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 31:sc= 0.758 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 82:sc= 0.787 USER MOD Single : A 10 GLN : amide:sc= -4.56! C(o=-4.6!,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) 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 -8.812 -23.719 0.013 1.00 0.00 N ATOM 50 CA THR A 4 -7.530 -23.860 0.743 1.00 0.00 C ATOM 51 C THR A 4 -7.165 -22.524 1.370 1.00 0.00 C ATOM 52 O THR A 4 -6.916 -21.555 0.683 1.00 0.00 O ATOM 53 CB THR A 4 -6.510 -24.254 -0.326 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.105 -25.181 -1.226 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.292 -24.896 0.338 1.00 0.00 C ATOM 0 HA THR A 4 -7.573 -24.597 1.545 1.00 0.00 H new ATOM 0 HB THR A 4 -6.195 -23.365 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.065 -24.999 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.567 -25.176 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.837 -24.185 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.603 -25.785 0.886 1.00 0.00 H new ATOM 63 N ALA A 5 -7.138 -22.470 2.671 1.00 0.00 N ATOM 64 CA ALA A 5 -6.786 -21.200 3.367 1.00 0.00 C ATOM 65 C ALA A 5 -5.670 -20.485 2.607 1.00 0.00 C ATOM 66 O ALA A 5 -5.558 -19.276 2.639 1.00 0.00 O ATOM 67 CB ALA A 5 -6.309 -21.622 4.757 1.00 0.00 C ATOM 0 H ALA A 5 -7.346 -23.256 3.287 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.628 -20.510 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.031 -20.738 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.111 -22.151 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.444 -22.278 4.661 1.00 0.00 H new ATOM 73 N THR A 6 -4.856 -21.222 1.899 1.00 0.00 N ATOM 74 CA THR A 6 -3.773 -20.572 1.119 1.00 0.00 C ATOM 75 C THR A 6 -4.405 -19.762 -0.012 1.00 0.00 C ATOM 76 O THR A 6 -4.058 -18.625 -0.238 1.00 0.00 O ATOM 77 CB THR A 6 -2.911 -21.716 0.574 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.651 -21.202 0.166 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.604 -22.373 -0.619 1.00 0.00 C ATOM 0 H THR A 6 -4.896 -22.239 1.830 1.00 0.00 H new ATOM 0 HA THR A 6 -3.167 -19.889 1.714 1.00 0.00 H new ATOM 0 HB THR A 6 -2.769 -22.461 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.097 -21.932 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.983 -23.185 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.569 -22.771 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.755 -21.633 -1.405 1.00 0.00 H new ATOM 87 N CYS A 7 -5.360 -20.331 -0.701 1.00 0.00 N ATOM 88 CA CYS A 7 -6.041 -19.578 -1.792 1.00 0.00 C ATOM 89 C CYS A 7 -7.017 -18.588 -1.168 1.00 0.00 C ATOM 90 O CYS A 7 -7.016 -17.413 -1.478 1.00 0.00 O ATOM 91 CB CYS A 7 -6.791 -20.627 -2.612 1.00 0.00 C ATOM 92 SG CYS A 7 -7.475 -19.850 -4.099 1.00 0.00 S ATOM 0 H CYS A 7 -5.696 -21.283 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.345 -19.018 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.118 -21.438 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.591 -21.066 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.112 -20.740 -4.800 1.00 0.00 H new ATOM 97 N ALA A 8 -7.839 -19.055 -0.269 1.00 0.00 N ATOM 98 CA ALA A 8 -8.800 -18.140 0.399 1.00 0.00 C ATOM 99 C ALA A 8 -8.031 -16.942 0.945 1.00 0.00 C ATOM 100 O ALA A 8 -8.364 -15.803 0.688 1.00 0.00 O ATOM 101 CB ALA A 8 -9.413 -18.959 1.535 1.00 0.00 C ATOM 0 H ALA A 8 -7.885 -20.029 0.030 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.572 -17.763 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.135 -18.347 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.915 -19.834 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.626 -19.280 2.218 1.00 0.00 H new ATOM 107 N THR A 9 -6.983 -17.195 1.680 1.00 0.00 N ATOM 108 CA THR A 9 -6.174 -16.074 2.219 1.00 0.00 C ATOM 109 C THR A 9 -5.638 -15.244 1.054 1.00 0.00 C ATOM 110 O THR A 9 -5.705 -14.030 1.060 1.00 0.00 O ATOM 111 CB THR A 9 -5.031 -16.738 2.988 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.564 -17.459 4.091 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.065 -15.667 3.495 1.00 0.00 C ATOM 0 H THR A 9 -6.655 -18.128 1.928 1.00 0.00 H new ATOM 0 HA THR A 9 -6.746 -15.406 2.863 1.00 0.00 H new ATOM 0 HB THR A 9 -4.496 -17.422 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.880 -18.336 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 -16.141 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.659 -15.113 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.596 -14.982 4.156 1.00 0.00 H new ATOM 121 N GLN A 10 -5.111 -15.888 0.044 1.00 0.00 N ATOM 122 CA GLN A 10 -4.587 -15.131 -1.114 1.00 0.00 C ATOM 123 C GLN A 10 -5.744 -14.499 -1.892 1.00 0.00 C ATOM 124 O GLN A 10 -5.555 -13.613 -2.703 1.00 0.00 O ATOM 125 CB GLN A 10 -3.853 -16.158 -1.983 1.00 0.00 C ATOM 126 CG GLN A 10 -2.590 -15.530 -2.584 1.00 0.00 C ATOM 127 CD GLN A 10 -2.902 -14.110 -3.057 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.205 -13.893 -4.213 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.837 -13.130 -2.201 1.00 0.00 N ATOM 0 H GLN A 10 -5.025 -16.902 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.924 -14.323 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.586 -17.029 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.509 -16.508 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.792 -15.510 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.233 -16.133 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.582 -13.316 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.041 -12.177 -2.501 1.00 0.00 H new ATOM 138 N ARG A 11 -6.948 -14.914 -1.614 1.00 0.00 N ATOM 139 CA ARG A 11 -8.115 -14.309 -2.307 1.00 0.00 C ATOM 140 C ARG A 11 -8.560 -13.159 -1.441 1.00 0.00 C ATOM 141 O ARG A 11 -8.642 -12.022 -1.861 1.00 0.00 O ATOM 142 CB ARG A 11 -9.181 -15.406 -2.365 1.00 0.00 C ATOM 143 CG ARG A 11 -9.967 -15.284 -3.672 1.00 0.00 C ATOM 144 CD ARG A 11 -9.290 -16.126 -4.758 1.00 0.00 C ATOM 145 NE ARG A 11 -8.173 -15.281 -5.265 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.160 -15.836 -5.872 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.319 -16.374 -7.051 1.00 0.00 N ATOM 148 NH2 ARG A 11 -5.986 -15.853 -5.301 1.00 0.00 N ATOM 0 H ARG A 11 -7.173 -15.644 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.908 -13.947 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.712 -16.388 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.855 -15.318 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.993 -15.620 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.015 -14.241 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.919 -17.068 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.989 -16.376 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.200 -14.269 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.236 -16.361 -7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.527 -16.808 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.861 -15.432 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.194 -16.287 -5.776 1.00 0.00 H new ATOM 162 N LEU A 12 -8.777 -13.457 -0.201 1.00 0.00 N ATOM 163 CA LEU A 12 -9.139 -12.403 0.760 1.00 0.00 C ATOM 164 C LEU A 12 -8.106 -11.289 0.653 1.00 0.00 C ATOM 165 O LEU A 12 -8.428 -10.119 0.629 1.00 0.00 O ATOM 166 CB LEU A 12 -9.056 -13.107 2.107 1.00 0.00 C ATOM 167 CG LEU A 12 -10.430 -13.655 2.492 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.662 -14.992 1.787 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.486 -13.860 4.008 1.00 0.00 C ATOM 0 H LEU A 12 -8.718 -14.397 0.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.119 -11.955 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.331 -13.920 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.705 -12.412 2.870 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.203 -12.948 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.642 -15.383 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.619 -14.846 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.891 -15.701 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.465 -14.251 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.714 -14.568 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.320 -12.907 4.510 1.00 0.00 H new ATOM 181 N ALA A 13 -6.860 -11.658 0.552 1.00 0.00 N ATOM 182 CA ALA A 13 -5.796 -10.634 0.403 1.00 0.00 C ATOM 183 C ALA A 13 -6.022 -9.900 -0.916 1.00 0.00 C ATOM 184 O ALA A 13 -5.735 -8.726 -1.050 1.00 0.00 O ATOM 185 CB ALA A 13 -4.484 -11.417 0.373 1.00 0.00 C ATOM 0 H ALA A 13 -6.535 -12.625 0.566 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.789 -9.896 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.649 -10.724 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.373 -11.976 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.493 -12.109 -0.469 1.00 0.00 H new ATOM 191 N ASN A 14 -6.563 -10.589 -1.886 1.00 0.00 N ATOM 192 CA ASN A 14 -6.843 -9.946 -3.197 1.00 0.00 C ATOM 193 C ASN A 14 -7.669 -8.687 -2.959 1.00 0.00 C ATOM 194 O ASN A 14 -7.309 -7.610 -3.383 1.00 0.00 O ATOM 195 CB ASN A 14 -7.644 -10.979 -3.991 1.00 0.00 C ATOM 196 CG ASN A 14 -7.509 -10.690 -5.487 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.419 -10.169 -6.101 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.405 -11.010 -6.103 1.00 0.00 N ATOM 0 H ASN A 14 -6.823 -11.573 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.939 -9.655 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.282 -11.983 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.693 -10.946 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.305 -10.823 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.641 -11.447 -5.587 1.00 0.00 H new ATOM 205 N PHE A 15 -8.760 -8.805 -2.250 1.00 0.00 N ATOM 206 CA PHE A 15 -9.570 -7.593 -1.964 1.00 0.00 C ATOM 207 C PHE A 15 -8.692 -6.628 -1.177 1.00 0.00 C ATOM 208 O PHE A 15 -8.916 -5.434 -1.155 1.00 0.00 O ATOM 209 CB PHE A 15 -10.757 -8.050 -1.108 1.00 0.00 C ATOM 210 CG PHE A 15 -11.267 -9.390 -1.586 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.447 -9.626 -2.954 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.553 -10.398 -0.657 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.916 -10.870 -3.392 1.00 0.00 C ATOM 214 CE2 PHE A 15 -12.023 -11.641 -1.095 1.00 0.00 C ATOM 215 CZ PHE A 15 -12.203 -11.878 -2.463 1.00 0.00 C ATOM 0 H PHE A 15 -9.119 -9.677 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.926 -7.100 -2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.454 -8.121 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.556 -7.310 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.224 -8.849 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.411 -10.216 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.057 -11.053 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.247 -12.417 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.563 -12.838 -2.802 1.00 0.00 H new ATOM 225 N LEU A 16 -7.674 -7.150 -0.541 1.00 0.00 N ATOM 226 CA LEU A 16 -6.753 -6.276 0.238 1.00 0.00 C ATOM 227 C LEU A 16 -5.837 -5.526 -0.728 1.00 0.00 C ATOM 228 O LEU A 16 -5.536 -4.365 -0.549 1.00 0.00 O ATOM 229 CB LEU A 16 -5.945 -7.228 1.118 1.00 0.00 C ATOM 230 CG LEU A 16 -5.923 -6.705 2.554 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.319 -6.836 3.165 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.927 -7.525 3.377 1.00 0.00 C ATOM 0 H LEU A 16 -7.443 -8.143 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.280 -5.533 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.384 -8.225 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.928 -7.316 0.737 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.623 -5.657 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.304 -6.463 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.029 -6.255 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.620 -7.884 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.909 -7.154 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.229 -8.572 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.932 -7.434 2.941 1.00 0.00 H new ATOM 244 N VAL A 17 -5.405 -6.183 -1.765 1.00 0.00 N ATOM 245 CA VAL A 17 -4.524 -5.506 -2.753 1.00 0.00 C ATOM 246 C VAL A 17 -5.386 -4.821 -3.816 1.00 0.00 C ATOM 247 O VAL A 17 -5.071 -3.759 -4.303 1.00 0.00 O ATOM 248 CB VAL A 17 -3.687 -6.624 -3.377 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.581 -6.012 -4.238 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.056 -7.472 -2.268 1.00 0.00 C ATOM 0 H VAL A 17 -5.623 -7.158 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.894 -4.741 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.327 -7.253 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.984 -6.808 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.027 -5.408 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.943 -5.383 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.460 -8.268 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.417 -6.843 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.842 -7.909 -1.652 1.00 0.00 H new ATOM 260 N HIS A 18 -6.475 -5.429 -4.178 1.00 0.00 N ATOM 261 CA HIS A 18 -7.361 -4.825 -5.213 1.00 0.00 C ATOM 262 C HIS A 18 -8.151 -3.644 -4.643 1.00 0.00 C ATOM 263 O HIS A 18 -8.167 -2.566 -5.203 1.00 0.00 O ATOM 264 CB HIS A 18 -8.316 -5.950 -5.605 1.00 0.00 C ATOM 265 CG HIS A 18 -7.694 -6.783 -6.690 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.285 -6.929 -7.950 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.537 -7.527 -6.726 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.487 -7.734 -8.683 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.433 -8.107 -7.974 1.00 0.00 N ATOM 0 H HIS A 18 -6.794 -6.322 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.791 -4.439 -6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.538 -6.571 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.263 -5.534 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.831 -7.638 -5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.681 -8.032 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.679 -8.715 -8.293 1.00 0.00 H new ATOM 277 N SER A 19 -8.833 -3.849 -3.553 1.00 0.00 N ATOM 278 CA SER A 19 -9.654 -2.749 -2.971 1.00 0.00 C ATOM 279 C SER A 19 -8.876 -1.929 -1.934 1.00 0.00 C ATOM 280 O SER A 19 -9.128 -0.755 -1.752 1.00 0.00 O ATOM 281 CB SER A 19 -10.839 -3.458 -2.315 1.00 0.00 C ATOM 282 OG SER A 19 -12.005 -2.660 -2.468 1.00 0.00 O ATOM 0 H SER A 19 -8.859 -4.729 -3.039 1.00 0.00 H new ATOM 0 HA SER A 19 -9.957 -2.035 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.991 -4.436 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.636 -3.628 -1.258 1.00 0.00 H new ATOM 0 HG SER A 19 -12.768 -3.112 -2.050 1.00 0.00 H new ATOM 288 N SER A 20 -7.963 -2.532 -1.226 1.00 0.00 N ATOM 289 CA SER A 20 -7.222 -1.766 -0.179 1.00 0.00 C ATOM 290 C SER A 20 -5.935 -1.124 -0.716 1.00 0.00 C ATOM 291 O SER A 20 -5.486 -0.122 -0.197 1.00 0.00 O ATOM 292 CB SER A 20 -6.901 -2.792 0.904 1.00 0.00 C ATOM 293 OG SER A 20 -7.439 -2.351 2.143 1.00 0.00 O ATOM 0 H SER A 20 -7.698 -3.512 -1.323 1.00 0.00 H new ATOM 0 HA SER A 20 -7.822 -0.934 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.320 -3.762 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.822 -2.923 0.989 1.00 0.00 H new ATOM 0 HG SER A 20 -7.236 -3.009 2.840 1.00 0.00 H new