USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 128 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 23 GLY C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 23 GLY C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 130:sc= 0.0279 USER MOD Single : A 5 ASN : amide:sc=-0.00367 X(o=-0.0037,f=-0.0056) USER MOD Single : A 9 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 12 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-3.8!) USER MOD Single : A 13 SER OG : rot -0:sc= 1.1 USER MOD Single : A 14 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.677 4.261 6.090 1.00 0.00 N ATOM 2 CA GLY A 1 6.286 4.011 6.391 1.00 0.00 C ATOM 3 C GLY A 1 5.911 2.573 6.124 1.00 0.00 C ATOM 4 O GLY A 1 6.509 1.925 5.269 1.00 0.00 O ATOM 0 H2 GLY A 1 7.901 5.258 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.090 4.251 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.659 4.669 5.790 1.00 0.00 H new ATOM 8 N CYS A 2 4.930 2.066 6.855 1.00 0.00 N ATOM 9 CA CYS A 2 4.493 0.686 6.681 1.00 0.00 C ATOM 10 C CYS A 2 3.910 0.496 5.283 1.00 0.00 C ATOM 11 O CYS A 2 4.157 -0.513 4.630 1.00 0.00 O ATOM 12 CB CYS A 2 3.454 0.310 7.744 1.00 0.00 C ATOM 13 SG CYS A 2 3.280 -1.485 8.029 1.00 0.00 S ATOM 0 H CYS A 2 4.422 2.585 7.571 1.00 0.00 H new ATOM 0 HA CYS A 2 5.356 0.031 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.725 0.790 8.684 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.486 0.714 7.447 1.00 0.00 H new ATOM 18 N CYS A 3 3.144 1.485 4.832 1.00 0.00 N ATOM 19 CA CYS A 3 2.513 1.451 3.513 1.00 0.00 C ATOM 20 C CYS A 3 3.542 1.323 2.392 1.00 0.00 C ATOM 21 O CYS A 3 3.238 0.795 1.322 1.00 0.00 O ATOM 22 CB CYS A 3 1.669 2.707 3.308 1.00 0.00 C ATOM 23 SG CYS A 3 0.405 2.963 4.597 1.00 0.00 S ATOM 0 H CYS A 3 2.943 2.330 5.367 1.00 0.00 H new ATOM 0 HA CYS A 3 1.873 0.569 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.327 3.575 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.178 2.649 2.337 1.00 0.00 H new ATOM 28 N SER A 4 4.754 1.801 2.642 1.00 0.00 N ATOM 29 CA SER A 4 5.828 1.732 1.661 1.00 0.00 C ATOM 30 C SER A 4 6.249 0.282 1.421 1.00 0.00 C ATOM 31 O SER A 4 6.828 -0.048 0.388 1.00 0.00 O ATOM 32 CB SER A 4 7.016 2.563 2.140 1.00 0.00 C ATOM 33 OG SER A 4 6.591 3.851 2.560 1.00 0.00 O ATOM 0 H SER A 4 5.018 2.243 3.522 1.00 0.00 H new ATOM 0 HA SER A 4 5.468 2.138 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.515 2.053 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.746 2.660 1.336 1.00 0.00 H new ATOM 0 HG SER A 4 6.960 4.044 3.447 1.00 0.00 H new ATOM 39 N ASN A 5 5.930 -0.583 2.376 1.00 0.00 N ATOM 40 CA ASN A 5 6.254 -1.999 2.268 1.00 0.00 C ATOM 41 C ASN A 5 5.130 -2.727 1.549 1.00 0.00 C ATOM 42 O ASN A 5 3.964 -2.578 1.907 1.00 0.00 O ATOM 43 CB ASN A 5 6.472 -2.618 3.650 1.00 0.00 C ATOM 44 CG ASN A 5 7.774 -2.179 4.289 1.00 0.00 C ATOM 45 OD1 ASN A 5 8.854 -2.471 3.784 1.00 0.00 O ATOM 46 ND2 ASN A 5 7.680 -1.477 5.408 1.00 0.00 N ATOM 0 H ASN A 5 5.446 -0.327 3.236 1.00 0.00 H new ATOM 0 HA ASN A 5 7.178 -2.099 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.642 -2.344 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.463 -3.704 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.525 -1.158 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.763 -1.255 5.795 1.00 0.00 H new ATOM 53 N PRO A 6 5.466 -3.513 0.515 1.00 0.00 N ATOM 54 CA PRO A 6 4.486 -4.257 -0.285 1.00 0.00 C ATOM 55 C PRO A 6 3.537 -5.114 0.552 1.00 0.00 C ATOM 56 O PRO A 6 2.332 -5.128 0.306 1.00 0.00 O ATOM 57 CB PRO A 6 5.350 -5.150 -1.192 1.00 0.00 C ATOM 58 CG PRO A 6 6.738 -5.058 -0.648 1.00 0.00 C ATOM 59 CD PRO A 6 6.833 -3.721 0.023 1.00 0.00 C ATOM 0 HA PRO A 6 3.831 -3.574 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.993 -6.180 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.312 -4.810 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.934 -5.864 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.476 -5.147 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.560 -3.726 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.137 -2.939 -0.673 1.00 0.00 H new ATOM 67 N VAL A 7 4.079 -5.824 1.534 1.00 0.00 N ATOM 68 CA VAL A 7 3.270 -6.685 2.391 1.00 0.00 C ATOM 69 C VAL A 7 2.256 -5.872 3.186 1.00 0.00 C ATOM 70 O VAL A 7 1.064 -6.169 3.183 1.00 0.00 O ATOM 71 CB VAL A 7 4.153 -7.494 3.366 1.00 0.00 C ATOM 72 CG1 VAL A 7 3.309 -8.452 4.195 1.00 0.00 C ATOM 73 CG2 VAL A 7 5.234 -8.250 2.608 1.00 0.00 C ATOM 0 H VAL A 7 5.074 -5.821 1.757 1.00 0.00 H new ATOM 0 HA VAL A 7 2.739 -7.377 1.738 1.00 0.00 H new ATOM 0 HB VAL A 7 4.637 -6.793 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.953 -9.010 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.577 -7.886 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.791 -9.146 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.846 -8.814 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.770 -8.937 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.862 -7.542 2.068 1.00 0.00 H new ATOM 83 N CYS A 8 2.743 -4.838 3.855 1.00 0.00 N ATOM 84 CA CYS A 8 1.885 -3.971 4.657 1.00 0.00 C ATOM 85 C CYS A 8 0.897 -3.231 3.771 1.00 0.00 C ATOM 86 O CYS A 8 -0.263 -3.059 4.127 1.00 0.00 O ATOM 87 CB CYS A 8 2.723 -2.961 5.429 1.00 0.00 C ATOM 88 SG CYS A 8 1.821 -2.073 6.743 1.00 0.00 S ATOM 0 H CYS A 8 3.729 -4.576 3.860 1.00 0.00 H new ATOM 0 HA CYS A 8 1.336 -4.597 5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.572 -3.479 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.127 -2.232 4.727 1.00 0.00 H new ATOM 93 N HIS A 9 1.378 -2.785 2.622 1.00 0.00 N ATOM 94 CA HIS A 9 0.551 -2.047 1.673 1.00 0.00 C ATOM 95 C HIS A 9 -0.641 -2.890 1.233 1.00 0.00 C ATOM 96 O HIS A 9 -1.760 -2.394 1.164 1.00 0.00 O ATOM 97 CB HIS A 9 1.375 -1.630 0.454 1.00 0.00 C ATOM 98 CG HIS A 9 0.796 -0.467 -0.301 1.00 0.00 C ATOM 99 ND1 HIS A 9 1.462 0.173 -1.326 1.00 0.00 N ATOM 100 CD2 HIS A 9 -0.391 0.172 -0.173 1.00 0.00 C ATOM 101 CE1 HIS A 9 0.709 1.153 -1.794 1.00 0.00 C ATOM 102 NE2 HIS A 9 -0.419 1.171 -1.112 1.00 0.00 N ATOM 0 H HIS A 9 2.343 -2.921 2.320 1.00 0.00 H new ATOM 0 HA HIS A 9 0.181 -1.150 2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.383 -1.374 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.464 -2.481 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.171 -0.062 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.973 1.824 -2.598 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.189 1.823 -1.259 1.00 0.00 H new ATOM 111 N LEU A 10 -0.391 -4.159 0.940 1.00 0.00 N ATOM 112 CA LEU A 10 -1.453 -5.065 0.513 1.00 0.00 C ATOM 113 C LEU A 10 -2.403 -5.367 1.670 1.00 0.00 C ATOM 114 O LEU A 10 -3.622 -5.333 1.513 1.00 0.00 O ATOM 115 CB LEU A 10 -0.864 -6.368 -0.035 1.00 0.00 C ATOM 116 CG LEU A 10 -0.046 -6.222 -1.321 1.00 0.00 C ATOM 117 CD1 LEU A 10 0.526 -7.566 -1.742 1.00 0.00 C ATOM 118 CD2 LEU A 10 -0.898 -5.632 -2.434 1.00 0.00 C ATOM 0 H LEU A 10 0.534 -4.585 0.989 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.015 -4.574 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.230 -6.812 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.679 -7.068 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 10 0.782 -5.540 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.105 -7.444 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.172 -7.950 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.288 -8.269 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.299 -5.536 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.747 -6.287 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.260 -4.649 -2.133 1.00 0.00 H new ATOM 130 N GLU A 11 -1.835 -5.659 2.830 1.00 0.00 N ATOM 131 CA GLU A 11 -2.625 -5.968 4.016 1.00 0.00 C ATOM 132 C GLU A 11 -3.445 -4.752 4.461 1.00 0.00 C ATOM 133 O GLU A 11 -4.607 -4.872 4.846 1.00 0.00 O ATOM 134 CB GLU A 11 -1.699 -6.432 5.147 1.00 0.00 C ATOM 135 CG GLU A 11 -2.429 -6.879 6.405 1.00 0.00 C ATOM 136 CD GLU A 11 -1.482 -7.182 7.552 1.00 0.00 C ATOM 137 OE1 GLU A 11 -0.776 -6.251 8.005 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.445 -8.342 8.000 1.00 0.00 O ATOM 0 H GLU A 11 -0.826 -5.689 2.977 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.322 -6.770 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.085 -7.256 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.021 -5.618 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.128 -6.100 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.020 -7.767 6.182 1.00 0.00 H new ATOM 145 N HIS A 12 -2.828 -3.580 4.415 1.00 0.00 N ATOM 146 CA HIS A 12 -3.492 -2.347 4.827 1.00 0.00 C ATOM 147 C HIS A 12 -3.883 -1.507 3.614 1.00 0.00 C ATOM 148 O HIS A 12 -3.785 -0.282 3.654 1.00 0.00 O ATOM 149 CB HIS A 12 -2.593 -1.493 5.751 1.00 0.00 C ATOM 150 CG HIS A 12 -1.969 -2.226 6.909 1.00 0.00 C ATOM 151 ND1 HIS A 12 -1.540 -1.596 8.062 1.00 0.00 N ATOM 152 CD2 HIS A 12 -1.670 -3.531 7.074 1.00 0.00 C ATOM 153 CE1 HIS A 12 -1.010 -2.493 8.879 1.00 0.00 C ATOM 154 NE2 HIS A 12 -1.081 -3.670 8.298 1.00 0.00 N ATOM 0 H HIS A 12 -1.867 -3.455 4.096 1.00 0.00 H new ATOM 0 HA HIS A 12 -4.386 -2.643 5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.796 -1.055 5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.186 -0.667 6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.862 -4.323 6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.592 -2.292 9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.749 -4.548 8.698 1.00 0.00 H new ATOM 163 N SER A 13 -4.318 -2.156 2.539 1.00 0.00 N ATOM 164 CA SER A 13 -4.708 -1.442 1.321 1.00 0.00 C ATOM 165 C SER A 13 -5.852 -0.465 1.577 1.00 0.00 C ATOM 166 O SER A 13 -5.914 0.597 0.966 1.00 0.00 O ATOM 167 CB SER A 13 -5.099 -2.425 0.218 1.00 0.00 C ATOM 168 OG SER A 13 -3.969 -3.141 -0.244 1.00 0.00 O ATOM 0 H SER A 13 -4.410 -3.170 2.483 1.00 0.00 H new ATOM 0 HA SER A 13 -3.841 -0.867 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.847 -3.122 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.556 -1.885 -0.611 1.00 0.00 H new ATOM 0 HG SER A 13 -3.172 -2.844 0.243 1.00 0.00 H new ATOM 174 N ASN A 14 -6.751 -0.835 2.477 1.00 0.00 N ATOM 175 CA ASN A 14 -7.898 0.005 2.809 1.00 0.00 C ATOM 176 C ASN A 14 -7.462 1.331 3.432 1.00 0.00 C ATOM 177 O ASN A 14 -7.994 2.387 3.100 1.00 0.00 O ATOM 178 CB ASN A 14 -8.840 -0.754 3.756 1.00 0.00 C ATOM 179 CG ASN A 14 -10.037 0.068 4.207 1.00 0.00 C ATOM 180 OD1 ASN A 14 -9.914 0.975 5.023 1.00 0.00 O ATOM 181 ND2 ASN A 14 -11.209 -0.254 3.679 1.00 0.00 N ATOM 0 H ASN A 14 -6.710 -1.714 2.993 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.428 0.239 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.195 -1.655 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.279 -1.076 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.048 0.259 3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.272 -1.015 3.003 1.00 0.00 H new ATOM 188 N LEU A 15 -6.504 1.262 4.343 1.00 0.00 N ATOM 189 CA LEU A 15 -6.013 2.454 5.031 1.00 0.00 C ATOM 190 C LEU A 15 -4.950 3.195 4.223 1.00 0.00 C ATOM 191 O LEU A 15 -4.983 4.418 4.111 1.00 0.00 O ATOM 192 CB LEU A 15 -5.442 2.089 6.411 1.00 0.00 C ATOM 193 CG LEU A 15 -6.459 1.619 7.464 1.00 0.00 C ATOM 194 CD1 LEU A 15 -7.652 2.562 7.523 1.00 0.00 C ATOM 195 CD2 LEU A 15 -6.911 0.190 7.195 1.00 0.00 C ATOM 0 H LEU A 15 -6.048 0.394 4.626 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.869 3.118 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.699 1.303 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.917 2.959 6.806 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.964 1.634 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.358 2.209 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.312 3.563 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.142 2.590 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.630 -0.114 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.379 0.135 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.049 -0.476 7.224 1.00 0.00 H new ATOM 207 N CYS A 16 -3.995 2.452 3.694 1.00 0.00 N ATOM 208 CA CYS A 16 -2.899 3.039 2.927 1.00 0.00 C ATOM 209 C CYS A 16 -3.358 3.566 1.572 1.00 0.00 C ATOM 210 O CYS A 16 -2.875 4.602 1.109 1.00 0.00 O ATOM 211 CB CYS A 16 -1.781 2.016 2.721 1.00 0.00 C ATOM 212 SG CYS A 16 -0.946 1.486 4.254 1.00 0.00 S ATOM 0 H CYS A 16 -3.952 1.436 3.779 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.526 3.883 3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.196 1.138 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.038 2.440 2.046 1.00 0.00 H new ATOM 217 N GLY A 17 -4.266 2.845 0.924 1.00 0.00 N ATOM 218 CA GLY A 17 -4.736 3.258 -0.382 1.00 0.00 C ATOM 219 C GLY A 17 -3.598 3.303 -1.381 1.00 0.00 C ATOM 220 O GLY A 17 -2.812 2.358 -1.479 1.00 0.00 O ATOM 0 H GLY A 17 -4.683 1.985 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.504 2.567 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.201 4.241 -0.311 1.00 0.00 H new ATOM 224 N ALA A 18 -3.483 4.407 -2.101 1.00 0.00 N ATOM 225 CA ALA A 18 -2.410 4.571 -3.071 1.00 0.00 C ATOM 226 C ALA A 18 -1.214 5.267 -2.428 1.00 0.00 C ATOM 227 O ALA A 18 -0.283 5.687 -3.111 1.00 0.00 O ATOM 228 CB ALA A 18 -2.901 5.355 -4.279 1.00 0.00 C ATOM 0 H ALA A 18 -4.118 5.202 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.093 3.584 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.087 5.469 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.725 4.819 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.243 6.339 -3.959 1.00 0.00 H new ATOM 234 N GLY A 19 -1.254 5.387 -1.108 1.00 0.00 N ATOM 235 CA GLY A 19 -0.182 6.035 -0.382 1.00 0.00 C ATOM 236 C GLY A 19 0.988 5.114 -0.103 1.00 0.00 C ATOM 237 O GLY A 19 0.805 3.962 0.298 1.00 0.00 O ATOM 0 H GLY A 19 -2.017 5.044 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.168 6.895 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.570 6.417 0.563 1.00 0.00 H new ATOM 241 N GLY A 20 2.189 5.631 -0.309 1.00 0.00 N ATOM 242 CA GLY A 20 3.397 4.868 -0.069 1.00 0.00 C ATOM 243 C GLY A 20 4.619 5.606 -0.559 1.00 0.00 C ATOM 244 O GLY A 20 4.754 5.860 -1.755 1.00 0.00 O ATOM 0 H GLY A 20 2.350 6.581 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.496 4.665 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.326 3.903 -0.572 1.00 0.00 H new ATOM 248 N ALA A 21 5.496 5.954 0.371 1.00 0.00 N ATOM 249 CA ALA A 21 6.723 6.681 0.062 1.00 0.00 C ATOM 250 C ALA A 21 7.540 6.904 1.326 1.00 0.00 C ATOM 251 O ALA A 21 6.977 7.125 2.397 1.00 0.00 O ATOM 252 CB ALA A 21 6.412 8.024 -0.591 1.00 0.00 C ATOM 0 H ALA A 21 5.379 5.741 1.362 1.00 0.00 H new ATOM 0 HA ALA A 21 7.302 6.078 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.343 8.546 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.861 7.859 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.810 8.628 0.088 1.00 0.00 H new ATOM 258 N ALA A 22 8.865 6.844 1.186 1.00 0.00 N ATOM 259 CA ALA A 22 9.787 7.043 2.306 1.00 0.00 C ATOM 260 C ALA A 22 9.522 6.056 3.437 1.00 0.00 C ATOM 261 O ALA A 22 9.036 4.946 3.211 1.00 0.00 O ATOM 262 CB ALA A 22 9.705 8.481 2.809 1.00 0.00 C ATOM 0 H ALA A 22 9.328 6.657 0.297 1.00 0.00 H new ATOM 0 HA ALA A 22 10.798 6.855 1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.395 8.615 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.972 9.164 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.689 8.692 3.143 1.00 0.00 H new ATOM 268 N GLY A 23 9.848 6.470 4.650 1.00 0.00 N ATOM 269 CA GLY A 23 9.643 5.625 5.807 1.00 0.00 C ATOM 270 C GLY A 23 8.176 5.483 6.154 1.00 0.00 C ATOM 271 O GLY A 23 7.508 6.465 6.467 1.00 0.00 O ATOM 0 H GLY A 23 10.254 7.383 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.067 4.639 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.178 6.042 6.660 1.00 0.00 H new TER 275 GLY A 23