USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=3 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 H3 : 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= -2.54! C(o=-2.5!,f=-6.7!) USER MOD Single : X 4 SER OG : rot 180:sc= 0.102 USER MOD Single : X 9 ASN : amide:sc= 1.1 K(o=1.1,f=-0.4) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= 0.908 K(o=0.91,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 2.780 -4.575 -3.119 1.00 0.00 N ATOM 2 CA GLY X 1 2.290 -4.113 -4.398 1.00 0.00 C ATOM 3 C GLY X 1 2.373 -2.608 -4.533 1.00 0.00 C ATOM 4 O GLY X 1 3.438 -2.016 -4.363 1.00 0.00 O ATOM 0 H2 GLY X 1 2.704 -5.611 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY X 1 2.867 -4.580 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY X 1 1.255 -4.431 -4.525 1.00 0.00 H new ATOM 8 N HIS X 2 1.241 -1.985 -4.826 1.00 0.00 N ATOM 9 CA HIS X 2 1.163 -0.533 -4.979 1.00 0.00 C ATOM 10 C HIS X 2 1.123 0.143 -3.600 1.00 0.00 C ATOM 11 O HIS X 2 0.414 1.124 -3.390 1.00 0.00 O ATOM 12 CB HIS X 2 -0.084 -0.186 -5.817 1.00 0.00 C ATOM 13 CG HIS X 2 -0.236 1.266 -6.179 1.00 0.00 C ATOM 14 ND1 HIS X 2 0.779 2.033 -6.708 1.00 0.00 N ATOM 15 CD2 HIS X 2 -1.316 2.080 -6.104 1.00 0.00 C ATOM 16 CE1 HIS X 2 0.328 3.255 -6.938 1.00 0.00 C ATOM 17 NE2 HIS X 2 -0.941 3.313 -6.580 1.00 0.00 N ATOM 0 H HIS X 2 0.352 -2.466 -4.965 1.00 0.00 H new ATOM 0 HA HIS X 2 2.047 -0.162 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS X 2 -0.057 -0.771 -6.736 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -0.970 -0.500 -5.265 1.00 0.00 H new ATOM 0 HD2 HIS X 2 -2.295 1.809 -5.737 1.00 0.00 H new ATOM 0 HE1 HIS X 2 0.903 4.071 -7.351 1.00 0.00 H new ATOM 0 HE2 HIS X 2 -1.542 4.135 -6.646 1.00 0.00 H new ATOM 26 N CYS X 3 1.889 -0.405 -2.664 1.00 0.00 N ATOM 27 CA CYS X 3 1.951 0.102 -1.294 1.00 0.00 C ATOM 28 C CYS X 3 2.665 1.449 -1.208 1.00 0.00 C ATOM 29 O CYS X 3 2.697 2.076 -0.153 1.00 0.00 O ATOM 30 CB CYS X 3 2.634 -0.924 -0.399 1.00 0.00 C ATOM 31 SG CYS X 3 1.884 -2.580 -0.510 1.00 0.00 S ATOM 0 H CYS X 3 2.486 -1.215 -2.832 1.00 0.00 H new ATOM 0 HA CYS X 3 0.929 0.264 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS X 3 3.688 -0.990 -0.670 1.00 0.00 H new ATOM 0 HB3 CYS X 3 2.592 -0.581 0.635 1.00 0.00 H new ATOM 36 N SER X 4 3.211 1.904 -2.324 1.00 0.00 N ATOM 37 CA SER X 4 3.882 3.192 -2.371 1.00 0.00 C ATOM 38 C SER X 4 2.835 4.305 -2.385 1.00 0.00 C ATOM 39 O SER X 4 3.134 5.476 -2.155 1.00 0.00 O ATOM 40 CB SER X 4 4.779 3.261 -3.608 1.00 0.00 C ATOM 41 OG SER X 4 4.198 2.554 -4.698 1.00 0.00 O ATOM 0 H SER X 4 3.202 1.399 -3.210 1.00 0.00 H new ATOM 0 HA SER X 4 4.511 3.319 -1.490 1.00 0.00 H new ATOM 0 HB2 SER X 4 4.939 4.302 -3.889 1.00 0.00 H new ATOM 0 HB3 SER X 4 5.757 2.840 -3.376 1.00 0.00 H new ATOM 0 HG SER X 4 4.788 2.613 -5.478 1.00 0.00 H new ATOM 47 N ASP X 5 1.600 3.901 -2.657 1.00 0.00 N ATOM 48 CA ASP X 5 0.462 4.807 -2.713 1.00 0.00 C ATOM 49 C ASP X 5 -0.115 5.031 -1.318 1.00 0.00 C ATOM 50 O ASP X 5 -0.401 4.070 -0.601 1.00 0.00 O ATOM 51 CB ASP X 5 -0.606 4.195 -3.615 1.00 0.00 C ATOM 52 CG ASP X 5 -1.706 5.157 -4.011 1.00 0.00 C ATOM 53 OD1 ASP X 5 -2.418 5.655 -3.119 1.00 0.00 O ATOM 54 OD2 ASP X 5 -1.873 5.383 -5.230 1.00 0.00 O ATOM 0 H ASP X 5 1.360 2.928 -2.846 1.00 0.00 H new ATOM 0 HA ASP X 5 0.787 5.769 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -0.129 3.814 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -1.051 3.341 -3.105 1.00 0.00 H new ATOM 59 N PRO X 6 -0.315 6.294 -0.919 1.00 0.00 N ATOM 60 CA PRO X 6 -0.878 6.631 0.394 1.00 0.00 C ATOM 61 C PRO X 6 -2.309 6.120 0.550 1.00 0.00 C ATOM 62 O PRO X 6 -2.724 5.703 1.633 1.00 0.00 O ATOM 63 CB PRO X 6 -0.856 8.163 0.411 1.00 0.00 C ATOM 64 CG PRO X 6 -0.848 8.551 -1.027 1.00 0.00 C ATOM 65 CD PRO X 6 -0.026 7.499 -1.717 1.00 0.00 C ATOM 0 HA PRO X 6 -0.316 6.176 1.209 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -1.727 8.567 0.926 1.00 0.00 H new ATOM 0 HB3 PRO X 6 0.025 8.542 0.929 1.00 0.00 H new ATOM 0 HG2 PRO X 6 -1.860 8.587 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO X 6 -0.415 9.542 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO X 6 -0.318 7.375 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO X 6 1.036 7.745 -1.711 1.00 0.00 H new ATOM 73 N ARG X 7 -3.052 6.148 -0.546 1.00 0.00 N ATOM 74 CA ARG X 7 -4.428 5.688 -0.558 1.00 0.00 C ATOM 75 C ARG X 7 -4.510 4.178 -0.512 1.00 0.00 C ATOM 76 O ARG X 7 -5.297 3.630 0.249 1.00 0.00 O ATOM 77 CB ARG X 7 -5.157 6.187 -1.803 1.00 0.00 C ATOM 78 CG ARG X 7 -5.868 7.512 -1.616 1.00 0.00 C ATOM 79 CD ARG X 7 -6.961 7.404 -0.561 1.00 0.00 C ATOM 80 NE ARG X 7 -7.796 6.211 -0.751 1.00 0.00 N ATOM 81 CZ ARG X 7 -8.823 5.876 0.038 1.00 0.00 C ATOM 82 NH1 ARG X 7 -9.197 6.688 1.023 1.00 0.00 N ATOM 83 NH2 ARG X 7 -9.485 4.740 -0.162 1.00 0.00 N ATOM 0 H ARG X 7 -2.718 6.489 -1.447 1.00 0.00 H new ATOM 0 HA ARG X 7 -4.906 6.094 0.333 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -4.438 6.285 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -5.886 5.436 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -5.148 8.276 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -6.303 7.832 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -6.507 7.374 0.429 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -7.588 8.295 -0.597 1.00 0.00 H new ATOM 0 HE ARG X 7 -7.579 5.597 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -8.701 7.566 1.177 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -9.980 6.433 1.625 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -9.211 4.117 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -10.267 4.492 0.444 1.00 0.00 H new ATOM 97 N PHE X 8 -3.722 3.520 -1.351 1.00 0.00 N ATOM 98 CA PHE X 8 -3.731 2.058 -1.436 1.00 0.00 C ATOM 99 C PHE X 8 -3.509 1.397 -0.077 1.00 0.00 C ATOM 100 O PHE X 8 -4.138 0.388 0.227 1.00 0.00 O ATOM 101 CB PHE X 8 -2.685 1.558 -2.431 1.00 0.00 C ATOM 102 CG PHE X 8 -2.861 0.110 -2.797 1.00 0.00 C ATOM 103 CD1 PHE X 8 -4.033 -0.328 -3.395 1.00 0.00 C ATOM 104 CD2 PHE X 8 -1.859 -0.813 -2.548 1.00 0.00 C ATOM 105 CE1 PHE X 8 -4.199 -1.656 -3.736 1.00 0.00 C ATOM 106 CE2 PHE X 8 -2.019 -2.142 -2.886 1.00 0.00 C ATOM 107 CZ PHE X 8 -3.190 -2.565 -3.482 1.00 0.00 C ATOM 0 H PHE X 8 -3.065 3.973 -1.986 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.723 1.775 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.735 2.164 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.691 1.701 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.825 0.378 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -0.940 -0.489 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -5.117 -1.984 -4.201 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -1.229 -2.850 -2.684 1.00 0.00 H new ATOM 0 HZ PHE X 8 -3.317 -3.604 -3.749 1.00 0.00 H new ATOM 117 N ASN X 9 -2.621 1.962 0.737 1.00 0.00 N ATOM 118 CA ASN X 9 -2.343 1.405 2.063 1.00 0.00 C ATOM 119 C ASN X 9 -3.593 1.433 2.932 1.00 0.00 C ATOM 120 O ASN X 9 -3.883 0.482 3.654 1.00 0.00 O ATOM 121 CB ASN X 9 -1.215 2.173 2.757 1.00 0.00 C ATOM 122 CG ASN X 9 0.154 1.824 2.211 1.00 0.00 C ATOM 123 OD1 ASN X 9 0.607 0.683 2.310 1.00 0.00 O ATOM 124 ND2 ASN X 9 0.823 2.804 1.631 1.00 0.00 N ATOM 0 H ASN X 9 -2.084 2.798 0.507 1.00 0.00 H new ATOM 0 HA ASN X 9 -2.028 0.370 1.926 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -1.385 3.243 2.641 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -1.240 1.960 3.826 1.00 0.00 H new ATOM 0 HD21 ASN X 9 1.751 2.629 1.245 1.00 0.00 H new ATOM 0 HD22 ASN X 9 0.412 3.735 1.569 1.00 0.00 H new ATOM 131 N TYR X 10 -4.331 2.530 2.850 1.00 0.00 N ATOM 132 CA TYR X 10 -5.560 2.691 3.616 1.00 0.00 C ATOM 133 C TYR X 10 -6.696 1.898 2.974 1.00 0.00 C ATOM 134 O TYR X 10 -7.521 1.297 3.661 1.00 0.00 O ATOM 135 CB TYR X 10 -5.939 4.174 3.686 1.00 0.00 C ATOM 136 CG TYR X 10 -7.216 4.440 4.452 1.00 0.00 C ATOM 137 CD1 TYR X 10 -7.384 3.976 5.752 1.00 0.00 C ATOM 138 CD2 TYR X 10 -8.261 5.146 3.870 1.00 0.00 C ATOM 139 CE1 TYR X 10 -8.555 4.209 6.446 1.00 0.00 C ATOM 140 CE2 TYR X 10 -9.434 5.385 4.558 1.00 0.00 C ATOM 141 CZ TYR X 10 -9.577 4.913 5.846 1.00 0.00 C ATOM 142 OH TYR X 10 -10.745 5.146 6.534 1.00 0.00 O ATOM 0 H TYR X 10 -4.099 3.327 2.257 1.00 0.00 H new ATOM 0 HA TYR X 10 -5.394 2.312 4.625 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -5.124 4.727 4.153 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -6.046 4.561 2.673 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -6.586 3.425 6.227 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -8.154 5.515 2.861 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -8.670 3.841 7.455 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -10.235 5.938 4.090 1.00 0.00 H new ATOM 0 HH TYR X 10 -11.361 5.657 5.969 1.00 0.00 H new ATOM 152 N ASP X 11 -6.727 1.930 1.650 1.00 0.00 N ATOM 153 CA ASP X 11 -7.749 1.249 0.861 1.00 0.00 C ATOM 154 C ASP X 11 -7.648 -0.260 1.022 1.00 0.00 C ATOM 155 O ASP X 11 -8.655 -0.962 1.103 1.00 0.00 O ATOM 156 CB ASP X 11 -7.580 1.606 -0.617 1.00 0.00 C ATOM 157 CG ASP X 11 -8.849 1.416 -1.418 1.00 0.00 C ATOM 158 OD1 ASP X 11 -9.761 2.261 -1.278 1.00 0.00 O ATOM 159 OD2 ASP X 11 -8.930 0.435 -2.190 1.00 0.00 O ATOM 0 H ASP X 11 -6.040 2.432 1.087 1.00 0.00 H new ATOM 0 HA ASP X 11 -8.726 1.575 1.217 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -7.256 2.643 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -6.790 0.990 -1.046 1.00 0.00 H new ATOM 164 N HIS X 12 -6.419 -0.755 1.042 1.00 0.00 N ATOM 165 CA HIS X 12 -6.172 -2.181 1.165 1.00 0.00 C ATOM 166 C HIS X 12 -5.026 -2.480 2.119 1.00 0.00 C ATOM 167 O HIS X 12 -3.922 -2.838 1.699 1.00 0.00 O ATOM 168 CB HIS X 12 -5.900 -2.779 -0.211 1.00 0.00 C ATOM 169 CG HIS X 12 -7.155 -3.023 -0.973 1.00 0.00 C ATOM 170 ND1 HIS X 12 -8.075 -3.968 -0.595 1.00 0.00 N ATOM 171 CD2 HIS X 12 -7.668 -2.408 -2.059 1.00 0.00 C ATOM 172 CE1 HIS X 12 -9.106 -3.926 -1.415 1.00 0.00 C ATOM 173 NE2 HIS X 12 -8.889 -2.983 -2.319 1.00 0.00 N ATOM 0 H HIS X 12 -5.575 -0.186 0.974 1.00 0.00 H new ATOM 0 HA HIS X 12 -7.065 -2.642 1.587 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -5.257 -2.106 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.357 -3.717 -0.097 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -7.977 -4.604 0.197 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -7.204 -1.611 -2.621 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -9.982 -4.556 -1.359 1.00 0.00 H new ATOM 182 N PRO X 13 -5.285 -2.350 3.427 1.00 0.00 N ATOM 183 CA PRO X 13 -4.289 -2.612 4.462 1.00 0.00 C ATOM 184 C PRO X 13 -3.934 -4.092 4.560 1.00 0.00 C ATOM 185 O PRO X 13 -2.832 -4.445 4.974 1.00 0.00 O ATOM 186 CB PRO X 13 -4.968 -2.137 5.749 1.00 0.00 C ATOM 187 CG PRO X 13 -6.427 -2.228 5.467 1.00 0.00 C ATOM 188 CD PRO X 13 -6.584 -1.942 3.999 1.00 0.00 C ATOM 0 HA PRO X 13 -3.347 -2.105 4.255 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -4.690 -2.763 6.597 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -4.676 -1.116 5.996 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -6.811 -3.217 5.715 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -6.986 -1.509 6.066 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -7.409 -2.508 3.566 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.790 -0.887 3.815 1.00 0.00 H new ATOM 196 N GLU X 14 -4.873 -4.956 4.181 1.00 0.00 N ATOM 197 CA GLU X 14 -4.648 -6.396 4.239 1.00 0.00 C ATOM 198 C GLU X 14 -3.653 -6.857 3.176 1.00 0.00 C ATOM 199 O GLU X 14 -2.827 -7.729 3.436 1.00 0.00 O ATOM 200 CB GLU X 14 -5.964 -7.191 4.128 1.00 0.00 C ATOM 201 CG GLU X 14 -7.169 -6.403 3.625 1.00 0.00 C ATOM 202 CD GLU X 14 -7.090 -6.039 2.157 1.00 0.00 C ATOM 203 OE1 GLU X 14 -7.009 -6.948 1.316 1.00 0.00 O ATOM 204 OE2 GLU X 14 -7.123 -4.836 1.842 1.00 0.00 O ATOM 0 H GLU X 14 -5.792 -4.685 3.832 1.00 0.00 H new ATOM 0 HA GLU X 14 -4.216 -6.602 5.218 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -5.801 -8.037 3.460 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.204 -7.601 5.109 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -8.072 -6.989 3.797 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -7.265 -5.490 4.212 1.00 0.00 H new ATOM 211 N ILE X 15 -3.738 -6.277 1.985 1.00 0.00 N ATOM 212 CA ILE X 15 -2.843 -6.648 0.895 1.00 0.00 C ATOM 213 C ILE X 15 -1.398 -6.267 1.207 1.00 0.00 C ATOM 214 O ILE X 15 -0.484 -7.074 1.042 1.00 0.00 O ATOM 215 CB ILE X 15 -3.266 -5.993 -0.439 1.00 0.00 C ATOM 216 CG1 ILE X 15 -4.702 -6.394 -0.794 1.00 0.00 C ATOM 217 CG2 ILE X 15 -2.304 -6.384 -1.558 1.00 0.00 C ATOM 218 CD1 ILE X 15 -5.165 -5.896 -2.147 1.00 0.00 C ATOM 0 H ILE X 15 -4.414 -5.551 1.749 1.00 0.00 H new ATOM 0 HA ILE X 15 -2.912 -7.731 0.792 1.00 0.00 H new ATOM 0 HB ILE X 15 -3.228 -4.910 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -4.780 -7.481 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -5.375 -6.010 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -2.619 -5.913 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE X 15 -1.297 -6.051 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -2.308 -7.467 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -6.190 -6.221 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -5.121 -4.807 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -4.517 -6.300 -2.925 1.00 0.00 H new ATOM 230 N CYS X 16 -1.193 -5.034 1.645 1.00 0.00 N ATOM 231 CA CYS X 16 0.147 -4.561 1.961 1.00 0.00 C ATOM 232 C CYS X 16 0.639 -5.107 3.297 1.00 0.00 C ATOM 233 O CYS X 16 1.794 -5.527 3.412 1.00 0.00 O ATOM 234 CB CYS X 16 0.188 -3.033 1.951 1.00 0.00 C ATOM 235 SG CYS X 16 0.032 -2.321 0.283 1.00 0.00 S ATOM 0 H CYS X 16 -1.932 -4.346 1.789 1.00 0.00 H new ATOM 0 HA CYS X 16 0.821 -4.935 1.190 1.00 0.00 H new ATOM 0 HB2 CYS X 16 -0.617 -2.651 2.579 1.00 0.00 H new ATOM 0 HB3 CYS X 16 1.125 -2.698 2.395 1.00 0.00 H new ATOM 240 N GLY X 17 -0.234 -5.103 4.301 1.00 0.00 N ATOM 241 CA GLY X 17 0.123 -5.601 5.621 1.00 0.00 C ATOM 242 C GLY X 17 1.079 -4.680 6.358 1.00 0.00 C ATOM 243 O GLY X 17 0.736 -4.114 7.396 1.00 0.00 O ATOM 0 H GLY X 17 -1.192 -4.760 4.223 1.00 0.00 H new ATOM 0 HA2 GLY X 17 -0.783 -5.727 6.214 1.00 0.00 H new ATOM 0 HA3 GLY X 17 0.579 -6.586 5.522 1.00 0.00 H new ATOM 247 N GLY X 18 2.275 -4.528 5.814 1.00 0.00 N ATOM 248 CA GLY X 18 3.275 -3.674 6.415 1.00 0.00 C ATOM 249 C GLY X 18 4.578 -3.719 5.648 1.00 0.00 C ATOM 250 O GLY X 18 5.656 -3.700 6.237 1.00 0.00 O ATOM 0 H GLY X 18 2.574 -4.988 4.954 1.00 0.00 H new ATOM 0 HA2 GLY X 18 2.907 -2.649 6.448 1.00 0.00 H new ATOM 0 HA3 GLY X 18 3.448 -3.984 7.446 1.00 0.00 H new ATOM 254 N ALA X 19 4.477 -3.782 4.325 1.00 0.00 N ATOM 255 CA ALA X 19 5.651 -3.834 3.466 1.00 0.00 C ATOM 256 C ALA X 19 5.307 -3.354 2.063 1.00 0.00 C ATOM 257 O ALA X 19 4.255 -3.692 1.524 1.00 0.00 O ATOM 258 CB ALA X 19 6.216 -5.247 3.419 1.00 0.00 C ATOM 0 H ALA X 19 3.589 -3.798 3.823 1.00 0.00 H new ATOM 0 HA ALA X 19 6.410 -3.172 3.882 1.00 0.00 H new ATOM 0 HB1 ALA X 19 7.093 -5.267 2.772 1.00 0.00 H new ATOM 0 HB2 ALA X 19 6.499 -5.559 4.424 1.00 0.00 H new ATOM 0 HB3 ALA X 19 5.461 -5.928 3.027 1.00 0.00 H new ATOM 264 N ALA X 20 6.197 -2.555 1.484 1.00 0.00 N ATOM 265 CA ALA X 20 5.997 -2.010 0.144 1.00 0.00 C ATOM 266 C ALA X 20 5.984 -3.108 -0.917 1.00 0.00 C ATOM 267 O ALA X 20 5.393 -2.942 -1.981 1.00 0.00 O ATOM 268 CB ALA X 20 7.077 -0.985 -0.170 1.00 0.00 C ATOM 0 H ALA X 20 7.071 -2.268 1.925 1.00 0.00 H new ATOM 0 HA ALA X 20 5.022 -1.523 0.125 1.00 0.00 H new ATOM 0 HB1 ALA X 20 6.919 -0.585 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA X 20 7.031 -0.174 0.556 1.00 0.00 H new ATOM 0 HB3 ALA X 20 8.056 -1.461 -0.120 1.00 0.00 H new ATOM 274 N GLY X 21 6.648 -4.221 -0.614 1.00 0.00 N ATOM 275 CA GLY X 21 6.726 -5.342 -1.540 1.00 0.00 C ATOM 276 C GLY X 21 5.379 -5.975 -1.856 1.00 0.00 C ATOM 277 O GLY X 21 5.278 -6.779 -2.780 1.00 0.00 O ATOM 0 H GLY X 21 7.140 -4.368 0.268 1.00 0.00 H new ATOM 0 HA2 GLY X 21 7.184 -5.002 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY X 21 7.384 -6.102 -1.120 1.00 0.00 H new ATOM 281 N GLY X 22 4.351 -5.618 -1.090 1.00 0.00 N ATOM 282 CA GLY X 22 3.026 -6.167 -1.314 1.00 0.00 C ATOM 283 C GLY X 22 2.457 -5.780 -2.667 1.00 0.00 C ATOM 284 O GLY X 22 1.737 -6.557 -3.293 1.00 0.00 O ATOM 0 H GLY X 22 4.413 -4.956 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY X 22 3.069 -7.254 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY X 22 2.355 -5.820 -0.528 1.00 0.00 H new TER 288 GLY X 22