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 HD1:sc= 0.642 K(o=0.64,f=-4.5!) USER MOD Single : X 4 SER OG : rot 180:sc= 0 USER MOD Single : X 9 ASN :FLIP amide:sc=-0.00345 F(o=-0.66,f=-0.0034) USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 2.983 -5.432 -4.143 1.00 0.00 N ATOM 2 CA GLY X 1 1.641 -4.924 -4.332 1.00 0.00 C ATOM 3 C GLY X 1 1.642 -3.492 -4.824 1.00 0.00 C ATOM 4 O GLY X 1 2.232 -3.179 -5.855 1.00 0.00 O ATOM 0 H1 GLY X 1 2.938 -6.415 -3.806 1.00 0.00 H new ATOM 0 H2 GLY X 1 3.497 -5.399 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY X 1 1.112 -5.553 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY X 1 1.095 -4.984 -3.391 1.00 0.00 H new ATOM 8 N HIS X 2 0.993 -2.622 -4.075 1.00 0.00 N ATOM 9 CA HIS X 2 0.923 -1.211 -4.419 1.00 0.00 C ATOM 10 C HIS X 2 0.939 -0.393 -3.134 1.00 0.00 C ATOM 11 O HIS X 2 0.261 0.619 -3.011 1.00 0.00 O ATOM 12 CB HIS X 2 -0.348 -0.931 -5.245 1.00 0.00 C ATOM 13 CG HIS X 2 -0.470 0.480 -5.750 1.00 0.00 C ATOM 14 ND1 HIS X 2 0.463 1.077 -6.570 1.00 0.00 N ATOM 15 CD2 HIS X 2 -1.426 1.415 -5.532 1.00 0.00 C ATOM 16 CE1 HIS X 2 0.087 2.318 -6.829 1.00 0.00 C ATOM 17 NE2 HIS X 2 -1.057 2.549 -6.212 1.00 0.00 N ATOM 0 H HIS X 2 0.502 -2.869 -3.216 1.00 0.00 H new ATOM 0 HA HIS X 2 1.781 -0.929 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS X 2 -0.368 -1.611 -6.097 1.00 0.00 H new ATOM 0 HB3 HIS X 2 -1.221 -1.160 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS X 2 -2.316 1.291 -4.933 1.00 0.00 H new ATOM 0 HE1 HIS X 2 0.626 3.025 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS X 2 -1.580 3.424 -6.236 1.00 0.00 H new ATOM 26 N CYS X 3 1.724 -0.858 -2.169 1.00 0.00 N ATOM 27 CA CYS X 3 1.827 -0.187 -0.877 1.00 0.00 C ATOM 28 C CYS X 3 2.405 1.217 -1.028 1.00 0.00 C ATOM 29 O CYS X 3 2.185 2.080 -0.181 1.00 0.00 O ATOM 30 CB CYS X 3 2.678 -1.007 0.095 1.00 0.00 C ATOM 31 SG CYS X 3 2.439 -0.541 1.840 1.00 0.00 S ATOM 0 H CYS X 3 2.298 -1.696 -2.256 1.00 0.00 H new ATOM 0 HA CYS X 3 0.820 -0.099 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS X 3 2.439 -2.063 -0.027 1.00 0.00 H new ATOM 0 HB3 CYS X 3 3.730 -0.886 -0.164 1.00 0.00 H new ATOM 36 N SER X 4 3.136 1.440 -2.116 1.00 0.00 N ATOM 37 CA SER X 4 3.741 2.736 -2.398 1.00 0.00 C ATOM 38 C SER X 4 2.682 3.742 -2.865 1.00 0.00 C ATOM 39 O SER X 4 2.817 4.359 -3.922 1.00 0.00 O ATOM 40 CB SER X 4 4.816 2.566 -3.471 1.00 0.00 C ATOM 41 OG SER X 4 5.582 1.396 -3.232 1.00 0.00 O ATOM 0 H SER X 4 3.325 0.730 -2.824 1.00 0.00 H new ATOM 0 HA SER X 4 4.193 3.123 -1.485 1.00 0.00 H new ATOM 0 HB2 SER X 4 4.349 2.507 -4.454 1.00 0.00 H new ATOM 0 HB3 SER X 4 5.469 3.439 -3.480 1.00 0.00 H new ATOM 0 HG SER X 4 6.264 1.303 -3.930 1.00 0.00 H new ATOM 47 N ASP X 5 1.627 3.883 -2.074 1.00 0.00 N ATOM 48 CA ASP X 5 0.529 4.788 -2.381 1.00 0.00 C ATOM 49 C ASP X 5 -0.307 4.992 -1.123 1.00 0.00 C ATOM 50 O ASP X 5 -0.874 4.037 -0.590 1.00 0.00 O ATOM 51 CB ASP X 5 -0.322 4.192 -3.510 1.00 0.00 C ATOM 52 CG ASP X 5 -1.388 5.126 -4.060 1.00 0.00 C ATOM 53 OD1 ASP X 5 -1.821 6.063 -3.358 1.00 0.00 O ATOM 54 OD2 ASP X 5 -1.825 4.895 -5.211 1.00 0.00 O ATOM 0 H ASP X 5 1.509 3.372 -1.199 1.00 0.00 H new ATOM 0 HA ASP X 5 0.913 5.753 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP X 5 0.337 3.894 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -0.805 3.286 -3.144 1.00 0.00 H new ATOM 59 N PRO X 6 -0.375 6.237 -0.625 1.00 0.00 N ATOM 60 CA PRO X 6 -1.129 6.574 0.591 1.00 0.00 C ATOM 61 C PRO X 6 -2.587 6.136 0.513 1.00 0.00 C ATOM 62 O PRO X 6 -3.191 5.765 1.519 1.00 0.00 O ATOM 63 CB PRO X 6 -1.034 8.101 0.659 1.00 0.00 C ATOM 64 CG PRO X 6 0.198 8.439 -0.104 1.00 0.00 C ATOM 65 CD PRO X 6 0.296 7.416 -1.200 1.00 0.00 C ATOM 0 HA PRO X 6 -0.727 6.068 1.469 1.00 0.00 H new ATOM 0 HB2 PRO X 6 -1.913 8.572 0.220 1.00 0.00 H new ATOM 0 HB3 PRO X 6 -0.968 8.448 1.690 1.00 0.00 H new ATOM 0 HG2 PRO X 6 0.139 9.447 -0.514 1.00 0.00 H new ATOM 0 HG3 PRO X 6 1.077 8.408 0.540 1.00 0.00 H new ATOM 0 HD2 PRO X 6 -0.197 7.755 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO X 6 1.333 7.202 -1.459 1.00 0.00 H new ATOM 73 N ARG X 7 -3.141 6.173 -0.689 1.00 0.00 N ATOM 74 CA ARG X 7 -4.522 5.772 -0.906 1.00 0.00 C ATOM 75 C ARG X 7 -4.671 4.272 -0.698 1.00 0.00 C ATOM 76 O ARG X 7 -5.610 3.817 -0.045 1.00 0.00 O ATOM 77 CB ARG X 7 -4.956 6.155 -2.318 1.00 0.00 C ATOM 78 CG ARG X 7 -4.829 7.641 -2.600 1.00 0.00 C ATOM 79 CD ARG X 7 -4.964 7.940 -4.082 1.00 0.00 C ATOM 80 NE ARG X 7 -3.921 7.280 -4.864 1.00 0.00 N ATOM 81 CZ ARG X 7 -3.779 7.406 -6.181 1.00 0.00 C ATOM 82 NH1 ARG X 7 -4.587 8.206 -6.870 1.00 0.00 N ATOM 83 NH2 ARG X 7 -2.824 6.731 -6.805 1.00 0.00 N ATOM 0 H ARG X 7 -2.653 6.478 -1.532 1.00 0.00 H new ATOM 0 HA ARG X 7 -5.159 6.288 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG X 7 -4.354 5.602 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG X 7 -5.992 5.850 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG X 7 -5.595 8.184 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG X 7 -3.864 7.999 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG X 7 -5.943 7.612 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG X 7 -4.912 9.017 -4.242 1.00 0.00 H new ATOM 0 HE ARG X 7 -3.259 6.684 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG X 7 -5.320 8.727 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG X 7 -4.474 8.299 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG X 7 -2.203 6.119 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG X 7 -2.710 6.824 -7.814 1.00 0.00 H new ATOM 97 N PHE X 8 -3.725 3.523 -1.252 1.00 0.00 N ATOM 98 CA PHE X 8 -3.720 2.067 -1.139 1.00 0.00 C ATOM 99 C PHE X 8 -3.549 1.643 0.314 1.00 0.00 C ATOM 100 O PHE X 8 -4.073 0.617 0.744 1.00 0.00 O ATOM 101 CB PHE X 8 -2.595 1.463 -1.977 1.00 0.00 C ATOM 102 CG PHE X 8 -2.815 0.015 -2.314 1.00 0.00 C ATOM 103 CD1 PHE X 8 -3.770 -0.354 -3.247 1.00 0.00 C ATOM 104 CD2 PHE X 8 -2.070 -0.976 -1.697 1.00 0.00 C ATOM 105 CE1 PHE X 8 -3.977 -1.683 -3.559 1.00 0.00 C ATOM 106 CE2 PHE X 8 -2.271 -2.307 -2.005 1.00 0.00 C ATOM 107 CZ PHE X 8 -3.226 -2.660 -2.939 1.00 0.00 C ATOM 0 H PHE X 8 -2.945 3.903 -1.788 1.00 0.00 H new ATOM 0 HA PHE X 8 -4.677 1.701 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE X 8 -2.494 2.032 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE X 8 -1.654 1.564 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE X 8 -4.360 0.407 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE X 8 -1.323 -0.705 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE X 8 -4.726 -1.957 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE X 8 -1.683 -3.070 -1.517 1.00 0.00 H new ATOM 0 HZ PHE X 8 -3.384 -3.700 -3.183 1.00 0.00 H new ATOM 117 N ASN X 9 -2.803 2.442 1.063 1.00 0.00 N ATOM 118 CA ASN X 9 -2.552 2.168 2.473 1.00 0.00 C ATOM 119 C ASN X 9 -3.856 2.177 3.259 1.00 0.00 C ATOM 120 O ASN X 9 -3.984 1.509 4.282 1.00 0.00 O ATOM 121 CB ASN X 9 -1.596 3.210 3.068 1.00 0.00 C ATOM 122 CG ASN X 9 -0.183 3.128 2.514 1.00 0.00 C ATOM 123 OD1 ASN X 9 0.100 2.104 1.724 1.00 0.00 O flip ATOM 124 ND2 ASN X 9 0.653 3.981 2.803 1.00 0.00 N flip ATOM 0 H ASN X 9 -2.358 3.291 0.716 1.00 0.00 H new ATOM 0 HA ASN X 9 -2.094 1.182 2.544 1.00 0.00 H new ATOM 0 HB2 ASN X 9 -1.994 4.207 2.878 1.00 0.00 H new ATOM 0 HB3 ASN X 9 -1.561 3.082 4.150 1.00 0.00 H new ATOM 0 HD21 ASN X 9 0.400 4.757 3.415 1.00 0.00 H new ATOM 0 HD22 ASN X 9 1.600 3.913 2.431 1.00 0.00 H new ATOM 131 N TYR X 10 -4.813 2.959 2.782 1.00 0.00 N ATOM 132 CA TYR X 10 -6.098 3.083 3.441 1.00 0.00 C ATOM 133 C TYR X 10 -7.137 2.109 2.878 1.00 0.00 C ATOM 134 O TYR X 10 -7.887 1.494 3.637 1.00 0.00 O ATOM 135 CB TYR X 10 -6.608 4.520 3.302 1.00 0.00 C ATOM 136 CG TYR X 10 -7.883 4.793 4.069 1.00 0.00 C ATOM 137 CD1 TYR X 10 -7.989 4.470 5.416 1.00 0.00 C ATOM 138 CD2 TYR X 10 -8.979 5.371 3.443 1.00 0.00 C ATOM 139 CE1 TYR X 10 -9.153 4.715 6.118 1.00 0.00 C ATOM 140 CE2 TYR X 10 -10.147 5.621 4.139 1.00 0.00 C ATOM 141 CZ TYR X 10 -10.228 5.291 5.476 1.00 0.00 C ATOM 142 OH TYR X 10 -11.390 5.536 6.172 1.00 0.00 O ATOM 0 H TYR X 10 -4.719 3.519 1.935 1.00 0.00 H new ATOM 0 HA TYR X 10 -5.954 2.833 4.492 1.00 0.00 H new ATOM 0 HB2 TYR X 10 -5.834 5.205 3.647 1.00 0.00 H new ATOM 0 HB3 TYR X 10 -6.777 4.735 2.247 1.00 0.00 H new ATOM 0 HD1 TYR X 10 -7.148 4.020 5.922 1.00 0.00 H new ATOM 0 HD2 TYR X 10 -8.918 5.629 2.396 1.00 0.00 H new ATOM 0 HE1 TYR X 10 -9.220 4.457 7.164 1.00 0.00 H new ATOM 0 HE2 TYR X 10 -10.991 6.072 3.639 1.00 0.00 H new ATOM 0 HH TYR X 10 -12.049 5.946 5.574 1.00 0.00 H new ATOM 152 N ASP X 11 -7.212 2.001 1.555 1.00 0.00 N ATOM 153 CA ASP X 11 -8.206 1.135 0.920 1.00 0.00 C ATOM 154 C ASP X 11 -7.826 -0.349 0.990 1.00 0.00 C ATOM 155 O ASP X 11 -8.704 -1.210 1.073 1.00 0.00 O ATOM 156 CB ASP X 11 -8.471 1.574 -0.532 1.00 0.00 C ATOM 157 CG ASP X 11 -7.582 0.901 -1.561 1.00 0.00 C ATOM 158 OD1 ASP X 11 -6.348 0.924 -1.400 1.00 0.00 O ATOM 159 OD2 ASP X 11 -8.127 0.355 -2.543 1.00 0.00 O ATOM 0 H ASP X 11 -6.603 2.497 0.904 1.00 0.00 H new ATOM 0 HA ASP X 11 -9.130 1.246 1.487 1.00 0.00 H new ATOM 0 HB2 ASP X 11 -9.512 1.366 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP X 11 -8.336 2.653 -0.603 1.00 0.00 H new ATOM 164 N HIS X 12 -6.533 -0.659 0.952 1.00 0.00 N ATOM 165 CA HIS X 12 -6.090 -2.053 1.005 1.00 0.00 C ATOM 166 C HIS X 12 -4.814 -2.242 1.830 1.00 0.00 C ATOM 167 O HIS X 12 -3.809 -2.745 1.319 1.00 0.00 O ATOM 168 CB HIS X 12 -5.862 -2.606 -0.407 1.00 0.00 C ATOM 169 CG HIS X 12 -7.118 -2.980 -1.130 1.00 0.00 C ATOM 170 ND1 HIS X 12 -7.932 -4.025 -0.748 1.00 0.00 N ATOM 171 CD2 HIS X 12 -7.708 -2.427 -2.211 1.00 0.00 C ATOM 172 CE1 HIS X 12 -8.967 -4.092 -1.560 1.00 0.00 C ATOM 173 NE2 HIS X 12 -8.858 -3.132 -2.461 1.00 0.00 N ATOM 0 H HIS X 12 -5.780 0.026 0.886 1.00 0.00 H new ATOM 0 HA HIS X 12 -6.890 -2.605 1.498 1.00 0.00 H new ATOM 0 HB2 HIS X 12 -5.326 -1.861 -0.995 1.00 0.00 H new ATOM 0 HB3 HIS X 12 -5.219 -3.483 -0.342 1.00 0.00 H new ATOM 0 HD1 HIS X 12 -7.760 -4.649 0.040 1.00 0.00 H new ATOM 0 HD2 HIS X 12 -7.341 -1.583 -2.776 1.00 0.00 H new ATOM 0 HE1 HIS X 12 -9.770 -4.811 -1.499 1.00 0.00 H new ATOM 182 N PRO X 13 -4.833 -1.886 3.133 1.00 0.00 N ATOM 183 CA PRO X 13 -3.669 -2.070 4.010 1.00 0.00 C ATOM 184 C PRO X 13 -3.331 -3.550 4.138 1.00 0.00 C ATOM 185 O PRO X 13 -2.173 -3.935 4.303 1.00 0.00 O ATOM 186 CB PRO X 13 -4.127 -1.499 5.357 1.00 0.00 C ATOM 187 CG PRO X 13 -5.616 -1.521 5.303 1.00 0.00 C ATOM 188 CD PRO X 13 -5.985 -1.322 3.860 1.00 0.00 C ATOM 0 HA PRO X 13 -2.771 -1.581 3.632 1.00 0.00 H new ATOM 0 HB2 PRO X 13 -3.754 -2.099 6.187 1.00 0.00 H new ATOM 0 HB3 PRO X 13 -3.753 -0.486 5.503 1.00 0.00 H new ATOM 0 HG2 PRO X 13 -6.005 -2.468 5.678 1.00 0.00 H new ATOM 0 HG3 PRO X 13 -6.040 -0.733 5.926 1.00 0.00 H new ATOM 0 HD2 PRO X 13 -6.911 -1.838 3.607 1.00 0.00 H new ATOM 0 HD3 PRO X 13 -6.132 -0.268 3.624 1.00 0.00 H new ATOM 196 N GLU X 14 -4.376 -4.359 4.029 1.00 0.00 N ATOM 197 CA GLU X 14 -4.286 -5.811 4.094 1.00 0.00 C ATOM 198 C GLU X 14 -3.286 -6.355 3.076 1.00 0.00 C ATOM 199 O GLU X 14 -2.426 -7.165 3.414 1.00 0.00 O ATOM 200 CB GLU X 14 -5.670 -6.402 3.816 1.00 0.00 C ATOM 201 CG GLU X 14 -6.542 -5.483 2.969 1.00 0.00 C ATOM 202 CD GLU X 14 -7.527 -6.224 2.097 1.00 0.00 C ATOM 203 OE1 GLU X 14 -8.327 -7.006 2.631 1.00 0.00 O ATOM 204 OE2 GLU X 14 -7.502 -5.996 0.867 1.00 0.00 O ATOM 0 H GLU X 14 -5.327 -4.018 3.890 1.00 0.00 H new ATOM 0 HA GLU X 14 -3.939 -6.094 5.088 1.00 0.00 H new ATOM 0 HB2 GLU X 14 -5.556 -7.359 3.307 1.00 0.00 H new ATOM 0 HB3 GLU X 14 -6.172 -6.602 4.763 1.00 0.00 H new ATOM 0 HG2 GLU X 14 -7.088 -4.806 3.626 1.00 0.00 H new ATOM 0 HG3 GLU X 14 -5.901 -4.867 2.338 1.00 0.00 H new ATOM 211 N ILE X 15 -3.413 -5.902 1.832 1.00 0.00 N ATOM 212 CA ILE X 15 -2.532 -6.344 0.756 1.00 0.00 C ATOM 213 C ILE X 15 -1.077 -5.979 1.048 1.00 0.00 C ATOM 214 O ILE X 15 -0.171 -6.769 0.796 1.00 0.00 O ATOM 215 CB ILE X 15 -2.961 -5.754 -0.606 1.00 0.00 C ATOM 216 CG1 ILE X 15 -4.387 -6.207 -0.943 1.00 0.00 C ATOM 217 CG2 ILE X 15 -1.991 -6.173 -1.706 1.00 0.00 C ATOM 218 CD1 ILE X 15 -4.882 -5.727 -2.292 1.00 0.00 C ATOM 0 H ILE X 15 -4.121 -5.226 1.544 1.00 0.00 H new ATOM 0 HA ILE X 15 -2.615 -7.429 0.701 1.00 0.00 H new ATOM 0 HB ILE X 15 -2.943 -4.666 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE X 15 -4.427 -7.296 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE X 15 -5.065 -5.846 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE X 15 -2.312 -5.746 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE X 15 -0.991 -5.812 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE X 15 -1.976 -7.260 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE X 15 -5.897 -6.088 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE X 15 -4.877 -4.637 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE X 15 -4.229 -6.110 -3.076 1.00 0.00 H new ATOM 230 N CYS X 16 -0.857 -4.791 1.598 1.00 0.00 N ATOM 231 CA CYS X 16 0.497 -4.368 1.932 1.00 0.00 C ATOM 232 C CYS X 16 1.040 -5.212 3.078 1.00 0.00 C ATOM 233 O CYS X 16 2.179 -5.679 3.033 1.00 0.00 O ATOM 234 CB CYS X 16 0.547 -2.886 2.312 1.00 0.00 C ATOM 235 SG CYS X 16 2.213 -2.317 2.793 1.00 0.00 S ATOM 0 H CYS X 16 -1.586 -4.113 1.819 1.00 0.00 H new ATOM 0 HA CYS X 16 1.117 -4.510 1.047 1.00 0.00 H new ATOM 0 HB2 CYS X 16 0.197 -2.290 1.469 1.00 0.00 H new ATOM 0 HB3 CYS X 16 -0.142 -2.707 3.137 1.00 0.00 H new ATOM 240 N GLY X 17 0.209 -5.408 4.099 1.00 0.00 N ATOM 241 CA GLY X 17 0.607 -6.198 5.248 1.00 0.00 C ATOM 242 C GLY X 17 0.913 -7.637 4.884 1.00 0.00 C ATOM 243 O GLY X 17 1.914 -8.197 5.329 1.00 0.00 O ATOM 0 H GLY X 17 -0.737 -5.031 4.149 1.00 0.00 H new ATOM 0 HA2 GLY X 17 1.487 -5.748 5.707 1.00 0.00 H new ATOM 0 HA3 GLY X 17 -0.188 -6.176 5.993 1.00 0.00 H new ATOM 247 N GLY X 18 0.054 -8.234 4.065 1.00 0.00 N ATOM 248 CA GLY X 18 0.249 -9.611 3.645 1.00 0.00 C ATOM 249 C GLY X 18 1.251 -9.746 2.513 1.00 0.00 C ATOM 250 O GLY X 18 1.019 -10.486 1.558 1.00 0.00 O ATOM 0 H GLY X 18 -0.779 -7.786 3.682 1.00 0.00 H new ATOM 0 HA2 GLY X 18 0.588 -10.201 4.496 1.00 0.00 H new ATOM 0 HA3 GLY X 18 -0.707 -10.028 3.329 1.00 0.00 H new ATOM 254 N ALA X 19 2.368 -9.038 2.628 1.00 0.00 N ATOM 255 CA ALA X 19 3.423 -9.075 1.623 1.00 0.00 C ATOM 256 C ALA X 19 4.669 -8.375 2.143 1.00 0.00 C ATOM 257 O ALA X 19 5.765 -8.932 2.109 1.00 0.00 O ATOM 258 CB ALA X 19 2.959 -8.419 0.327 1.00 0.00 C ATOM 0 H ALA X 19 2.568 -8.424 3.418 1.00 0.00 H new ATOM 0 HA ALA X 19 3.661 -10.118 1.416 1.00 0.00 H new ATOM 0 HB1 ALA X 19 3.762 -8.458 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA X 19 2.088 -8.950 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA X 19 2.694 -7.379 0.520 1.00 0.00 H new ATOM 264 N ALA X 20 4.474 -7.151 2.634 1.00 0.00 N ATOM 265 CA ALA X 20 5.552 -6.329 3.187 1.00 0.00 C ATOM 266 C ALA X 20 6.696 -6.135 2.192 1.00 0.00 C ATOM 267 O ALA X 20 7.857 -6.018 2.582 1.00 0.00 O ATOM 268 CB ALA X 20 6.069 -6.936 4.487 1.00 0.00 C ATOM 0 H ALA X 20 3.560 -6.699 2.660 1.00 0.00 H new ATOM 0 HA ALA X 20 5.136 -5.343 3.396 1.00 0.00 H new ATOM 0 HB1 ALA X 20 6.870 -6.314 4.886 1.00 0.00 H new ATOM 0 HB2 ALA X 20 5.257 -6.990 5.212 1.00 0.00 H new ATOM 0 HB3 ALA X 20 6.451 -7.939 4.294 1.00 0.00 H new ATOM 274 N GLY X 21 6.367 -6.093 0.907 1.00 0.00 N ATOM 275 CA GLY X 21 7.388 -5.909 -0.103 1.00 0.00 C ATOM 276 C GLY X 21 6.859 -6.069 -1.513 1.00 0.00 C ATOM 277 O GLY X 21 7.462 -6.760 -2.331 1.00 0.00 O ATOM 0 H GLY X 21 5.416 -6.183 0.549 1.00 0.00 H new ATOM 0 HA2 GLY X 21 7.824 -4.916 0.005 1.00 0.00 H new ATOM 0 HA3 GLY X 21 8.190 -6.629 0.063 1.00 0.00 H new ATOM 281 N GLY X 22 5.736 -5.429 -1.806 1.00 0.00 N ATOM 282 CA GLY X 22 5.171 -5.524 -3.136 1.00 0.00 C ATOM 283 C GLY X 22 3.793 -4.907 -3.230 1.00 0.00 C ATOM 284 O GLY X 22 3.468 -3.973 -2.488 1.00 0.00 O ATOM 0 H GLY X 22 5.209 -4.850 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY X 22 5.835 -5.029 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY X 22 5.116 -6.572 -3.429 1.00 0.00 H new TER 288 GLY X 22