USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 130 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: X 1 GLY H1 : X 1 GLY N : X 22 GLY C :(NH2R) USER MOD NoAdj-H: X 1 GLY H2 : X 1 GLY N : X 22 GLY C :(NH2R) USER MOD Single : X 1 GLY N :NH3+ -139:sc= 0 (180deg=-0.382) USER MOD Single : X 2 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-3.2) USER MOD Single : X 4 SER OG : rot -30:sc= 0.0552 USER MOD Single : X 9 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= 0.288 K(o=0.29,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 4.506 -3.709 -3.583 1.00 0.00 N ATOM 2 CA GLY X 1 3.445 -3.554 -4.559 1.00 0.00 C ATOM 3 C GLY X 1 2.967 -2.118 -4.667 1.00 0.00 C ATOM 4 O GLY X 1 3.767 -1.188 -4.750 1.00 0.00 O ATOM 0 H3 GLY X 1 5.227 -4.359 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY X 1 3.799 -3.891 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY X 1 2.606 -4.194 -4.285 1.00 0.00 H new ATOM 8 N HIS X 2 1.654 -1.929 -4.642 1.00 0.00 N ATOM 9 CA HIS X 2 1.071 -0.591 -4.724 1.00 0.00 C ATOM 10 C HIS X 2 1.134 0.100 -3.354 1.00 0.00 C ATOM 11 O HIS X 2 0.410 1.057 -3.097 1.00 0.00 O ATOM 12 CB HIS X 2 -0.385 -0.696 -5.210 1.00 0.00 C ATOM 13 CG HIS X 2 -0.982 0.592 -5.709 1.00 0.00 C ATOM 14 ND1 HIS X 2 -2.334 0.754 -5.926 1.00 0.00 N ATOM 15 CD2 HIS X 2 -0.409 1.775 -6.042 1.00 0.00 C ATOM 16 CE1 HIS X 2 -2.565 1.976 -6.370 1.00 0.00 C ATOM 17 NE2 HIS X 2 -1.416 2.622 -6.449 1.00 0.00 N ATOM 0 H HIS X 2 0.971 -2.683 -4.566 1.00 0.00 H new ATOM 0 HA HIS X 2 1.640 0.009 -5.434 1.00 0.00 H new ATOM 0 HB2 HIS X 2 -0.433 -1.435 -6.009 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -1.000 -1.071 -4.392 1.00 0.00 H new ATOM 0 HD2 HIS X 2 0.644 2.010 -5.996 1.00 0.00 H new ATOM 0 HE1 HIS X 2 -3.533 2.380 -6.626 1.00 0.00 H new ATOM 0 HE2 HIS X 2 -1.295 3.586 -6.759 1.00 0.00 H new ATOM 26 N CYS X 3 2.008 -0.401 -2.487 1.00 0.00 N ATOM 27 CA CYS X 3 2.180 0.136 -1.137 1.00 0.00 C ATOM 28 C CYS X 3 2.753 1.549 -1.159 1.00 0.00 C ATOM 29 O CYS X 3 2.664 2.279 -0.176 1.00 0.00 O ATOM 30 CB CYS X 3 3.084 -0.790 -0.325 1.00 0.00 C ATOM 31 SG CYS X 3 2.605 -2.546 -0.433 1.00 0.00 S ATOM 0 H CYS X 3 2.618 -1.191 -2.698 1.00 0.00 H new ATOM 0 HA CYS X 3 1.198 0.190 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS X 3 4.111 -0.679 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS X 3 3.065 -0.479 0.720 1.00 0.00 H new ATOM 36 N SER X 4 3.339 1.935 -2.285 1.00 0.00 N ATOM 37 CA SER X 4 3.910 3.267 -2.427 1.00 0.00 C ATOM 38 C SER X 4 2.798 4.318 -2.463 1.00 0.00 C ATOM 39 O SER X 4 3.039 5.505 -2.250 1.00 0.00 O ATOM 40 CB SER X 4 4.764 3.345 -3.697 1.00 0.00 C ATOM 41 OG SER X 4 5.430 4.591 -3.798 1.00 0.00 O ATOM 0 H SER X 4 3.431 1.345 -3.112 1.00 0.00 H new ATOM 0 HA SER X 4 4.549 3.469 -1.568 1.00 0.00 H new ATOM 0 HB2 SER X 4 5.497 2.538 -3.694 1.00 0.00 H new ATOM 0 HB3 SER X 4 4.131 3.197 -4.572 1.00 0.00 H new ATOM 0 HG SER X 4 4.892 5.285 -3.363 1.00 0.00 H new ATOM 47 N ASP X 5 1.580 3.861 -2.738 1.00 0.00 N ATOM 48 CA ASP X 5 0.419 4.740 -2.808 1.00 0.00 C ATOM 49 C ASP X 5 -0.221 4.879 -1.431 1.00 0.00 C ATOM 50 O ASP X 5 -0.646 3.888 -0.837 1.00 0.00 O ATOM 51 CB ASP X 5 -0.600 4.160 -3.785 1.00 0.00 C ATOM 52 CG ASP X 5 -1.590 5.179 -4.313 1.00 0.00 C ATOM 53 OD1 ASP X 5 -2.266 5.850 -3.506 1.00 0.00 O ATOM 54 OD2 ASP X 5 -1.715 5.284 -5.553 1.00 0.00 O ATOM 0 H ASP X 5 1.371 2.879 -2.917 1.00 0.00 H new ATOM 0 HA ASP X 5 0.740 5.724 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -0.070 3.713 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -1.148 3.358 -3.291 1.00 0.00 H new ATOM 59 N PRO X 6 -0.304 6.109 -0.908 1.00 0.00 N ATOM 60 CA PRO X 6 -0.900 6.375 0.406 1.00 0.00 C ATOM 61 C PRO X 6 -2.363 5.942 0.478 1.00 0.00 C ATOM 62 O PRO X 6 -2.856 5.547 1.534 1.00 0.00 O ATOM 63 CB PRO X 6 -0.790 7.898 0.556 1.00 0.00 C ATOM 64 CG PRO X 6 0.268 8.308 -0.410 1.00 0.00 C ATOM 65 CD PRO X 6 0.177 7.340 -1.553 1.00 0.00 C ATOM 0 HA PRO X 6 -0.395 5.819 1.196 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -1.739 8.386 0.332 1.00 0.00 H new ATOM 0 HB3 PRO X 6 -0.522 8.175 1.575 1.00 0.00 H new ATOM 0 HG2 PRO X 6 0.111 9.331 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO X 6 1.254 8.274 0.053 1.00 0.00 H new ATOM 0 HD2 PRO X 6 -0.512 7.688 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO X 6 1.144 7.192 -2.034 1.00 0.00 H new ATOM 73 N ARG X 7 -3.047 6.021 -0.655 1.00 0.00 N ATOM 74 CA ARG X 7 -4.452 5.644 -0.737 1.00 0.00 C ATOM 75 C ARG X 7 -4.627 4.139 -0.615 1.00 0.00 C ATOM 76 O ARG X 7 -5.508 3.668 0.099 1.00 0.00 O ATOM 77 CB ARG X 7 -5.040 6.125 -2.059 1.00 0.00 C ATOM 78 CG ARG X 7 -4.951 7.626 -2.243 1.00 0.00 C ATOM 79 CD ARG X 7 -5.212 8.026 -3.683 1.00 0.00 C ATOM 80 NE ARG X 7 -4.218 7.457 -4.593 1.00 0.00 N ATOM 81 CZ ARG X 7 -4.184 7.687 -5.904 1.00 0.00 C ATOM 82 NH1 ARG X 7 -5.091 8.481 -6.468 1.00 0.00 N ATOM 83 NH2 ARG X 7 -3.245 7.122 -6.650 1.00 0.00 N ATOM 0 H ARG X 7 -2.648 6.345 -1.536 1.00 0.00 H new ATOM 0 HA ARG X 7 -4.978 6.116 0.092 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -4.519 5.634 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -6.085 5.820 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -5.674 8.117 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -3.963 7.973 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -6.207 7.694 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -5.201 9.113 -3.766 1.00 0.00 H new ATOM 0 HE ARG X 7 -3.505 6.844 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -5.815 8.915 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -5.062 8.655 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -2.550 6.512 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -3.218 7.297 -7.654 1.00 0.00 H new ATOM 97 N PHE X 8 -3.782 3.398 -1.324 1.00 0.00 N ATOM 98 CA PHE X 8 -3.838 1.936 -1.315 1.00 0.00 C ATOM 99 C PHE X 8 -3.640 1.384 0.093 1.00 0.00 C ATOM 100 O PHE X 8 -4.278 0.410 0.487 1.00 0.00 O ATOM 101 CB PHE X 8 -2.780 1.350 -2.253 1.00 0.00 C ATOM 102 CG PHE X 8 -2.915 -0.134 -2.456 1.00 0.00 C ATOM 103 CD1 PHE X 8 -4.055 -0.666 -3.038 1.00 0.00 C ATOM 104 CD2 PHE X 8 -1.905 -0.997 -2.062 1.00 0.00 C ATOM 105 CE1 PHE X 8 -4.183 -2.028 -3.223 1.00 0.00 C ATOM 106 CE2 PHE X 8 -2.029 -2.360 -2.245 1.00 0.00 C ATOM 107 CZ PHE X 8 -3.168 -2.876 -2.826 1.00 0.00 C ATOM 0 H PHE X 8 -3.047 3.785 -1.915 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.828 1.643 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.847 1.849 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.790 1.565 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.852 -0.008 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -1.010 -0.599 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -5.076 -2.430 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -1.234 -3.022 -1.933 1.00 0.00 H new ATOM 0 HZ PHE X 8 -3.266 -3.942 -2.970 1.00 0.00 H new ATOM 117 N ASN X 9 -2.752 2.012 0.852 1.00 0.00 N ATOM 118 CA ASN X 9 -2.479 1.583 2.220 1.00 0.00 C ATOM 119 C ASN X 9 -3.690 1.822 3.110 1.00 0.00 C ATOM 120 O ASN X 9 -3.832 1.205 4.162 1.00 0.00 O ATOM 121 CB ASN X 9 -1.267 2.317 2.796 1.00 0.00 C ATOM 122 CG ASN X 9 0.029 1.935 2.113 1.00 0.00 C ATOM 123 OD1 ASN X 9 0.412 0.766 2.081 1.00 0.00 O ATOM 124 ND2 ASN X 9 0.717 2.922 1.568 1.00 0.00 N ATOM 0 H ASN X 9 -2.209 2.819 0.546 1.00 0.00 H new ATOM 0 HA ASN X 9 -2.261 0.515 2.192 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -1.420 3.392 2.700 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -1.189 2.100 3.861 1.00 0.00 H new ATOM 0 HD21 ASN X 9 1.601 2.729 1.098 1.00 0.00 H new ATOM 0 HD22 ASN X 9 0.364 3.878 1.617 1.00 0.00 H new ATOM 131 N TYR X 10 -4.553 2.733 2.689 1.00 0.00 N ATOM 132 CA TYR X 10 -5.743 3.064 3.448 1.00 0.00 C ATOM 133 C TYR X 10 -6.935 2.202 3.031 1.00 0.00 C ATOM 134 O TYR X 10 -7.690 1.729 3.881 1.00 0.00 O ATOM 135 CB TYR X 10 -6.082 4.548 3.268 1.00 0.00 C ATOM 136 CG TYR X 10 -7.255 5.013 4.100 1.00 0.00 C ATOM 137 CD1 TYR X 10 -7.290 4.792 5.471 1.00 0.00 C ATOM 138 CD2 TYR X 10 -8.329 5.670 3.514 1.00 0.00 C ATOM 139 CE1 TYR X 10 -8.362 5.212 6.234 1.00 0.00 C ATOM 140 CE2 TYR X 10 -9.405 6.094 4.270 1.00 0.00 C ATOM 141 CZ TYR X 10 -9.417 5.863 5.629 1.00 0.00 C ATOM 142 OH TYR X 10 -10.486 6.283 6.385 1.00 0.00 O ATOM 0 H TYR X 10 -4.448 3.258 1.821 1.00 0.00 H new ATOM 0 HA TYR X 10 -5.536 2.862 4.499 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -5.207 5.144 3.526 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -6.298 4.737 2.216 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -6.465 4.283 5.948 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -8.323 5.853 2.450 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -8.374 5.032 7.299 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -10.232 6.604 3.799 1.00 0.00 H new ATOM 0 HH TYR X 10 -11.142 6.725 5.807 1.00 0.00 H new ATOM 152 N ASP X 11 -7.119 2.024 1.726 1.00 0.00 N ATOM 153 CA ASP X 11 -8.248 1.246 1.219 1.00 0.00 C ATOM 154 C ASP X 11 -7.985 -0.261 1.290 1.00 0.00 C ATOM 155 O ASP X 11 -8.914 -1.045 1.485 1.00 0.00 O ATOM 156 CB ASP X 11 -8.628 1.691 -0.206 1.00 0.00 C ATOM 157 CG ASP X 11 -7.912 0.938 -1.313 1.00 0.00 C ATOM 158 OD1 ASP X 11 -6.668 0.879 -1.299 1.00 0.00 O ATOM 159 OD2 ASP X 11 -8.605 0.417 -2.214 1.00 0.00 O ATOM 0 H ASP X 11 -6.507 2.404 1.004 1.00 0.00 H new ATOM 0 HA ASP X 11 -9.100 1.445 1.869 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -9.703 1.568 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -8.414 2.755 -0.310 1.00 0.00 H new ATOM 164 N HIS X 12 -6.727 -0.674 1.142 1.00 0.00 N ATOM 165 CA HIS X 12 -6.383 -2.097 1.204 1.00 0.00 C ATOM 166 C HIS X 12 -5.086 -2.349 1.976 1.00 0.00 C ATOM 167 O HIS X 12 -4.137 -2.921 1.431 1.00 0.00 O ATOM 168 CB HIS X 12 -6.255 -2.703 -0.197 1.00 0.00 C ATOM 169 CG HIS X 12 -7.559 -2.879 -0.908 1.00 0.00 C ATOM 170 ND1 HIS X 12 -8.578 -3.681 -0.440 1.00 0.00 N ATOM 171 CD2 HIS X 12 -8.013 -2.334 -2.054 1.00 0.00 C ATOM 172 CE1 HIS X 12 -9.600 -3.614 -1.267 1.00 0.00 C ATOM 173 NE2 HIS X 12 -9.288 -2.801 -2.260 1.00 0.00 N ATOM 0 H HIS X 12 -5.935 -0.052 0.980 1.00 0.00 H new ATOM 0 HA HIS X 12 -7.202 -2.580 1.736 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -5.608 -2.065 -0.799 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.763 -3.672 -0.118 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -8.545 -4.239 0.413 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -7.472 -1.653 -2.694 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -10.538 -4.137 -1.152 1.00 0.00 H new ATOM 182 N PRO X 13 -5.026 -1.967 3.269 1.00 0.00 N ATOM 183 CA PRO X 13 -3.839 -2.196 4.103 1.00 0.00 C ATOM 184 C PRO X 13 -3.581 -3.688 4.276 1.00 0.00 C ATOM 185 O PRO X 13 -2.461 -4.126 4.532 1.00 0.00 O ATOM 186 CB PRO X 13 -4.203 -1.560 5.449 1.00 0.00 C ATOM 187 CG PRO X 13 -5.693 -1.504 5.461 1.00 0.00 C ATOM 188 CD PRO X 13 -6.114 -1.321 4.030 1.00 0.00 C ATOM 0 HA PRO X 13 -2.934 -1.775 3.665 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -3.824 -2.154 6.281 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -3.770 -0.564 5.545 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -6.114 -2.419 5.877 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -6.047 -0.680 6.080 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -7.077 -1.791 3.831 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.214 -0.267 3.772 1.00 0.00 H new ATOM 196 N GLU X 14 -4.655 -4.445 4.123 1.00 0.00 N ATOM 197 CA GLU X 14 -4.655 -5.895 4.238 1.00 0.00 C ATOM 198 C GLU X 14 -3.635 -6.548 3.303 1.00 0.00 C ATOM 199 O GLU X 14 -2.921 -7.468 3.698 1.00 0.00 O ATOM 200 CB GLU X 14 -6.061 -6.396 3.907 1.00 0.00 C ATOM 201 CG GLU X 14 -6.582 -5.845 2.586 1.00 0.00 C ATOM 202 CD GLU X 14 -8.077 -5.984 2.416 1.00 0.00 C ATOM 203 OE1 GLU X 14 -8.732 -6.531 3.319 1.00 0.00 O ATOM 204 OE2 GLU X 14 -8.591 -5.526 1.373 1.00 0.00 O ATOM 0 H GLU X 14 -5.575 -4.059 3.910 1.00 0.00 H new ATOM 0 HA GLU X 14 -4.371 -6.167 5.255 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -6.054 -7.485 3.865 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.742 -6.112 4.709 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -6.313 -4.791 2.511 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -6.083 -6.360 1.766 1.00 0.00 H new ATOM 211 N ILE X 15 -3.588 -6.078 2.062 1.00 0.00 N ATOM 212 CA ILE X 15 -2.680 -6.633 1.068 1.00 0.00 C ATOM 213 C ILE X 15 -1.220 -6.364 1.418 1.00 0.00 C ATOM 214 O ILE X 15 -0.432 -7.296 1.548 1.00 0.00 O ATOM 215 CB ILE X 15 -2.988 -6.074 -0.339 1.00 0.00 C ATOM 216 CG1 ILE X 15 -4.438 -6.390 -0.720 1.00 0.00 C ATOM 217 CG2 ILE X 15 -2.023 -6.651 -1.369 1.00 0.00 C ATOM 218 CD1 ILE X 15 -4.851 -5.853 -2.074 1.00 0.00 C ATOM 0 H ILE X 15 -4.169 -5.313 1.721 1.00 0.00 H new ATOM 0 HA ILE X 15 -2.838 -7.712 1.066 1.00 0.00 H new ATOM 0 HB ILE X 15 -2.857 -4.992 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -4.578 -7.471 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -5.101 -5.977 0.041 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -2.256 -6.245 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE X 15 -1.001 -6.384 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -2.121 -7.736 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -5.890 -6.119 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -4.746 -4.768 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -4.215 -6.285 -2.846 1.00 0.00 H new ATOM 230 N CYS X 16 -0.865 -5.096 1.572 1.00 0.00 N ATOM 231 CA CYS X 16 0.511 -4.729 1.898 1.00 0.00 C ATOM 232 C CYS X 16 0.934 -5.268 3.261 1.00 0.00 C ATOM 233 O CYS X 16 2.087 -5.655 3.448 1.00 0.00 O ATOM 234 CB CYS X 16 0.695 -3.213 1.833 1.00 0.00 C ATOM 235 SG CYS X 16 0.653 -2.550 0.135 1.00 0.00 S ATOM 0 H CYS X 16 -1.504 -4.307 1.478 1.00 0.00 H new ATOM 0 HA CYS X 16 1.158 -5.190 1.151 1.00 0.00 H new ATOM 0 HB2 CYS X 16 -0.088 -2.734 2.421 1.00 0.00 H new ATOM 0 HB3 CYS X 16 1.647 -2.950 2.294 1.00 0.00 H new ATOM 240 N GLY X 17 -0.001 -5.294 4.203 1.00 0.00 N ATOM 241 CA GLY X 17 0.298 -5.794 5.530 1.00 0.00 C ATOM 242 C GLY X 17 0.502 -7.298 5.552 1.00 0.00 C ATOM 243 O GLY X 17 1.385 -7.797 6.246 1.00 0.00 O ATOM 0 H GLY X 17 -0.962 -4.977 4.071 1.00 0.00 H new ATOM 0 HA2 GLY X 17 1.196 -5.303 5.906 1.00 0.00 H new ATOM 0 HA3 GLY X 17 -0.516 -5.531 6.206 1.00 0.00 H new ATOM 247 N GLY X 18 -0.325 -8.016 4.798 1.00 0.00 N ATOM 248 CA GLY X 18 -0.225 -9.462 4.751 1.00 0.00 C ATOM 249 C GLY X 18 0.946 -9.945 3.918 1.00 0.00 C ATOM 250 O GLY X 18 1.764 -10.735 4.389 1.00 0.00 O ATOM 0 H GLY X 18 -1.064 -7.620 4.218 1.00 0.00 H new ATOM 0 HA2 GLY X 18 -0.126 -9.848 5.766 1.00 0.00 H new ATOM 0 HA3 GLY X 18 -1.149 -9.872 4.343 1.00 0.00 H new ATOM 254 N ALA X 19 1.028 -9.470 2.677 1.00 0.00 N ATOM 255 CA ALA X 19 2.103 -9.857 1.775 1.00 0.00 C ATOM 256 C ALA X 19 2.085 -9.005 0.513 1.00 0.00 C ATOM 257 O ALA X 19 1.081 -8.948 -0.195 1.00 0.00 O ATOM 258 CB ALA X 19 1.993 -11.332 1.405 1.00 0.00 C ATOM 0 H ALA X 19 0.358 -8.814 2.275 1.00 0.00 H new ATOM 0 HA ALA X 19 3.048 -9.694 2.294 1.00 0.00 H new ATOM 0 HB1 ALA X 19 2.806 -11.600 0.730 1.00 0.00 H new ATOM 0 HB2 ALA X 19 2.056 -11.939 2.308 1.00 0.00 H new ATOM 0 HB3 ALA X 19 1.038 -11.513 0.912 1.00 0.00 H new ATOM 264 N ALA X 20 3.208 -8.357 0.230 1.00 0.00 N ATOM 265 CA ALA X 20 3.334 -7.514 -0.950 1.00 0.00 C ATOM 266 C ALA X 20 4.797 -7.204 -1.228 1.00 0.00 C ATOM 267 O ALA X 20 5.262 -7.315 -2.362 1.00 0.00 O ATOM 268 CB ALA X 20 2.546 -6.221 -0.774 1.00 0.00 C ATOM 0 H ALA X 20 4.049 -8.400 0.806 1.00 0.00 H new ATOM 0 HA ALA X 20 2.923 -8.056 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA X 20 2.653 -5.605 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA X 20 1.493 -6.455 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA X 20 2.928 -5.677 0.090 1.00 0.00 H new ATOM 274 N GLY X 21 5.518 -6.817 -0.182 1.00 0.00 N ATOM 275 CA GLY X 21 6.930 -6.495 -0.317 1.00 0.00 C ATOM 276 C GLY X 21 7.166 -5.128 -0.935 1.00 0.00 C ATOM 277 O GLY X 21 7.835 -4.284 -0.345 1.00 0.00 O ATOM 0 H GLY X 21 5.149 -6.719 0.764 1.00 0.00 H new ATOM 0 HA2 GLY X 21 7.402 -6.531 0.665 1.00 0.00 H new ATOM 0 HA3 GLY X 21 7.414 -7.255 -0.931 1.00 0.00 H new ATOM 281 N GLY X 22 6.616 -4.912 -2.121 1.00 0.00 N ATOM 282 CA GLY X 22 6.784 -3.644 -2.798 1.00 0.00 C ATOM 283 C GLY X 22 5.768 -3.448 -3.901 1.00 0.00 C ATOM 284 O GLY X 22 6.116 -3.071 -5.016 1.00 0.00 O ATOM 0 H GLY X 22 6.054 -5.596 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY X 22 6.694 -2.833 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY X 22 7.789 -3.588 -3.217 1.00 0.00 H new TER 288 GLY X 22