USER MOD reduce.3.24.130724 H: found=0, std=0, add=125, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 124 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 4 THR OG1 : rot 160:sc= -5.23! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot -91:sc= -2.02! USER MOD Single : A 9 THR OG1 : rot 101:sc= 0.657 USER MOD Single : A 10 GLN : amide:sc= -2.36! K(o=-2.4!,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -9.279 -24.141 -0.699 1.00 0.00 N ATOM 50 CA THR A 4 -8.079 -24.475 0.102 1.00 0.00 C ATOM 51 C THR A 4 -7.653 -23.251 0.894 1.00 0.00 C ATOM 52 O THR A 4 -7.379 -22.210 0.348 1.00 0.00 O ATOM 53 CB THR A 4 -7.011 -24.895 -0.908 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.752 -24.980 -0.259 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.948 -23.867 -2.027 1.00 0.00 C ATOM 0 HA THR A 4 -8.257 -25.275 0.821 1.00 0.00 H new ATOM 0 HB THR A 4 -7.263 -25.870 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.147 -25.539 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.188 -24.162 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.917 -23.809 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.694 -22.892 -1.611 1.00 0.00 H new ATOM 63 N ALA A 5 -7.611 -23.378 2.186 1.00 0.00 N ATOM 64 CA ALA A 5 -7.209 -22.235 3.062 1.00 0.00 C ATOM 65 C ALA A 5 -6.041 -21.439 2.454 1.00 0.00 C ATOM 66 O ALA A 5 -5.793 -20.312 2.834 1.00 0.00 O ATOM 67 CB ALA A 5 -6.782 -22.888 4.376 1.00 0.00 C ATOM 0 H ALA A 5 -7.841 -24.237 2.686 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.023 -21.522 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.470 -22.117 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.620 -23.445 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.951 -23.569 4.191 1.00 0.00 H new ATOM 73 N THR A 6 -5.336 -21.997 1.503 1.00 0.00 N ATOM 74 CA THR A 6 -4.215 -21.250 0.871 1.00 0.00 C ATOM 75 C THR A 6 -4.809 -20.249 -0.108 1.00 0.00 C ATOM 76 O THR A 6 -4.280 -19.182 -0.343 1.00 0.00 O ATOM 77 CB THR A 6 -3.408 -22.310 0.121 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.270 -21.702 -0.475 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.287 -22.938 -0.966 1.00 0.00 C ATOM 0 H THR A 6 -5.491 -22.937 1.139 1.00 0.00 H new ATOM 0 HA THR A 6 -3.595 -20.709 1.586 1.00 0.00 H new ATOM 0 HB THR A 6 -3.081 -23.084 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.750 -22.380 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.716 -23.695 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.160 -23.401 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.612 -22.165 -1.663 1.00 0.00 H new ATOM 87 N CYS A 7 -5.929 -20.605 -0.662 1.00 0.00 N ATOM 88 CA CYS A 7 -6.620 -19.716 -1.620 1.00 0.00 C ATOM 89 C CYS A 7 -7.469 -18.712 -0.842 1.00 0.00 C ATOM 90 O CYS A 7 -7.595 -17.567 -1.212 1.00 0.00 O ATOM 91 CB CYS A 7 -7.493 -20.671 -2.446 1.00 0.00 C ATOM 92 SG CYS A 7 -8.986 -21.116 -1.523 1.00 0.00 S ATOM 0 H CYS A 7 -6.401 -21.492 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.948 -19.137 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.768 -20.199 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.928 -21.570 -2.692 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.760 -22.188 -0.824 1.00 0.00 H new ATOM 97 N ALA A 8 -8.045 -19.146 0.245 1.00 0.00 N ATOM 98 CA ALA A 8 -8.882 -18.229 1.060 1.00 0.00 C ATOM 99 C ALA A 8 -8.016 -17.110 1.625 1.00 0.00 C ATOM 100 O ALA A 8 -8.385 -15.959 1.593 1.00 0.00 O ATOM 101 CB ALA A 8 -9.454 -19.096 2.183 1.00 0.00 C ATOM 0 H ALA A 8 -7.970 -20.098 0.602 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.675 -17.759 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.085 -18.485 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.047 -19.903 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.637 -19.518 2.769 1.00 0.00 H new ATOM 107 N THR A 9 -6.859 -17.435 2.128 1.00 0.00 N ATOM 108 CA THR A 9 -5.975 -16.371 2.672 1.00 0.00 C ATOM 109 C THR A 9 -5.334 -15.611 1.510 1.00 0.00 C ATOM 110 O THR A 9 -5.127 -14.416 1.575 1.00 0.00 O ATOM 111 CB THR A 9 -4.913 -17.102 3.495 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.452 -18.317 3.993 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.475 -16.220 4.666 1.00 0.00 C ATOM 0 H THR A 9 -6.490 -18.384 2.186 1.00 0.00 H new ATOM 0 HA THR A 9 -6.514 -15.647 3.283 1.00 0.00 H new ATOM 0 HB THR A 9 -4.052 -17.319 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.140 -19.064 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.718 -16.742 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.059 -15.288 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.335 -16.001 5.298 1.00 0.00 H new ATOM 121 N GLN A 10 -5.018 -16.300 0.444 1.00 0.00 N ATOM 122 CA GLN A 10 -4.391 -15.618 -0.721 1.00 0.00 C ATOM 123 C GLN A 10 -5.453 -14.919 -1.586 1.00 0.00 C ATOM 124 O GLN A 10 -5.163 -13.999 -2.335 1.00 0.00 O ATOM 125 CB GLN A 10 -3.708 -16.736 -1.512 1.00 0.00 C ATOM 126 CG GLN A 10 -2.656 -16.135 -2.446 1.00 0.00 C ATOM 127 CD GLN A 10 -1.566 -15.454 -1.615 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.539 -16.042 -1.341 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.749 -14.232 -1.200 1.00 0.00 N ATOM 0 H GLN A 10 -5.168 -17.303 0.332 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.690 -14.844 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.240 -17.445 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.447 -17.291 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.219 -16.915 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.120 -15.413 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.612 -13.739 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.030 -13.769 -0.645 1.00 0.00 H new ATOM 138 N ARG A 11 -6.689 -15.311 -1.464 1.00 0.00 N ATOM 139 CA ARG A 11 -7.746 -14.645 -2.264 1.00 0.00 C ATOM 140 C ARG A 11 -8.203 -13.458 -1.456 1.00 0.00 C ATOM 141 O ARG A 11 -8.367 -12.358 -1.947 1.00 0.00 O ATOM 142 CB ARG A 11 -8.859 -15.682 -2.421 1.00 0.00 C ATOM 143 CG ARG A 11 -9.935 -15.137 -3.359 1.00 0.00 C ATOM 144 CD ARG A 11 -9.278 -14.615 -4.640 1.00 0.00 C ATOM 145 NE ARG A 11 -8.425 -15.740 -5.115 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.295 -15.495 -5.724 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.184 -14.453 -6.501 1.00 0.00 N ATOM 148 NH2 ARG A 11 -6.277 -16.295 -5.554 1.00 0.00 N ATOM 0 H ARG A 11 -7.010 -16.059 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.424 -14.302 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.451 -16.611 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.293 -15.915 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.654 -15.920 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.488 -14.336 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.025 -14.343 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.683 -13.723 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.724 -16.704 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.980 -13.829 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.302 -14.263 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.365 -17.110 -4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.394 -16.105 -6.029 1.00 0.00 H new ATOM 162 N LEU A 12 -8.341 -13.681 -0.191 1.00 0.00 N ATOM 163 CA LEU A 12 -8.710 -12.591 0.722 1.00 0.00 C ATOM 164 C LEU A 12 -7.688 -11.469 0.570 1.00 0.00 C ATOM 165 O LEU A 12 -7.995 -10.301 0.706 1.00 0.00 O ATOM 166 CB LEU A 12 -8.611 -13.241 2.095 1.00 0.00 C ATOM 167 CG LEU A 12 -9.973 -13.804 2.523 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.855 -12.666 3.039 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.664 -14.478 1.331 1.00 0.00 C ATOM 0 H LEU A 12 -8.211 -14.590 0.254 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.694 -12.159 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.871 -14.041 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.267 -12.509 2.826 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.820 -14.541 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.823 -13.065 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.373 -12.191 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.999 -11.930 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.629 -14.874 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.813 -13.747 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.041 -15.293 0.962 1.00 0.00 H new ATOM 181 N ALA A 13 -6.468 -11.828 0.266 1.00 0.00 N ATOM 182 CA ALA A 13 -5.412 -10.802 0.078 1.00 0.00 C ATOM 183 C ALA A 13 -5.705 -10.010 -1.198 1.00 0.00 C ATOM 184 O ALA A 13 -5.438 -8.828 -1.293 1.00 0.00 O ATOM 185 CB ALA A 13 -4.110 -11.591 -0.057 1.00 0.00 C ATOM 0 H ALA A 13 -6.161 -12.793 0.140 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.359 -10.089 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.279 -10.900 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.944 -12.177 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.177 -12.260 -0.915 1.00 0.00 H new ATOM 191 N ASN A 14 -6.271 -10.663 -2.174 1.00 0.00 N ATOM 192 CA ASN A 14 -6.613 -9.969 -3.447 1.00 0.00 C ATOM 193 C ASN A 14 -7.528 -8.790 -3.137 1.00 0.00 C ATOM 194 O ASN A 14 -7.307 -7.683 -3.588 1.00 0.00 O ATOM 195 CB ASN A 14 -7.349 -11.015 -4.286 1.00 0.00 C ATOM 196 CG ASN A 14 -7.279 -10.628 -5.765 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.294 -10.469 -6.412 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.114 -10.467 -6.331 1.00 0.00 N ATOM 0 H ASN A 14 -6.513 -11.653 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.738 -9.583 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.902 -11.997 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.389 -11.086 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.057 -10.208 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.261 -10.600 -5.788 1.00 0.00 H new ATOM 205 N PHE A 15 -8.543 -9.010 -2.343 1.00 0.00 N ATOM 206 CA PHE A 15 -9.446 -7.888 -1.981 1.00 0.00 C ATOM 207 C PHE A 15 -8.679 -6.955 -1.060 1.00 0.00 C ATOM 208 O PHE A 15 -8.976 -5.785 -0.949 1.00 0.00 O ATOM 209 CB PHE A 15 -10.638 -8.502 -1.239 1.00 0.00 C ATOM 210 CG PHE A 15 -10.994 -9.840 -1.837 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.211 -9.957 -3.214 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.103 -10.962 -1.011 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.538 -11.200 -3.765 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.431 -12.204 -1.561 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.648 -12.325 -2.940 1.00 0.00 C ATOM 0 H PHE A 15 -8.781 -9.913 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.791 -7.331 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.396 -8.621 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.495 -7.831 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.126 -9.089 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.934 -10.869 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.706 -11.292 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.517 -13.071 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.900 -13.285 -3.366 1.00 0.00 H new ATOM 225 N LEU A 16 -7.667 -7.462 -0.409 1.00 0.00 N ATOM 226 CA LEU A 16 -6.874 -6.580 0.484 1.00 0.00 C ATOM 227 C LEU A 16 -6.476 -5.343 -0.307 1.00 0.00 C ATOM 228 O LEU A 16 -6.405 -4.251 0.217 1.00 0.00 O ATOM 229 CB LEU A 16 -5.646 -7.394 0.879 1.00 0.00 C ATOM 230 CG LEU A 16 -5.335 -7.161 2.357 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.345 -7.923 3.214 1.00 0.00 C ATOM 232 CD2 LEU A 16 -3.924 -7.663 2.666 1.00 0.00 C ATOM 0 H LEU A 16 -7.361 -8.434 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.421 -6.257 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.825 -8.454 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.792 -7.105 0.267 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.398 -6.096 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.125 -7.758 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.351 -7.567 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.280 -8.988 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.701 -7.497 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.860 -8.728 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.203 -7.122 2.053 1.00 0.00 H new ATOM 244 N VAL A 17 -6.235 -5.510 -1.579 1.00 0.00 N ATOM 245 CA VAL A 17 -5.861 -4.341 -2.426 1.00 0.00 C ATOM 246 C VAL A 17 -7.120 -3.709 -3.040 1.00 0.00 C ATOM 247 O VAL A 17 -7.377 -2.529 -2.885 1.00 0.00 O ATOM 248 CB VAL A 17 -4.954 -4.910 -3.517 1.00 0.00 C ATOM 249 CG1 VAL A 17 -4.608 -3.811 -4.522 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.666 -5.437 -2.880 1.00 0.00 C ATOM 0 H VAL A 17 -6.281 -6.404 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.361 -3.560 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.470 -5.721 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.961 -4.219 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.524 -3.431 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.092 -2.999 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.017 -5.844 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.154 -4.623 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.909 -6.221 -2.163 1.00 0.00 H new ATOM 260 N HIS A 18 -7.906 -4.488 -3.735 1.00 0.00 N ATOM 261 CA HIS A 18 -9.147 -3.942 -4.362 1.00 0.00 C ATOM 262 C HIS A 18 -10.093 -3.400 -3.288 1.00 0.00 C ATOM 263 O HIS A 18 -10.710 -2.369 -3.454 1.00 0.00 O ATOM 264 CB HIS A 18 -9.777 -5.136 -5.082 1.00 0.00 C ATOM 265 CG HIS A 18 -9.134 -5.297 -6.431 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.785 -5.927 -7.500 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.902 -4.915 -6.911 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.948 -5.905 -8.557 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.812 -5.305 -8.232 1.00 0.00 N ATOM 0 H HIS A 18 -7.742 -5.482 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.939 -3.115 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.644 -6.043 -4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.850 -4.983 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.137 -4.399 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.172 -6.318 -9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.013 -5.158 -8.849 1.00 0.00 H new ATOM 277 N SER A 19 -10.195 -4.082 -2.182 1.00 0.00 N ATOM 278 CA SER A 19 -11.082 -3.607 -1.088 1.00 0.00 C ATOM 279 C SER A 19 -10.354 -2.523 -0.300 1.00 0.00 C ATOM 280 O SER A 19 -10.958 -1.604 0.215 1.00 0.00 O ATOM 281 CB SER A 19 -11.341 -4.833 -0.213 1.00 0.00 C ATOM 282 OG SER A 19 -12.725 -4.899 0.105 1.00 0.00 O ATOM 0 H SER A 19 -9.699 -4.952 -1.989 1.00 0.00 H new ATOM 0 HA SER A 19 -12.017 -3.182 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.032 -5.739 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.749 -4.774 0.700 1.00 0.00 H new ATOM 0 HG SER A 19 -12.895 -5.685 0.665 1.00 0.00 H new ATOM 288 N SER A 20 -9.052 -2.616 -0.220 1.00 0.00 N ATOM 289 CA SER A 20 -8.283 -1.577 0.517 1.00 0.00 C ATOM 290 C SER A 20 -8.803 -0.208 0.110 1.00 0.00 C ATOM 291 O SER A 20 -9.014 0.662 0.931 1.00 0.00 O ATOM 292 CB SER A 20 -6.832 -1.749 0.075 1.00 0.00 C ATOM 293 OG SER A 20 -6.261 -0.470 -0.170 1.00 0.00 O ATOM 0 H SER A 20 -8.493 -3.363 -0.632 1.00 0.00 H new ATOM 0 HA SER A 20 -8.377 -1.669 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.265 -2.272 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.784 -2.360 -0.826 1.00 0.00 H new ATOM 0 HG SER A 20 -5.329 -0.577 -0.452 1.00 0.00 H new