USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, 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 Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 2 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-3.9!) USER MOD Single : X 4 SER OG : rot 180:sc= 0.0301 USER MOD Single : X 9 ASN :FLIP amide:sc= -0.141 F(o=-0.91!,f=-0.14) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= 0.43 K(o=0.43,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 0.913 -5.154 -5.454 1.00 0.00 N ATOM 2 CA GLY X 1 -0.074 -4.207 -4.989 1.00 0.00 C ATOM 3 C GLY X 1 0.217 -2.788 -5.426 1.00 0.00 C ATOM 4 O GLY X 1 0.563 -2.539 -6.579 1.00 0.00 O ATOM 0 H2 GLY X 1 0.661 -6.108 -5.124 1.00 0.00 H new ATOM 0 H3 GLY X 1 0.942 -5.143 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY X 1 -1.056 -4.502 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY X 1 -0.121 -4.244 -3.901 1.00 0.00 H new ATOM 8 N HIS X 2 0.056 -1.854 -4.500 1.00 0.00 N ATOM 9 CA HIS X 2 0.271 -0.440 -4.778 1.00 0.00 C ATOM 10 C HIS X 2 0.530 0.292 -3.458 1.00 0.00 C ATOM 11 O HIS X 2 0.118 1.432 -3.265 1.00 0.00 O ATOM 12 CB HIS X 2 -0.979 0.101 -5.507 1.00 0.00 C ATOM 13 CG HIS X 2 -0.923 1.533 -5.963 1.00 0.00 C ATOM 14 ND1 HIS X 2 0.059 2.037 -6.789 1.00 0.00 N ATOM 15 CD2 HIS X 2 -1.773 2.560 -5.726 1.00 0.00 C ATOM 16 CE1 HIS X 2 -0.191 3.313 -7.034 1.00 0.00 C ATOM 17 NE2 HIS X 2 -1.299 3.656 -6.400 1.00 0.00 N ATOM 0 H HIS X 2 -0.226 -2.052 -3.540 1.00 0.00 H new ATOM 0 HA HIS X 2 1.139 -0.283 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS X 2 -1.164 -0.527 -6.378 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -1.837 -0.012 -4.844 1.00 0.00 H new ATOM 0 HD2 HIS X 2 -2.664 2.523 -5.116 1.00 0.00 H new ATOM 0 HE1 HIS X 2 0.410 3.966 -7.650 1.00 0.00 H new ATOM 0 HE2 HIS X 2 -1.729 4.581 -6.410 1.00 0.00 H new ATOM 26 N CYS X 3 1.214 -0.404 -2.549 1.00 0.00 N ATOM 27 CA CYS X 3 1.538 0.120 -1.216 1.00 0.00 C ATOM 28 C CYS X 3 2.406 1.376 -1.267 1.00 0.00 C ATOM 29 O CYS X 3 2.483 2.118 -0.292 1.00 0.00 O ATOM 30 CB CYS X 3 2.230 -0.961 -0.387 1.00 0.00 C ATOM 31 SG CYS X 3 1.269 -2.502 -0.258 1.00 0.00 S ATOM 0 H CYS X 3 1.561 -1.349 -2.714 1.00 0.00 H new ATOM 0 HA CYS X 3 0.596 0.405 -0.747 1.00 0.00 H new ATOM 0 HB2 CYS X 3 3.200 -1.183 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS X 3 2.419 -0.575 0.615 1.00 0.00 H new ATOM 36 N SER X 4 3.051 1.617 -2.401 1.00 0.00 N ATOM 37 CA SER X 4 3.895 2.794 -2.566 1.00 0.00 C ATOM 38 C SER X 4 3.051 4.062 -2.423 1.00 0.00 C ATOM 39 O SER X 4 3.541 5.121 -2.037 1.00 0.00 O ATOM 40 CB SER X 4 4.557 2.754 -3.941 1.00 0.00 C ATOM 41 OG SER X 4 4.961 1.430 -4.260 1.00 0.00 O ATOM 0 H SER X 4 3.006 1.012 -3.221 1.00 0.00 H new ATOM 0 HA SER X 4 4.667 2.799 -1.797 1.00 0.00 H new ATOM 0 HB2 SER X 4 3.862 3.121 -4.697 1.00 0.00 H new ATOM 0 HB3 SER X 4 5.422 3.418 -3.954 1.00 0.00 H new ATOM 0 HG SER X 4 5.382 1.421 -5.145 1.00 0.00 H new ATOM 47 N ASP X 5 1.771 3.919 -2.738 1.00 0.00 N ATOM 48 CA ASP X 5 0.808 5.005 -2.660 1.00 0.00 C ATOM 49 C ASP X 5 0.043 4.931 -1.340 1.00 0.00 C ATOM 50 O ASP X 5 -0.569 3.905 -1.026 1.00 0.00 O ATOM 51 CB ASP X 5 -0.145 4.886 -3.853 1.00 0.00 C ATOM 52 CG ASP X 5 -1.256 5.923 -3.911 1.00 0.00 C ATOM 53 OD1 ASP X 5 -1.367 6.763 -3.000 1.00 0.00 O ATOM 54 OD2 ASP X 5 -2.038 5.874 -4.889 1.00 0.00 O ATOM 0 H ASP X 5 1.370 3.037 -3.058 1.00 0.00 H new ATOM 0 HA ASP X 5 1.316 5.969 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP X 5 0.440 4.954 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -0.598 3.895 -3.836 1.00 0.00 H new ATOM 59 N PRO X 6 0.064 6.019 -0.552 1.00 0.00 N ATOM 60 CA PRO X 6 -0.629 6.094 0.740 1.00 0.00 C ATOM 61 C PRO X 6 -2.124 5.808 0.620 1.00 0.00 C ATOM 62 O PRO X 6 -2.749 5.308 1.556 1.00 0.00 O ATOM 63 CB PRO X 6 -0.398 7.542 1.199 1.00 0.00 C ATOM 64 CG PRO X 6 0.032 8.276 -0.025 1.00 0.00 C ATOM 65 CD PRO X 6 0.767 7.273 -0.862 1.00 0.00 C ATOM 0 HA PRO X 6 -0.251 5.348 1.439 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -1.308 7.972 1.617 1.00 0.00 H new ATOM 0 HB3 PRO X 6 0.364 7.592 1.976 1.00 0.00 H new ATOM 0 HG2 PRO X 6 -0.827 8.680 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO X 6 0.674 9.119 0.229 1.00 0.00 H new ATOM 0 HD2 PRO X 6 0.715 7.515 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO X 6 1.823 7.221 -0.598 1.00 0.00 H new ATOM 73 N ARG X 7 -2.688 6.129 -0.539 1.00 0.00 N ATOM 74 CA ARG X 7 -4.106 5.912 -0.793 1.00 0.00 C ATOM 75 C ARG X 7 -4.448 4.428 -0.750 1.00 0.00 C ATOM 76 O ARG X 7 -5.426 4.026 -0.124 1.00 0.00 O ATOM 77 CB ARG X 7 -4.484 6.486 -2.157 1.00 0.00 C ATOM 78 CG ARG X 7 -4.170 7.965 -2.297 1.00 0.00 C ATOM 79 CD ARG X 7 -4.250 8.413 -3.747 1.00 0.00 C ATOM 80 NE ARG X 7 -5.580 8.200 -4.319 1.00 0.00 N ATOM 81 CZ ARG X 7 -5.883 8.429 -5.596 1.00 0.00 C ATOM 82 NH1 ARG X 7 -4.942 8.852 -6.436 1.00 0.00 N ATOM 83 NH2 ARG X 7 -7.122 8.224 -6.036 1.00 0.00 N ATOM 0 H ARG X 7 -2.181 6.543 -1.321 1.00 0.00 H new ATOM 0 HA ARG X 7 -4.673 6.420 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -3.955 5.935 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -5.550 6.331 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -4.870 8.546 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -3.172 8.165 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -3.993 9.470 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -3.512 7.868 -4.335 1.00 0.00 H new ATOM 0 HE ARG X 7 -6.318 7.856 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -3.990 9.001 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -5.173 9.028 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -7.842 7.891 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -7.352 8.400 -7.014 1.00 0.00 H new ATOM 97 N PHE X 8 -3.632 3.623 -1.421 1.00 0.00 N ATOM 98 CA PHE X 8 -3.848 2.180 -1.466 1.00 0.00 C ATOM 99 C PHE X 8 -3.682 1.559 -0.086 1.00 0.00 C ATOM 100 O PHE X 8 -4.360 0.590 0.246 1.00 0.00 O ATOM 101 CB PHE X 8 -2.887 1.514 -2.445 1.00 0.00 C ATOM 102 CG PHE X 8 -3.221 0.073 -2.714 1.00 0.00 C ATOM 103 CD1 PHE X 8 -4.351 -0.263 -3.442 1.00 0.00 C ATOM 104 CD2 PHE X 8 -2.407 -0.943 -2.240 1.00 0.00 C ATOM 105 CE1 PHE X 8 -4.661 -1.584 -3.694 1.00 0.00 C ATOM 106 CE2 PHE X 8 -2.714 -2.267 -2.489 1.00 0.00 C ATOM 107 CZ PHE X 8 -3.842 -2.587 -3.217 1.00 0.00 C ATOM 0 H PHE X 8 -2.815 3.944 -1.941 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.870 2.014 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.897 2.064 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.873 1.578 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.997 0.518 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -1.523 -0.698 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -5.544 -1.833 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -2.072 -3.051 -2.114 1.00 0.00 H new ATOM 0 HZ PHE X 8 -4.083 -3.621 -3.413 1.00 0.00 H new ATOM 117 N ASN X 9 -2.782 2.123 0.713 1.00 0.00 N ATOM 118 CA ASN X 9 -2.538 1.622 2.065 1.00 0.00 C ATOM 119 C ASN X 9 -3.810 1.708 2.895 1.00 0.00 C ATOM 120 O ASN X 9 -4.081 0.849 3.728 1.00 0.00 O ATOM 121 CB ASN X 9 -1.411 2.405 2.743 1.00 0.00 C ATOM 122 CG ASN X 9 -0.037 1.967 2.274 1.00 0.00 C ATOM 123 OD1 ASN X 9 0.658 2.848 1.573 1.00 0.00 O flip ATOM 124 ND2 ASN X 9 0.393 0.847 2.533 1.00 0.00 N flip ATOM 0 H ASN X 9 -2.210 2.925 0.450 1.00 0.00 H new ATOM 0 HA ASN X 9 -2.232 0.578 1.992 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -1.539 3.468 2.541 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -1.481 2.275 3.823 1.00 0.00 H new ATOM 0 HD21 ASN X 9 -0.174 0.196 3.077 1.00 0.00 H new ATOM 0 HD22 ASN X 9 1.317 0.567 2.205 1.00 0.00 H new ATOM 131 N TYR X 10 -4.593 2.747 2.642 1.00 0.00 N ATOM 132 CA TYR X 10 -5.850 2.946 3.342 1.00 0.00 C ATOM 133 C TYR X 10 -6.939 2.073 2.722 1.00 0.00 C ATOM 134 O TYR X 10 -7.766 1.493 3.426 1.00 0.00 O ATOM 135 CB TYR X 10 -6.258 4.421 3.279 1.00 0.00 C ATOM 136 CG TYR X 10 -7.536 4.733 4.023 1.00 0.00 C ATOM 137 CD1 TYR X 10 -7.706 4.342 5.345 1.00 0.00 C ATOM 138 CD2 TYR X 10 -8.572 5.420 3.404 1.00 0.00 C ATOM 139 CE1 TYR X 10 -8.873 4.625 6.028 1.00 0.00 C ATOM 140 CE2 TYR X 10 -9.742 5.708 4.080 1.00 0.00 C ATOM 141 CZ TYR X 10 -9.888 5.307 5.392 1.00 0.00 C ATOM 142 OH TYR X 10 -11.051 5.589 6.068 1.00 0.00 O ATOM 0 H TYR X 10 -4.377 3.468 1.953 1.00 0.00 H new ATOM 0 HA TYR X 10 -5.722 2.660 4.386 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -5.452 5.029 3.690 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -6.376 4.711 2.235 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -6.913 3.808 5.847 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -8.461 5.734 2.377 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -8.989 4.313 7.055 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -10.538 6.244 3.584 1.00 0.00 H new ATOM 0 HH TYR X 10 -11.663 6.075 5.477 1.00 0.00 H new ATOM 152 N ASP X 11 -6.926 2.004 1.396 1.00 0.00 N ATOM 153 CA ASP X 11 -7.902 1.224 0.632 1.00 0.00 C ATOM 154 C ASP X 11 -7.786 -0.272 0.931 1.00 0.00 C ATOM 155 O ASP X 11 -8.773 -0.930 1.261 1.00 0.00 O ATOM 156 CB ASP X 11 -7.682 1.477 -0.867 1.00 0.00 C ATOM 157 CG ASP X 11 -8.649 0.728 -1.774 1.00 0.00 C ATOM 158 OD1 ASP X 11 -9.658 0.183 -1.282 1.00 0.00 O ATOM 159 OD2 ASP X 11 -8.392 0.681 -2.996 1.00 0.00 O ATOM 0 H ASP X 11 -6.239 2.486 0.816 1.00 0.00 H new ATOM 0 HA ASP X 11 -8.903 1.541 0.925 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -7.773 2.546 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -6.663 1.192 -1.127 1.00 0.00 H new ATOM 164 N HIS X 12 -6.580 -0.815 0.813 1.00 0.00 N ATOM 165 CA HIS X 12 -6.361 -2.237 1.061 1.00 0.00 C ATOM 166 C HIS X 12 -5.105 -2.481 1.885 1.00 0.00 C ATOM 167 O HIS X 12 -4.089 -2.950 1.365 1.00 0.00 O ATOM 168 CB HIS X 12 -6.272 -3.007 -0.261 1.00 0.00 C ATOM 169 CG HIS X 12 -7.558 -3.024 -1.020 1.00 0.00 C ATOM 170 ND1 HIS X 12 -8.658 -3.742 -0.621 1.00 0.00 N ATOM 171 CD2 HIS X 12 -7.933 -2.348 -2.124 1.00 0.00 C ATOM 172 CE1 HIS X 12 -9.658 -3.502 -1.444 1.00 0.00 C ATOM 173 NE2 HIS X 12 -9.250 -2.652 -2.373 1.00 0.00 N ATOM 0 H HIS X 12 -5.742 -0.297 0.549 1.00 0.00 H new ATOM 0 HA HIS X 12 -7.215 -2.599 1.633 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -5.497 -2.560 -0.883 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.965 -4.033 -0.057 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -8.695 -4.364 0.187 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -7.310 -1.686 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -10.648 -3.928 -1.373 1.00 0.00 H new ATOM 182 N PRO X 13 -5.164 -2.189 3.195 1.00 0.00 N ATOM 183 CA PRO X 13 -4.034 -2.399 4.105 1.00 0.00 C ATOM 184 C PRO X 13 -3.720 -3.884 4.266 1.00 0.00 C ATOM 185 O PRO X 13 -2.676 -4.261 4.787 1.00 0.00 O ATOM 186 CB PRO X 13 -4.518 -1.807 5.432 1.00 0.00 C ATOM 187 CG PRO X 13 -6.005 -1.846 5.349 1.00 0.00 C ATOM 188 CD PRO X 13 -6.346 -1.653 3.898 1.00 0.00 C ATOM 0 HA PRO X 13 -3.117 -1.938 3.739 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -4.154 -2.388 6.280 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -4.156 -0.787 5.565 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -6.391 -2.797 5.717 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -6.450 -1.062 5.962 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -7.254 -2.190 3.624 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.513 -0.602 3.661 1.00 0.00 H new ATOM 196 N GLU X 14 -4.649 -4.712 3.809 1.00 0.00 N ATOM 197 CA GLU X 14 -4.529 -6.162 3.876 1.00 0.00 C ATOM 198 C GLU X 14 -3.284 -6.665 3.136 1.00 0.00 C ATOM 199 O GLU X 14 -2.512 -7.462 3.672 1.00 0.00 O ATOM 200 CB GLU X 14 -5.794 -6.786 3.276 1.00 0.00 C ATOM 201 CG GLU X 14 -6.134 -6.236 1.897 1.00 0.00 C ATOM 202 CD GLU X 14 -7.552 -6.532 1.464 1.00 0.00 C ATOM 203 OE1 GLU X 14 -7.912 -7.717 1.371 1.00 0.00 O ATOM 204 OE2 GLU X 14 -8.301 -5.565 1.201 1.00 0.00 O ATOM 0 H GLU X 14 -5.516 -4.393 3.377 1.00 0.00 H new ATOM 0 HA GLU X 14 -4.421 -6.457 4.920 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -5.662 -7.866 3.208 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.633 -6.609 3.948 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -5.980 -5.157 1.897 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -5.444 -6.657 1.166 1.00 0.00 H new ATOM 211 N ILE X 15 -3.100 -6.198 1.905 1.00 0.00 N ATOM 212 CA ILE X 15 -1.965 -6.604 1.084 1.00 0.00 C ATOM 213 C ILE X 15 -0.645 -6.134 1.686 1.00 0.00 C ATOM 214 O ILE X 15 0.303 -6.908 1.822 1.00 0.00 O ATOM 215 CB ILE X 15 -2.100 -6.055 -0.355 1.00 0.00 C ATOM 216 CG1 ILE X 15 -3.402 -6.556 -0.989 1.00 0.00 C ATOM 217 CG2 ILE X 15 -0.899 -6.459 -1.200 1.00 0.00 C ATOM 218 CD1 ILE X 15 -3.632 -6.054 -2.399 1.00 0.00 C ATOM 0 H ILE X 15 -3.727 -5.533 1.452 1.00 0.00 H new ATOM 0 HA ILE X 15 -1.965 -7.694 1.053 1.00 0.00 H new ATOM 0 HB ILE X 15 -2.130 -4.966 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -3.394 -7.646 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -4.240 -6.249 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -1.014 -6.063 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE X 15 0.011 -6.058 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -0.833 -7.546 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -4.573 -6.452 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -3.674 -4.965 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -2.814 -6.383 -3.040 1.00 0.00 H new ATOM 230 N CYS X 16 -0.592 -4.863 2.037 1.00 0.00 N ATOM 231 CA CYS X 16 0.608 -4.275 2.614 1.00 0.00 C ATOM 232 C CYS X 16 0.885 -4.836 4.010 1.00 0.00 C ATOM 233 O CYS X 16 2.035 -4.926 4.434 1.00 0.00 O ATOM 234 CB CYS X 16 0.451 -2.756 2.660 1.00 0.00 C ATOM 235 SG CYS X 16 -0.174 -2.051 1.098 1.00 0.00 S ATOM 0 H CYS X 16 -1.370 -4.212 1.933 1.00 0.00 H new ATOM 0 HA CYS X 16 1.463 -4.531 1.988 1.00 0.00 H new ATOM 0 HB2 CYS X 16 -0.230 -2.492 3.469 1.00 0.00 H new ATOM 0 HB3 CYS X 16 1.415 -2.304 2.895 1.00 0.00 H new ATOM 240 N GLY X 17 -0.180 -5.198 4.716 1.00 0.00 N ATOM 241 CA GLY X 17 -0.053 -5.731 6.059 1.00 0.00 C ATOM 242 C GLY X 17 0.524 -7.134 6.106 1.00 0.00 C ATOM 243 O GLY X 17 1.406 -7.414 6.914 1.00 0.00 O ATOM 0 H GLY X 17 -1.140 -5.130 4.377 1.00 0.00 H new ATOM 0 HA2 GLY X 17 0.582 -5.067 6.646 1.00 0.00 H new ATOM 0 HA3 GLY X 17 -1.034 -5.735 6.533 1.00 0.00 H new ATOM 247 N GLY X 18 0.021 -8.028 5.260 1.00 0.00 N ATOM 248 CA GLY X 18 0.519 -9.391 5.271 1.00 0.00 C ATOM 249 C GLY X 18 0.150 -10.176 4.030 1.00 0.00 C ATOM 250 O GLY X 18 -0.322 -11.307 4.123 1.00 0.00 O ATOM 0 H GLY X 18 -0.712 -7.837 4.577 1.00 0.00 H new ATOM 0 HA2 GLY X 18 1.604 -9.373 5.371 1.00 0.00 H new ATOM 0 HA3 GLY X 18 0.127 -9.906 6.148 1.00 0.00 H new ATOM 254 N ALA X 19 0.382 -9.583 2.869 1.00 0.00 N ATOM 255 CA ALA X 19 0.088 -10.236 1.602 1.00 0.00 C ATOM 256 C ALA X 19 1.045 -9.734 0.530 1.00 0.00 C ATOM 257 O ALA X 19 0.635 -9.335 -0.561 1.00 0.00 O ATOM 258 CB ALA X 19 -1.360 -9.997 1.196 1.00 0.00 C ATOM 0 H ALA X 19 0.775 -8.646 2.778 1.00 0.00 H new ATOM 0 HA ALA X 19 0.226 -11.311 1.717 1.00 0.00 H new ATOM 0 HB1 ALA X 19 -1.558 -10.494 0.246 1.00 0.00 H new ATOM 0 HB2 ALA X 19 -2.024 -10.399 1.961 1.00 0.00 H new ATOM 0 HB3 ALA X 19 -1.536 -8.927 1.089 1.00 0.00 H new ATOM 264 N ALA X 20 2.331 -9.746 0.864 1.00 0.00 N ATOM 265 CA ALA X 20 3.372 -9.287 -0.045 1.00 0.00 C ATOM 266 C ALA X 20 3.422 -10.139 -1.308 1.00 0.00 C ATOM 267 O ALA X 20 3.464 -11.367 -1.243 1.00 0.00 O ATOM 268 CB ALA X 20 4.723 -9.297 0.655 1.00 0.00 C ATOM 0 H ALA X 20 2.678 -10.072 1.766 1.00 0.00 H new ATOM 0 HA ALA X 20 3.133 -8.266 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA X 20 5.493 -8.952 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA X 20 4.689 -8.636 1.521 1.00 0.00 H new ATOM 0 HB3 ALA X 20 4.956 -10.311 0.981 1.00 0.00 H new ATOM 274 N GLY X 21 3.418 -9.471 -2.450 1.00 0.00 N ATOM 275 CA GLY X 21 3.462 -10.153 -3.726 1.00 0.00 C ATOM 276 C GLY X 21 3.210 -9.193 -4.864 1.00 0.00 C ATOM 277 O GLY X 21 3.916 -9.199 -5.870 1.00 0.00 O ATOM 0 H GLY X 21 3.385 -8.454 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY X 21 4.435 -10.627 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY X 21 2.715 -10.947 -3.744 1.00 0.00 H new ATOM 281 N GLY X 22 2.202 -8.353 -4.688 1.00 0.00 N ATOM 282 CA GLY X 22 1.852 -7.372 -5.690 1.00 0.00 C ATOM 283 C GLY X 22 0.775 -6.442 -5.182 1.00 0.00 C ATOM 284 O GLY X 22 -0.170 -6.888 -4.535 1.00 0.00 O ATOM 0 H GLY X 22 1.613 -8.335 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY X 22 2.736 -6.796 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY X 22 1.507 -7.876 -6.593 1.00 0.00 H new TER 288 GLY X 22