1.00 3.12 H new ATOM 0 HB2 SER A 33 12.208 -25.038 -9.595 1.00 12.34 H new ATOM 0 HB3 SER A 33 11.736 -24.137 -11.022 1.00 12.34 H new ATOM 0 HG SER A 33 13.929 -23.710 -10.399 1.00 42.23 H new