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 H2 : X 1 GLY N : X 22 GLY C :(NH2R) USER MOD Set 1.1: X 2 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-0.99) USER MOD Set 1.2: X 4 SER OG : rot 180:sc= 0 USER MOD Single : X 1 GLY N :NH3+ 180:sc= -0.456 (180deg=-0.456) USER MOD Single : X 9 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.3!) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 3.018 -5.423 -3.988 1.00 0.00 N ATOM 2 CA GLY X 1 1.915 -4.499 -4.106 1.00 0.00 C ATOM 3 C GLY X 1 2.385 -3.068 -4.232 1.00 0.00 C ATOM 4 O GLY X 1 3.470 -2.721 -3.769 1.00 0.00 O ATOM 0 H3 GLY X 1 2.651 -6.393 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY X 1 1.314 -4.761 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY X 1 1.269 -4.593 -3.233 1.00 0.00 H new ATOM 8 N HIS X 2 1.565 -2.232 -4.856 1.00 0.00 N ATOM 9 CA HIS X 2 1.886 -0.818 -5.044 1.00 0.00 C ATOM 10 C HIS X 2 1.666 -0.048 -3.738 1.00 0.00 C ATOM 11 O HIS X 2 0.994 0.985 -3.723 1.00 0.00 O ATOM 12 CB HIS X 2 1.006 -0.233 -6.161 1.00 0.00 C ATOM 13 CG HIS X 2 1.457 1.101 -6.692 1.00 0.00 C ATOM 14 ND1 HIS X 2 0.779 1.779 -7.677 1.00 0.00 N ATOM 15 CD2 HIS X 2 2.518 1.881 -6.369 1.00 0.00 C ATOM 16 CE1 HIS X 2 1.401 2.913 -7.938 1.00 0.00 C ATOM 17 NE2 HIS X 2 2.461 3.007 -7.156 1.00 0.00 N ATOM 0 H HIS X 2 0.664 -2.510 -5.245 1.00 0.00 H new ATOM 0 HA HIS X 2 2.934 -0.724 -5.329 1.00 0.00 H new ATOM 0 HB2 HIS X 2 0.973 -0.944 -6.987 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -0.012 -0.133 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS X 2 3.271 1.658 -5.628 1.00 0.00 H new ATOM 0 HE1 HIS X 2 1.094 3.644 -8.671 1.00 0.00 H new ATOM 0 HE2 HIS X 2 3.124 3.782 -7.139 1.00 0.00 H new ATOM 26 N CYS X 3 2.217 -0.566 -2.647 1.00 0.00 N ATOM 27 CA CYS X 3 2.071 0.048 -1.329 1.00 0.00 C ATOM 28 C CYS X 3 2.917 1.311 -1.187 1.00 0.00 C ATOM 29 O CYS X 3 3.639 1.500 -0.211 1.00 0.00 O ATOM 30 CB CYS X 3 2.407 -0.967 -0.237 1.00 0.00 C ATOM 31 SG CYS X 3 1.223 -2.350 -0.162 1.00 0.00 S ATOM 0 H CYS X 3 2.776 -1.420 -2.648 1.00 0.00 H new ATOM 0 HA CYS X 3 1.031 0.354 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS X 3 3.408 -1.362 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS X 3 2.428 -0.461 0.728 1.00 0.00 H new ATOM 36 N SER X 4 2.783 2.186 -2.162 1.00 0.00 N ATOM 37 CA SER X 4 3.477 3.456 -2.173 1.00 0.00 C ATOM 38 C SER X 4 2.433 4.559 -2.123 1.00 0.00 C ATOM 39 O SER X 4 2.605 5.582 -1.461 1.00 0.00 O ATOM 40 CB SER X 4 4.326 3.580 -3.439 1.00 0.00 C ATOM 41 OG SER X 4 5.044 2.380 -3.682 1.00 0.00 O ATOM 0 H SER X 4 2.185 2.034 -2.974 1.00 0.00 H new ATOM 0 HA SER X 4 4.144 3.533 -1.314 1.00 0.00 H new ATOM 0 HB2 SER X 4 3.685 3.805 -4.292 1.00 0.00 H new ATOM 0 HB3 SER X 4 5.023 4.412 -3.335 1.00 0.00 H new ATOM 0 HG SER X 4 5.580 2.479 -4.497 1.00 0.00 H new ATOM 47 N ASP X 5 1.337 4.311 -2.830 1.00 0.00 N ATOM 48 CA ASP X 5 0.220 5.235 -2.899 1.00 0.00 C ATOM 49 C ASP X 5 -0.479 5.297 -1.550 1.00 0.00 C ATOM 50 O ASP X 5 -0.713 4.263 -0.920 1.00 0.00 O ATOM 51 CB ASP X 5 -0.789 4.782 -3.964 1.00 0.00 C ATOM 52 CG ASP X 5 -0.159 4.509 -5.321 1.00 0.00 C ATOM 53 OD1 ASP X 5 1.051 4.771 -5.492 1.00 0.00 O ATOM 54 OD2 ASP X 5 -0.874 4.012 -6.213 1.00 0.00 O ATOM 0 H ASP X 5 1.201 3.458 -3.373 1.00 0.00 H new ATOM 0 HA ASP X 5 0.604 6.220 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -1.290 3.878 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -1.556 5.549 -4.076 1.00 0.00 H new ATOM 59 N PRO X 6 -0.824 6.502 -1.083 1.00 0.00 N ATOM 60 CA PRO X 6 -1.501 6.685 0.202 1.00 0.00 C ATOM 61 C PRO X 6 -2.798 5.882 0.287 1.00 0.00 C ATOM 62 O PRO X 6 -3.110 5.294 1.320 1.00 0.00 O ATOM 63 CB PRO X 6 -1.793 8.192 0.259 1.00 0.00 C ATOM 64 CG PRO X 6 -1.598 8.690 -1.136 1.00 0.00 C ATOM 65 CD PRO X 6 -0.582 7.781 -1.764 1.00 0.00 C ATOM 0 HA PRO X 6 -0.890 6.335 1.034 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -2.809 8.382 0.605 1.00 0.00 H new ATOM 0 HB3 PRO X 6 -1.120 8.696 0.953 1.00 0.00 H new ATOM 0 HG2 PRO X 6 -2.535 8.670 -1.692 1.00 0.00 H new ATOM 0 HG3 PRO X 6 -1.250 9.723 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO X 6 -0.724 7.699 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO X 6 0.435 8.139 -1.603 1.00 0.00 H new ATOM 73 N ARG X 7 -3.546 5.857 -0.812 1.00 0.00 N ATOM 74 CA ARG X 7 -4.808 5.125 -0.864 1.00 0.00 C ATOM 75 C ARG X 7 -4.580 3.619 -0.873 1.00 0.00 C ATOM 76 O ARG X 7 -5.300 2.871 -0.223 1.00 0.00 O ATOM 77 CB ARG X 7 -5.617 5.534 -2.092 1.00 0.00 C ATOM 78 CG ARG X 7 -5.996 7.004 -2.111 1.00 0.00 C ATOM 79 CD ARG X 7 -6.744 7.409 -0.847 1.00 0.00 C ATOM 80 NE ARG X 7 -7.965 6.629 -0.642 1.00 0.00 N ATOM 81 CZ ARG X 7 -9.108 6.814 -1.305 1.00 0.00 C ATOM 82 NH1 ARG X 7 -9.214 7.785 -2.209 1.00 0.00 N ATOM 83 NH2 ARG X 7 -10.148 6.030 -1.053 1.00 0.00 N ATOM 0 H ARG X 7 -3.300 6.335 -1.679 1.00 0.00 H new ATOM 0 HA ARG X 7 -5.370 5.379 0.035 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -5.041 5.305 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -6.525 4.933 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -5.096 7.611 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -6.617 7.208 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -6.088 7.284 0.015 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -6.998 8.467 -0.903 1.00 0.00 H new ATOM 0 HE ARG X 7 -7.940 5.889 0.060 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -8.418 8.394 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -10.091 7.920 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -10.072 5.290 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -11.024 6.167 -1.557 1.00 0.00 H new ATOM 97 N PHE X 8 -3.581 3.169 -1.617 1.00 0.00 N ATOM 98 CA PHE X 8 -3.289 1.741 -1.686 1.00 0.00 C ATOM 99 C PHE X 8 -2.864 1.225 -0.314 1.00 0.00 C ATOM 100 O PHE X 8 -3.165 0.099 0.046 1.00 0.00 O ATOM 101 CB PHE X 8 -2.208 1.435 -2.723 1.00 0.00 C ATOM 102 CG PHE X 8 -2.316 0.043 -3.281 1.00 0.00 C ATOM 103 CD1 PHE X 8 -3.385 -0.309 -4.088 1.00 0.00 C ATOM 104 CD2 PHE X 8 -1.362 -0.917 -2.987 1.00 0.00 C ATOM 105 CE1 PHE X 8 -3.500 -1.590 -4.592 1.00 0.00 C ATOM 106 CE2 PHE X 8 -1.471 -2.199 -3.489 1.00 0.00 C ATOM 107 CZ PHE X 8 -2.540 -2.536 -4.292 1.00 0.00 C ATOM 0 H PHE X 8 -2.965 3.760 -2.175 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.200 1.230 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.278 2.155 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.226 1.564 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.138 0.427 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -0.523 -0.660 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -4.339 -1.851 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -0.719 -2.937 -3.253 1.00 0.00 H new ATOM 0 HZ PHE X 8 -2.626 -3.538 -4.686 1.00 0.00 H new ATOM 117 N ASN X 9 -2.176 2.059 0.449 1.00 0.00 N ATOM 118 CA ASN X 9 -1.732 1.676 1.787 1.00 0.00 C ATOM 119 C ASN X 9 -2.885 1.711 2.789 1.00 0.00 C ATOM 120 O ASN X 9 -3.049 0.799 3.596 1.00 0.00 O ATOM 121 CB ASN X 9 -0.614 2.605 2.273 1.00 0.00 C ATOM 122 CG ASN X 9 0.752 2.219 1.742 1.00 0.00 C ATOM 123 OD1 ASN X 9 1.250 1.130 2.012 1.00 0.00 O ATOM 124 ND2 ASN X 9 1.370 3.112 0.984 1.00 0.00 N ATOM 0 H ASN X 9 -1.912 3.004 0.169 1.00 0.00 H new ATOM 0 HA ASN X 9 -1.355 0.655 1.722 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -0.840 3.627 1.968 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -0.590 2.595 3.363 1.00 0.00 H new ATOM 0 HD21 ASN X 9 2.293 2.905 0.602 1.00 0.00 H new ATOM 0 HD22 ASN X 9 0.923 4.006 0.782 1.00 0.00 H new ATOM 131 N TYR X 10 -3.658 2.791 2.753 1.00 0.00 N ATOM 132 CA TYR X 10 -4.771 2.981 3.681 1.00 0.00 C ATOM 133 C TYR X 10 -5.981 2.100 3.358 1.00 0.00 C ATOM 134 O TYR X 10 -6.440 1.332 4.201 1.00 0.00 O ATOM 135 CB TYR X 10 -5.194 4.453 3.672 1.00 0.00 C ATOM 136 CG TYR X 10 -6.334 4.776 4.614 1.00 0.00 C ATOM 137 CD1 TYR X 10 -6.283 4.413 5.953 1.00 0.00 C ATOM 138 CD2 TYR X 10 -7.463 5.445 4.158 1.00 0.00 C ATOM 139 CE1 TYR X 10 -7.326 4.704 6.812 1.00 0.00 C ATOM 140 CE2 TYR X 10 -8.509 5.742 5.009 1.00 0.00 C ATOM 141 CZ TYR X 10 -8.436 5.370 6.334 1.00 0.00 C ATOM 142 OH TYR X 10 -9.478 5.663 7.184 1.00 0.00 O ATOM 0 H TYR X 10 -3.534 3.554 2.087 1.00 0.00 H new ATOM 0 HA TYR X 10 -4.418 2.685 4.669 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -4.334 5.068 3.936 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -5.485 4.730 2.659 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -5.414 3.895 6.330 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -7.524 5.738 3.120 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -7.273 4.412 7.850 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -9.379 6.263 4.638 1.00 0.00 H new ATOM 0 HH TYR X 10 -10.181 6.135 6.690 1.00 0.00 H new ATOM 152 N ASP X 11 -6.519 2.254 2.155 1.00 0.00 N ATOM 153 CA ASP X 11 -7.713 1.518 1.732 1.00 0.00 C ATOM 154 C ASP X 11 -7.420 0.057 1.399 1.00 0.00 C ATOM 155 O ASP X 11 -8.278 -0.633 0.848 1.00 0.00 O ATOM 156 CB ASP X 11 -8.346 2.181 0.501 1.00 0.00 C ATOM 157 CG ASP X 11 -8.608 3.666 0.671 1.00 0.00 C ATOM 158 OD1 ASP X 11 -7.633 4.439 0.805 1.00 0.00 O ATOM 159 OD2 ASP X 11 -9.785 4.074 0.633 1.00 0.00 O ATOM 0 H ASP X 11 -6.147 2.887 1.447 1.00 0.00 H new ATOM 0 HA ASP X 11 -8.400 1.544 2.578 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -7.690 2.033 -0.357 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -9.287 1.679 0.273 1.00 0.00 H new ATOM 164 N HIS X 12 -6.222 -0.421 1.712 1.00 0.00 N ATOM 165 CA HIS X 12 -5.860 -1.812 1.423 1.00 0.00 C ATOM 166 C HIS X 12 -4.949 -2.361 2.519 1.00 0.00 C ATOM 167 O HIS X 12 -3.785 -2.687 2.269 1.00 0.00 O ATOM 168 CB HIS X 12 -5.152 -1.951 0.061 1.00 0.00 C ATOM 169 CG HIS X 12 -5.839 -1.271 -1.088 1.00 0.00 C ATOM 170 ND1 HIS X 12 -5.987 0.098 -1.185 1.00 0.00 N ATOM 171 CD2 HIS X 12 -6.418 -1.781 -2.194 1.00 0.00 C ATOM 172 CE1 HIS X 12 -6.632 0.394 -2.294 1.00 0.00 C ATOM 173 NE2 HIS X 12 -6.908 -0.729 -2.930 1.00 0.00 N ATOM 0 H HIS X 12 -5.487 0.125 2.162 1.00 0.00 H new ATOM 0 HA HIS X 12 -6.787 -2.384 1.387 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -4.143 -1.548 0.151 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.052 -3.011 -0.172 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -5.649 0.776 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -6.485 -2.827 -2.454 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -6.891 1.388 -2.627 1.00 0.00 H new ATOM 182 N PRO X 13 -5.464 -2.468 3.756 1.00 0.00 N ATOM 183 CA PRO X 13 -4.690 -2.975 4.890 1.00 0.00 C ATOM 184 C PRO X 13 -4.289 -4.437 4.715 1.00 0.00 C ATOM 185 O PRO X 13 -3.232 -4.856 5.179 1.00 0.00 O ATOM 186 CB PRO X 13 -5.638 -2.816 6.084 1.00 0.00 C ATOM 187 CG PRO X 13 -7.003 -2.758 5.491 1.00 0.00 C ATOM 188 CD PRO X 13 -6.840 -2.107 4.148 1.00 0.00 C ATOM 0 HA PRO X 13 -3.750 -2.435 5.007 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -5.544 -3.653 6.776 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -5.414 -1.910 6.647 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -7.429 -3.757 5.392 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -7.680 -2.184 6.124 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -7.572 -2.478 3.431 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.970 -1.026 4.207 1.00 0.00 H new ATOM 196 N GLU X 14 -5.143 -5.207 4.054 1.00 0.00 N ATOM 197 CA GLU X 14 -4.884 -6.625 3.826 1.00 0.00 C ATOM 198 C GLU X 14 -3.750 -6.839 2.819 1.00 0.00 C ATOM 199 O GLU X 14 -2.904 -7.712 3.011 1.00 0.00 O ATOM 200 CB GLU X 14 -6.167 -7.349 3.370 1.00 0.00 C ATOM 201 CG GLU X 14 -6.690 -6.946 1.992 1.00 0.00 C ATOM 202 CD GLU X 14 -6.954 -5.460 1.868 1.00 0.00 C ATOM 203 OE1 GLU X 14 -7.732 -4.923 2.678 1.00 0.00 O ATOM 204 OE2 GLU X 14 -6.348 -4.823 0.982 1.00 0.00 O ATOM 0 H GLU X 14 -6.025 -4.873 3.664 1.00 0.00 H new ATOM 0 HA GLU X 14 -4.564 -7.056 4.774 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -5.978 -8.422 3.369 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.950 -7.164 4.106 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -5.966 -7.245 1.234 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -7.611 -7.491 1.786 1.00 0.00 H new ATOM 211 N ILE X 15 -3.736 -6.052 1.747 1.00 0.00 N ATOM 212 CA ILE X 15 -2.705 -6.183 0.723 1.00 0.00 C ATOM 213 C ILE X 15 -1.336 -5.774 1.261 1.00 0.00 C ATOM 214 O ILE X 15 -0.372 -6.540 1.185 1.00 0.00 O ATOM 215 CB ILE X 15 -3.032 -5.336 -0.530 1.00 0.00 C ATOM 216 CG1 ILE X 15 -4.340 -5.813 -1.165 1.00 0.00 C ATOM 217 CG2 ILE X 15 -1.891 -5.410 -1.539 1.00 0.00 C ATOM 218 CD1 ILE X 15 -4.754 -5.018 -2.385 1.00 0.00 C ATOM 0 H ILE X 15 -4.423 -5.320 1.565 1.00 0.00 H new ATOM 0 HA ILE X 15 -2.680 -7.235 0.439 1.00 0.00 H new ATOM 0 HB ILE X 15 -3.152 -4.297 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -4.236 -6.861 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -5.135 -5.759 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -2.139 -4.808 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE X 15 -0.977 -5.029 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -1.740 -6.446 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -5.690 -5.416 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -4.892 -3.973 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -3.979 -5.092 -3.148 1.00 0.00 H new ATOM 230 N CYS X 16 -1.250 -4.568 1.796 1.00 0.00 N ATOM 231 CA CYS X 16 0.006 -4.067 2.331 1.00 0.00 C ATOM 232 C CYS X 16 0.401 -4.802 3.606 1.00 0.00 C ATOM 233 O CYS X 16 1.575 -5.109 3.815 1.00 0.00 O ATOM 234 CB CYS X 16 -0.081 -2.560 2.557 1.00 0.00 C ATOM 235 SG CYS X 16 -0.278 -1.630 1.005 1.00 0.00 S ATOM 0 H CYS X 16 -2.033 -3.918 1.872 1.00 0.00 H new ATOM 0 HA CYS X 16 0.791 -4.257 1.599 1.00 0.00 H new ATOM 0 HB2 CYS X 16 -0.922 -2.343 3.216 1.00 0.00 H new ATOM 0 HB3 CYS X 16 0.820 -2.220 3.068 1.00 0.00 H new ATOM 240 N GLY X 17 -0.581 -5.111 4.442 1.00 0.00 N ATOM 241 CA GLY X 17 -0.317 -5.832 5.674 1.00 0.00 C ATOM 242 C GLY X 17 -0.210 -7.330 5.452 1.00 0.00 C ATOM 243 O GLY X 17 -0.795 -8.117 6.192 1.00 0.00 O ATOM 0 H GLY X 17 -1.561 -4.874 4.289 1.00 0.00 H new ATOM 0 HA2 GLY X 17 0.609 -5.465 6.116 1.00 0.00 H new ATOM 0 HA3 GLY X 17 -1.114 -5.629 6.389 1.00 0.00 H new ATOM 247 N GLY X 18 0.540 -7.716 4.430 1.00 0.00 N ATOM 248 CA GLY X 18 0.719 -9.118 4.119 1.00 0.00 C ATOM 249 C GLY X 18 1.673 -9.318 2.962 1.00 0.00 C ATOM 250 O GLY X 18 2.682 -10.008 3.092 1.00 0.00 O ATOM 0 H GLY X 18 1.031 -7.076 3.806 1.00 0.00 H new ATOM 0 HA2 GLY X 18 1.098 -9.640 4.998 1.00 0.00 H new ATOM 0 HA3 GLY X 18 -0.246 -9.563 3.876 1.00 0.00 H new ATOM 254 N ALA X 19 1.366 -8.698 1.829 1.00 0.00 N ATOM 255 CA ALA X 19 2.215 -8.803 0.653 1.00 0.00 C ATOM 256 C ALA X 19 3.386 -7.834 0.761 1.00 0.00 C ATOM 257 O ALA X 19 4.536 -8.211 0.532 1.00 0.00 O ATOM 258 CB ALA X 19 1.414 -8.537 -0.613 1.00 0.00 C ATOM 0 H ALA X 19 0.536 -8.119 1.702 1.00 0.00 H new ATOM 0 HA ALA X 19 2.608 -9.818 0.598 1.00 0.00 H new ATOM 0 HB1 ALA X 19 2.068 -8.620 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA X 19 0.608 -9.267 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA X 19 0.991 -7.533 -0.572 1.00 0.00 H new ATOM 264 N ALA X 20 3.064 -6.589 1.124 1.00 0.00 N ATOM 265 CA ALA X 20 4.045 -5.509 1.295 1.00 0.00 C ATOM 266 C ALA X 20 4.803 -5.200 0.002 1.00 0.00 C ATOM 267 O ALA X 20 4.526 -4.203 -0.662 1.00 0.00 O ATOM 268 CB ALA X 20 5.017 -5.839 2.421 1.00 0.00 C ATOM 0 H ALA X 20 2.104 -6.298 1.310 1.00 0.00 H new ATOM 0 HA ALA X 20 3.488 -4.611 1.561 1.00 0.00 H new ATOM 0 HB1 ALA X 20 5.735 -5.027 2.531 1.00 0.00 H new ATOM 0 HB2 ALA X 20 4.465 -5.965 3.353 1.00 0.00 H new ATOM 0 HB3 ALA X 20 5.547 -6.762 2.186 1.00 0.00 H new ATOM 274 N GLY X 21 5.748 -6.063 -0.352 1.00 0.00 N ATOM 275 CA GLY X 21 6.522 -5.874 -1.562 1.00 0.00 C ATOM 276 C GLY X 21 5.715 -6.186 -2.803 1.00 0.00 C ATOM 277 O GLY X 21 5.839 -5.512 -3.823 1.00 0.00 O ATOM 0 H GLY X 21 5.992 -6.896 0.183 1.00 0.00 H new ATOM 0 HA2 GLY X 21 6.876 -4.844 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY X 21 7.404 -6.514 -1.532 1.00 0.00 H new ATOM 281 N GLY X 22 4.877 -7.211 -2.707 1.00 0.00 N ATOM 282 CA GLY X 22 4.042 -7.606 -3.826 1.00 0.00 C ATOM 283 C GLY X 22 2.811 -6.731 -3.964 1.00 0.00 C ATOM 284 O GLY X 22 1.690 -7.233 -4.038 1.00 0.00 O ATOM 0 H GLY X 22 4.760 -7.779 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY X 22 4.625 -7.557 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY X 22 3.735 -8.644 -3.698 1.00 0.00 H new TER 288 GLY X 22