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 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 HE2:sc= 0.862 K(o=0.86,f=-4.1!) USER MOD Single : X 4 SER OG : rot 180:sc= 0 USER MOD Single : X 9 ASN : amide:sc= -0.403 K(o=-0.4,f=-3.1!) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= 0.785 K(o=0.78,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 3.329 -5.293 -3.943 1.00 0.00 N ATOM 2 CA GLY X 1 2.065 -4.777 -4.427 1.00 0.00 C ATOM 3 C GLY X 1 2.218 -3.409 -5.058 1.00 0.00 C ATOM 4 O GLY X 1 2.970 -3.238 -6.017 1.00 0.00 O ATOM 0 H1 GLY X 1 3.181 -6.231 -3.518 1.00 0.00 H new ATOM 0 H2 GLY X 1 3.998 -5.373 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY X 1 1.646 -5.469 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY X 1 1.356 -4.719 -3.601 1.00 0.00 H new ATOM 8 N HIS X 2 1.522 -2.433 -4.506 1.00 0.00 N ATOM 9 CA HIS X 2 1.590 -1.066 -4.997 1.00 0.00 C ATOM 10 C HIS X 2 1.270 -0.130 -3.849 1.00 0.00 C ATOM 11 O HIS X 2 0.577 0.871 -4.013 1.00 0.00 O ATOM 12 CB HIS X 2 0.599 -0.852 -6.148 1.00 0.00 C ATOM 13 CG HIS X 2 0.975 0.268 -7.079 1.00 0.00 C ATOM 14 ND1 HIS X 2 0.939 1.604 -6.728 1.00 0.00 N ATOM 15 CD2 HIS X 2 1.410 0.236 -8.362 1.00 0.00 C ATOM 16 CE1 HIS X 2 1.333 2.339 -7.749 1.00 0.00 C ATOM 17 NE2 HIS X 2 1.625 1.534 -8.753 1.00 0.00 N ATOM 0 H HIS X 2 0.897 -2.562 -3.710 1.00 0.00 H new ATOM 0 HA HIS X 2 2.591 -0.864 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS X 2 0.519 -1.776 -6.721 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -0.387 -0.649 -5.731 1.00 0.00 H new ATOM 0 HD1 HIS X 2 0.652 1.966 -5.819 1.00 0.00 H new ATOM 0 HD2 HIS X 2 1.560 -0.647 -8.965 1.00 0.00 H new ATOM 0 HE1 HIS X 2 1.405 3.417 -7.762 1.00 0.00 H new ATOM 26 N CYS X 3 1.769 -0.487 -2.675 1.00 0.00 N ATOM 27 CA CYS X 3 1.531 0.290 -1.466 1.00 0.00 C ATOM 28 C CYS X 3 2.408 1.536 -1.406 1.00 0.00 C ATOM 29 O CYS X 3 2.737 2.030 -0.329 1.00 0.00 O ATOM 30 CB CYS X 3 1.759 -0.591 -0.242 1.00 0.00 C ATOM 31 SG CYS X 3 0.755 -2.110 -0.263 1.00 0.00 S ATOM 0 H CYS X 3 2.346 -1.316 -2.533 1.00 0.00 H new ATOM 0 HA CYS X 3 0.496 0.632 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS X 3 2.814 -0.860 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS X 3 1.527 -0.021 0.658 1.00 0.00 H new ATOM 36 N SER X 4 2.747 2.063 -2.571 1.00 0.00 N ATOM 37 CA SER X 4 3.535 3.271 -2.659 1.00 0.00 C ATOM 38 C SER X 4 2.615 4.447 -2.374 1.00 0.00 C ATOM 39 O SER X 4 2.981 5.404 -1.690 1.00 0.00 O ATOM 40 CB SER X 4 4.152 3.392 -4.053 1.00 0.00 C ATOM 41 OG SER X 4 4.758 2.169 -4.441 1.00 0.00 O ATOM 0 H SER X 4 2.484 1.666 -3.473 1.00 0.00 H new ATOM 0 HA SER X 4 4.350 3.253 -1.936 1.00 0.00 H new ATOM 0 HB2 SER X 4 3.382 3.667 -4.774 1.00 0.00 H new ATOM 0 HB3 SER X 4 4.895 4.190 -4.059 1.00 0.00 H new ATOM 0 HG SER X 4 5.146 2.265 -5.336 1.00 0.00 H new ATOM 47 N ASP X 5 1.403 4.340 -2.904 1.00 0.00 N ATOM 48 CA ASP X 5 0.385 5.353 -2.726 1.00 0.00 C ATOM 49 C ASP X 5 -0.133 5.284 -1.300 1.00 0.00 C ATOM 50 O ASP X 5 -0.551 4.216 -0.845 1.00 0.00 O ATOM 51 CB ASP X 5 -0.832 5.152 -3.664 1.00 0.00 C ATOM 52 CG ASP X 5 -0.557 4.472 -5.005 1.00 0.00 C ATOM 53 OD1 ASP X 5 0.417 3.697 -5.127 1.00 0.00 O ATOM 54 OD2 ASP X 5 -1.381 4.659 -5.927 1.00 0.00 O ATOM 0 H ASP X 5 1.104 3.545 -3.469 1.00 0.00 H new ATOM 0 HA ASP X 5 0.849 6.312 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -1.580 4.565 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -1.275 6.128 -3.861 1.00 0.00 H new ATOM 59 N PRO X 6 -0.159 6.413 -0.577 1.00 0.00 N ATOM 60 CA PRO X 6 -0.679 6.448 0.791 1.00 0.00 C ATOM 61 C PRO X 6 -2.138 6.004 0.806 1.00 0.00 C ATOM 62 O PRO X 6 -2.641 5.463 1.788 1.00 0.00 O ATOM 63 CB PRO X 6 -0.547 7.920 1.201 1.00 0.00 C ATOM 64 CG PRO X 6 -0.396 8.675 -0.079 1.00 0.00 C ATOM 65 CD PRO X 6 0.283 7.738 -1.038 1.00 0.00 C ATOM 0 HA PRO X 6 -0.147 5.782 1.470 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -1.425 8.254 1.753 1.00 0.00 H new ATOM 0 HB3 PRO X 6 0.315 8.071 1.851 1.00 0.00 H new ATOM 0 HG2 PRO X 6 -1.367 8.990 -0.463 1.00 0.00 H new ATOM 0 HG3 PRO X 6 0.196 9.578 0.069 1.00 0.00 H new ATOM 0 HD2 PRO X 6 -0.018 7.928 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO X 6 1.368 7.837 -0.999 1.00 0.00 H new ATOM 73 N ARG X 7 -2.788 6.236 -0.327 1.00 0.00 N ATOM 74 CA ARG X 7 -4.181 5.879 -0.536 1.00 0.00 C ATOM 75 C ARG X 7 -4.378 4.358 -0.543 1.00 0.00 C ATOM 76 O ARG X 7 -5.242 3.842 0.157 1.00 0.00 O ATOM 77 CB ARG X 7 -4.642 6.472 -1.869 1.00 0.00 C ATOM 78 CG ARG X 7 -6.008 5.996 -2.325 1.00 0.00 C ATOM 79 CD ARG X 7 -6.187 6.191 -3.824 1.00 0.00 C ATOM 80 NE ARG X 7 -5.105 5.568 -4.602 1.00 0.00 N ATOM 81 CZ ARG X 7 -4.912 4.247 -4.717 1.00 0.00 C ATOM 82 NH1 ARG X 7 -5.716 3.385 -4.101 1.00 0.00 N ATOM 83 NH2 ARG X 7 -3.887 3.784 -5.427 1.00 0.00 N ATOM 0 H ARG X 7 -2.355 6.683 -1.135 1.00 0.00 H new ATOM 0 HA ARG X 7 -4.774 6.281 0.285 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -4.659 7.559 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -3.909 6.224 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -6.131 4.942 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -6.784 6.543 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -7.143 5.767 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -6.224 7.257 -4.047 1.00 0.00 H new ATOM 0 HE ARG X 7 -4.455 6.186 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -6.491 3.727 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -5.558 2.382 -4.197 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -3.248 4.435 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -3.740 2.778 -5.515 1.00 0.00 H new ATOM 97 N PHE X 8 -3.574 3.652 -1.343 1.00 0.00 N ATOM 98 CA PHE X 8 -3.676 2.193 -1.453 1.00 0.00 C ATOM 99 C PHE X 8 -3.485 1.518 -0.099 1.00 0.00 C ATOM 100 O PHE X 8 -4.143 0.523 0.198 1.00 0.00 O ATOM 101 CB PHE X 8 -2.656 1.649 -2.456 1.00 0.00 C ATOM 102 CG PHE X 8 -2.872 0.199 -2.806 1.00 0.00 C ATOM 103 CD1 PHE X 8 -4.123 -0.258 -3.192 1.00 0.00 C ATOM 104 CD2 PHE X 8 -1.825 -0.706 -2.750 1.00 0.00 C ATOM 105 CE1 PHE X 8 -4.323 -1.587 -3.515 1.00 0.00 C ATOM 106 CE2 PHE X 8 -2.020 -2.036 -3.072 1.00 0.00 C ATOM 107 CZ PHE X 8 -3.269 -2.476 -3.455 1.00 0.00 C ATOM 0 H PHE X 8 -2.845 4.066 -1.924 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.680 1.964 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.701 2.245 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.654 1.770 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.951 0.433 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -0.844 -0.368 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -5.303 -1.929 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -1.194 -2.730 -3.024 1.00 0.00 H new ATOM 0 HZ PHE X 8 -3.423 -3.515 -3.708 1.00 0.00 H new ATOM 117 N ASN X 9 -2.595 2.070 0.716 1.00 0.00 N ATOM 118 CA ASN X 9 -2.329 1.529 2.046 1.00 0.00 C ATOM 119 C ASN X 9 -3.600 1.543 2.889 1.00 0.00 C ATOM 120 O ASN X 9 -3.829 0.652 3.704 1.00 0.00 O ATOM 121 CB ASN X 9 -1.225 2.329 2.745 1.00 0.00 C ATOM 122 CG ASN X 9 0.162 1.974 2.239 1.00 0.00 C ATOM 123 OD1 ASN X 9 0.666 0.882 2.489 1.00 0.00 O ATOM 124 ND2 ASN X 9 0.783 2.892 1.515 1.00 0.00 N ATOM 0 H ASN X 9 -2.043 2.894 0.480 1.00 0.00 H new ATOM 0 HA ASN X 9 -1.992 0.498 1.934 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -1.402 3.394 2.594 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -1.274 2.147 3.819 1.00 0.00 H new ATOM 0 HD21 ASN X 9 1.714 2.704 1.143 1.00 0.00 H new ATOM 0 HD22 ASN X 9 0.331 3.787 1.329 1.00 0.00 H new ATOM 131 N TYR X 10 -4.427 2.559 2.673 1.00 0.00 N ATOM 132 CA TYR X 10 -5.684 2.696 3.389 1.00 0.00 C ATOM 133 C TYR X 10 -6.769 1.841 2.734 1.00 0.00 C ATOM 134 O TYR X 10 -7.550 1.183 3.421 1.00 0.00 O ATOM 135 CB TYR X 10 -6.113 4.166 3.421 1.00 0.00 C ATOM 136 CG TYR X 10 -7.394 4.415 4.187 1.00 0.00 C ATOM 137 CD1 TYR X 10 -7.552 3.949 5.485 1.00 0.00 C ATOM 138 CD2 TYR X 10 -8.443 5.118 3.609 1.00 0.00 C ATOM 139 CE1 TYR X 10 -8.720 4.175 6.187 1.00 0.00 C ATOM 140 CE2 TYR X 10 -9.615 5.349 4.304 1.00 0.00 C ATOM 141 CZ TYR X 10 -9.748 4.875 5.592 1.00 0.00 C ATOM 142 OH TYR X 10 -10.914 5.103 6.287 1.00 0.00 O ATOM 0 H TYR X 10 -4.245 3.305 2.001 1.00 0.00 H new ATOM 0 HA TYR X 10 -5.542 2.348 4.412 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -5.314 4.758 3.867 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -6.239 4.520 2.398 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -6.748 3.401 5.954 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -8.341 5.490 2.600 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -8.827 3.805 7.196 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -10.422 5.898 3.841 1.00 0.00 H new ATOM 0 HH TYR X 10 -11.536 5.611 5.725 1.00 0.00 H new ATOM 152 N ASP X 11 -6.812 1.869 1.403 1.00 0.00 N ATOM 153 CA ASP X 11 -7.803 1.108 0.637 1.00 0.00 C ATOM 154 C ASP X 11 -7.648 -0.389 0.857 1.00 0.00 C ATOM 155 O ASP X 11 -8.630 -1.133 0.848 1.00 0.00 O ATOM 156 CB ASP X 11 -7.685 1.379 -0.870 1.00 0.00 C ATOM 157 CG ASP X 11 -8.076 2.784 -1.275 1.00 0.00 C ATOM 158 OD1 ASP X 11 -9.133 3.265 -0.830 1.00 0.00 O ATOM 159 OD2 ASP X 11 -7.336 3.392 -2.080 1.00 0.00 O ATOM 0 H ASP X 11 -6.169 2.413 0.828 1.00 0.00 H new ATOM 0 HA ASP X 11 -8.778 1.437 0.995 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -6.657 1.194 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -8.314 0.669 -1.407 1.00 0.00 H new ATOM 164 N HIS X 12 -6.409 -0.837 1.008 1.00 0.00 N ATOM 165 CA HIS X 12 -6.132 -2.255 1.185 1.00 0.00 C ATOM 166 C HIS X 12 -5.010 -2.501 2.184 1.00 0.00 C ATOM 167 O HIS X 12 -3.892 -2.867 1.808 1.00 0.00 O ATOM 168 CB HIS X 12 -5.792 -2.886 -0.162 1.00 0.00 C ATOM 169 CG HIS X 12 -7.006 -3.213 -0.963 1.00 0.00 C ATOM 170 ND1 HIS X 12 -7.857 -4.238 -0.633 1.00 0.00 N ATOM 171 CD2 HIS X 12 -7.536 -2.621 -2.057 1.00 0.00 C ATOM 172 CE1 HIS X 12 -8.860 -4.271 -1.484 1.00 0.00 C ATOM 173 NE2 HIS X 12 -8.694 -3.296 -2.364 1.00 0.00 N ATOM 0 H HIS X 12 -5.582 -0.240 1.011 1.00 0.00 H new ATOM 0 HA HIS X 12 -7.030 -2.721 1.591 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -5.159 -2.204 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.213 -3.795 0.002 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -7.731 -4.877 0.152 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -7.126 -1.776 -2.590 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -9.680 -4.974 -1.467 1.00 0.00 H new ATOM 182 N PRO X 13 -5.301 -2.317 3.478 1.00 0.00 N ATOM 183 CA PRO X 13 -4.325 -2.528 4.543 1.00 0.00 C ATOM 184 C PRO X 13 -3.901 -3.990 4.654 1.00 0.00 C ATOM 185 O PRO X 13 -2.755 -4.288 4.995 1.00 0.00 O ATOM 186 CB PRO X 13 -5.063 -2.083 5.811 1.00 0.00 C ATOM 187 CG PRO X 13 -6.510 -2.190 5.474 1.00 0.00 C ATOM 188 CD PRO X 13 -6.615 -1.900 4.005 1.00 0.00 C ATOM 0 HA PRO X 13 -3.403 -1.975 4.363 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -4.808 -2.718 6.659 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -4.796 -1.062 6.085 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -6.892 -3.185 5.704 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -7.099 -1.481 6.055 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -7.429 -2.459 3.543 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.806 -0.844 3.817 1.00 0.00 H new ATOM 196 N GLU X 14 -4.828 -4.904 4.368 1.00 0.00 N ATOM 197 CA GLU X 14 -4.540 -6.330 4.446 1.00 0.00 C ATOM 198 C GLU X 14 -3.526 -6.745 3.379 1.00 0.00 C ATOM 199 O GLU X 14 -2.624 -7.537 3.653 1.00 0.00 O ATOM 200 CB GLU X 14 -5.828 -7.173 4.355 1.00 0.00 C ATOM 201 CG GLU X 14 -6.516 -7.193 2.991 1.00 0.00 C ATOM 202 CD GLU X 14 -6.928 -5.822 2.501 1.00 0.00 C ATOM 203 OE1 GLU X 14 -7.467 -5.037 3.300 1.00 0.00 O ATOM 204 OE2 GLU X 14 -6.716 -5.531 1.308 1.00 0.00 O ATOM 0 H GLU X 14 -5.781 -4.680 4.081 1.00 0.00 H new ATOM 0 HA GLU X 14 -4.095 -6.524 5.422 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -5.589 -8.199 4.635 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.537 -6.799 5.093 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -5.844 -7.644 2.261 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -7.399 -7.830 3.048 1.00 0.00 H new ATOM 211 N ILE X 15 -3.656 -6.194 2.173 1.00 0.00 N ATOM 212 CA ILE X 15 -2.726 -6.508 1.093 1.00 0.00 C ATOM 213 C ILE X 15 -1.330 -6.005 1.442 1.00 0.00 C ATOM 214 O ILE X 15 -0.342 -6.733 1.322 1.00 0.00 O ATOM 215 CB ILE X 15 -3.170 -5.889 -0.255 1.00 0.00 C ATOM 216 CG1 ILE X 15 -4.481 -6.522 -0.728 1.00 0.00 C ATOM 217 CG2 ILE X 15 -2.084 -6.060 -1.312 1.00 0.00 C ATOM 218 CD1 ILE X 15 -4.983 -5.968 -2.046 1.00 0.00 C ATOM 0 H ILE X 15 -4.391 -5.533 1.922 1.00 0.00 H new ATOM 0 HA ILE X 15 -2.717 -7.592 0.980 1.00 0.00 H new ATOM 0 HB ILE X 15 -3.334 -4.822 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -4.340 -7.598 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -5.244 -6.369 0.035 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -2.417 -5.618 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE X 15 -1.172 -5.563 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -1.885 -7.121 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -5.915 -6.463 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -5.157 -4.896 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -4.239 -6.145 -2.822 1.00 0.00 H new ATOM 230 N CYS X 16 -1.260 -4.756 1.882 1.00 0.00 N ATOM 231 CA CYS X 16 0.005 -4.144 2.255 1.00 0.00 C ATOM 232 C CYS X 16 0.627 -4.847 3.455 1.00 0.00 C ATOM 233 O CYS X 16 1.834 -5.093 3.479 1.00 0.00 O ATOM 234 CB CYS X 16 -0.200 -2.658 2.539 1.00 0.00 C ATOM 235 SG CYS X 16 -0.724 -1.721 1.070 1.00 0.00 S ATOM 0 H CYS X 16 -2.070 -4.145 1.989 1.00 0.00 H new ATOM 0 HA CYS X 16 0.698 -4.250 1.421 1.00 0.00 H new ATOM 0 HB2 CYS X 16 -0.949 -2.543 3.323 1.00 0.00 H new ATOM 0 HB3 CYS X 16 0.729 -2.235 2.921 1.00 0.00 H new ATOM 240 N GLY X 17 -0.200 -5.180 4.439 1.00 0.00 N ATOM 241 CA GLY X 17 0.286 -5.862 5.622 1.00 0.00 C ATOM 242 C GLY X 17 0.776 -7.264 5.319 1.00 0.00 C ATOM 243 O GLY X 17 1.810 -7.687 5.830 1.00 0.00 O ATOM 0 H GLY X 17 -1.202 -4.989 4.438 1.00 0.00 H new ATOM 0 HA2 GLY X 17 1.097 -5.284 6.064 1.00 0.00 H new ATOM 0 HA3 GLY X 17 -0.511 -5.911 6.364 1.00 0.00 H new ATOM 247 N GLY X 18 0.026 -7.982 4.489 1.00 0.00 N ATOM 248 CA GLY X 18 0.395 -9.338 4.130 1.00 0.00 C ATOM 249 C GLY X 18 1.663 -9.400 3.299 1.00 0.00 C ATOM 250 O GLY X 18 2.523 -10.247 3.532 1.00 0.00 O ATOM 0 H GLY X 18 -0.835 -7.646 4.057 1.00 0.00 H new ATOM 0 HA2 GLY X 18 0.532 -9.925 5.038 1.00 0.00 H new ATOM 0 HA3 GLY X 18 -0.422 -9.797 3.573 1.00 0.00 H new ATOM 254 N ALA X 19 1.774 -8.505 2.323 1.00 0.00 N ATOM 255 CA ALA X 19 2.945 -8.463 1.456 1.00 0.00 C ATOM 256 C ALA X 19 4.166 -7.959 2.213 1.00 0.00 C ATOM 257 O ALA X 19 5.256 -8.515 2.092 1.00 0.00 O ATOM 258 CB ALA X 19 2.676 -7.588 0.240 1.00 0.00 C ATOM 0 H ALA X 19 1.068 -7.800 2.113 1.00 0.00 H new ATOM 0 HA ALA X 19 3.151 -9.478 1.117 1.00 0.00 H new ATOM 0 HB1 ALA X 19 3.561 -7.568 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA X 19 1.834 -7.994 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA X 19 2.440 -6.575 0.566 1.00 0.00 H new ATOM 264 N ALA X 20 3.960 -6.896 2.995 1.00 0.00 N ATOM 265 CA ALA X 20 5.014 -6.278 3.801 1.00 0.00 C ATOM 266 C ALA X 20 6.210 -5.841 2.953 1.00 0.00 C ATOM 267 O ALA X 20 7.332 -5.745 3.449 1.00 0.00 O ATOM 268 CB ALA X 20 5.461 -7.225 4.909 1.00 0.00 C ATOM 0 H ALA X 20 3.053 -6.438 3.087 1.00 0.00 H new ATOM 0 HA ALA X 20 4.593 -5.379 4.250 1.00 0.00 H new ATOM 0 HB1 ALA X 20 6.245 -6.750 5.499 1.00 0.00 H new ATOM 0 HB2 ALA X 20 4.613 -7.458 5.553 1.00 0.00 H new ATOM 0 HB3 ALA X 20 5.845 -8.145 4.468 1.00 0.00 H new ATOM 274 N GLY X 21 5.968 -5.571 1.676 1.00 0.00 N ATOM 275 CA GLY X 21 7.042 -5.147 0.802 1.00 0.00 C ATOM 276 C GLY X 21 6.775 -5.469 -0.654 1.00 0.00 C ATOM 277 O GLY X 21 7.605 -6.086 -1.319 1.00 0.00 O ATOM 0 H GLY X 21 5.052 -5.638 1.233 1.00 0.00 H new ATOM 0 HA2 GLY X 21 7.190 -4.073 0.911 1.00 0.00 H new ATOM 0 HA3 GLY X 21 7.969 -5.630 1.112 1.00 0.00 H new ATOM 281 N GLY X 22 5.623 -5.051 -1.158 1.00 0.00 N ATOM 282 CA GLY X 22 5.296 -5.313 -2.543 1.00 0.00 C ATOM 283 C GLY X 22 3.985 -4.685 -2.959 1.00 0.00 C ATOM 284 O GLY X 22 3.571 -3.667 -2.395 1.00 0.00 O ATOM 0 H GLY X 22 4.913 -4.538 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY X 22 6.095 -4.933 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY X 22 5.246 -6.390 -2.703 1.00 0.00 H new TER 288 GLY X 22