USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 242 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 Single : A 1 ARG N :NH3+ -178:sc= -0.842 (180deg=-0.845) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00305 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.598 -1.916 -9.089 1.00 23.35 N ATOM 2 CA ARG A 1 -1.399 -1.524 -8.366 1.00 55.23 C ATOM 3 C ARG A 1 -0.287 -1.150 -9.348 1.00 24.44 C ATOM 4 O ARG A 1 0.645 -0.430 -8.991 1.00 35.12 O ATOM 5 CB ARG A 1 -0.910 -2.652 -7.456 1.00 73.45 C ATOM 6 CG ARG A 1 -0.919 -3.993 -8.193 1.00 64.34 C ATOM 7 CD ARG A 1 0.195 -4.908 -7.680 1.00 3.02 C ATOM 8 NE ARG A 1 0.483 -5.963 -8.677 1.00 23.44 N ATOM 9 CZ ARG A 1 1.402 -6.938 -8.504 1.00 12.55 C ATOM 10 NH1 ARG A 1 2.130 -6.999 -7.369 1.00 3.54 N ATOM 11 NH2 ARG A 1 1.577 -7.829 -9.461 1.00 32.53 N ATOM 0 H1 ARG A 1 -3.356 -2.135 -8.411 1.00 23.35 H new ATOM 0 H2 ARG A 1 -2.901 -1.137 -9.707 1.00 23.35 H new ATOM 0 H3 ARG A 1 -2.396 -2.757 -9.666 1.00 23.35 H new ATOM 0 HA ARG A 1 -1.650 -0.661 -7.750 1.00 55.23 H new ATOM 0 HB2 ARG A 1 0.099 -2.431 -7.107 1.00 73.45 H new ATOM 0 HB3 ARG A 1 -1.546 -2.714 -6.573 1.00 73.45 H new ATOM 0 HG2 ARG A 1 -1.885 -4.480 -8.058 1.00 64.34 H new ATOM 0 HG3 ARG A 1 -0.793 -3.825 -9.263 1.00 64.34 H new ATOM 0 HD2 ARG A 1 1.095 -4.325 -7.485 1.00 3.02 H new ATOM 0 HD3 ARG A 1 -0.102 -5.361 -6.734 1.00 3.02 H new ATOM 0 HE ARG A 1 -0.045 -5.953 -9.549 1.00 23.44 H new ATOM 0 HH11 ARG A 1 1.988 -6.306 -6.634 1.00 3.54 H new ATOM 0 HH12 ARG A 1 2.822 -7.738 -7.246 1.00 3.54 H new ATOM 0 HH21 ARG A 1 1.023 -7.775 -10.315 1.00 32.53 H new ATOM 0 HH22 ARG A 1 2.267 -8.572 -9.346 1.00 32.53 H new ATOM 24 N GLY A 2 -0.420 -1.657 -10.564 1.00 63.15 N ATOM 25 CA GLY A 2 0.563 -1.386 -11.600 1.00 1.32 C ATOM 26 C GLY A 2 -0.118 -1.037 -12.925 1.00 32.52 C ATOM 27 O GLY A 2 -1.156 -0.378 -12.939 1.00 11.44 O ATOM 0 H GLY A 2 -1.194 -2.254 -10.856 1.00 63.15 H new ATOM 0 HA2 GLY A 2 1.206 -0.562 -11.290 1.00 1.32 H new ATOM 0 HA3 GLY A 2 1.204 -2.257 -11.735 1.00 1.32 H new ATOM 31 N LYS A 3 0.494 -1.497 -14.007 1.00 15.34 N ATOM 32 CA LYS A 3 -0.041 -1.242 -15.334 1.00 0.04 C ATOM 33 C LYS A 3 -0.168 -2.566 -16.090 1.00 41.33 C ATOM 34 O LYS A 3 0.748 -3.387 -16.070 1.00 13.14 O ATOM 35 CB LYS A 3 0.807 -0.197 -16.061 1.00 52.51 C ATOM 36 CG LYS A 3 0.887 1.102 -15.255 1.00 60.42 C ATOM 37 CD LYS A 3 -0.035 2.171 -15.845 1.00 31.24 C ATOM 38 CE LYS A 3 0.594 3.561 -15.730 1.00 72.21 C ATOM 39 NZ LYS A 3 0.063 4.274 -14.547 1.00 24.35 N ATOM 0 H LYS A 3 1.355 -2.044 -13.992 1.00 15.34 H new ATOM 0 HA LYS A 3 -1.042 -0.816 -15.267 1.00 0.04 H new ATOM 0 HB2 LYS A 3 1.811 -0.589 -16.226 1.00 52.51 H new ATOM 0 HB3 LYS A 3 0.378 0.006 -17.042 1.00 52.51 H new ATOM 0 HG2 LYS A 3 0.609 0.909 -14.219 1.00 60.42 H new ATOM 0 HG3 LYS A 3 1.914 1.467 -15.247 1.00 60.42 H new ATOM 0 HD2 LYS A 3 -0.237 1.945 -16.892 1.00 31.24 H new ATOM 0 HD3 LYS A 3 -0.993 2.157 -15.325 1.00 31.24 H new ATOM 0 HE2 LYS A 3 1.677 3.471 -15.652 1.00 72.21 H new ATOM 0 HE3 LYS A 3 0.386 4.136 -16.632 1.00 72.21 H new ATOM 0 HZ1 LYS A 3 0.500 5.215 -14.484 1.00 24.35 H new ATOM 0 HZ2 LYS A 3 -0.968 4.376 -14.637 1.00 24.35 H new ATOM 0 HZ3 LYS A 3 0.283 3.732 -13.687 1.00 24.35 H new ATOM 52 N TRP A 4 -1.310 -2.732 -16.740 1.00 53.34 N ATOM 53 CA TRP A 4 -1.569 -3.942 -17.502 1.00 42.34 C ATOM 54 C TRP A 4 -0.838 -3.822 -18.841 1.00 74.25 C ATOM 55 O TRP A 4 -1.370 -3.254 -19.794 1.00 1.51 O ATOM 56 CB TRP A 4 -3.072 -4.179 -17.660 1.00 62.43 C ATOM 57 CG TRP A 4 -3.511 -5.612 -17.349 1.00 54.51 C ATOM 58 CD1 TRP A 4 -4.598 -6.013 -16.676 1.00 32.11 C ATOM 59 CD2 TRP A 4 -2.826 -6.823 -17.729 1.00 63.22 C ATOM 60 NE1 TRP A 4 -4.663 -7.389 -16.594 1.00 60.34 N ATOM 61 CE2 TRP A 4 -3.551 -7.897 -17.255 1.00 62.55 C ATOM 62 CE3 TRP A 4 -1.632 -7.005 -18.450 1.00 31.43 C ATOM 63 CZ2 TRP A 4 -3.164 -9.229 -17.450 1.00 12.11 C ATOM 64 CZ3 TRP A 4 -1.259 -8.342 -18.635 1.00 74.15 C ATOM 65 CH2 TRP A 4 -1.978 -9.435 -18.165 1.00 13.32 C ATOM 0 H TRP A 4 -2.067 -2.049 -16.755 1.00 53.34 H new ATOM 0 HA TRP A 4 -1.190 -4.818 -16.976 1.00 42.34 H new ATOM 0 HB2 TRP A 4 -3.609 -3.495 -17.003 1.00 62.43 H new ATOM 0 HB3 TRP A 4 -3.363 -3.934 -18.682 1.00 62.43 H new ATOM 0 HD1 TRP A 4 -5.331 -5.343 -16.251 1.00 32.11 H new ATOM 0 HE1 TRP A 4 -5.393 -7.933 -16.133 1.00 60.34 H new ATOM 0 HE3 TRP A 4 -1.049 -6.179 -18.831 1.00 31.43 H new ATOM 0 HZ2 TRP A 4 -3.749 -10.053 -17.069 1.00 12.11 H new ATOM 0 HZ3 TRP A 4 -0.348 -8.538 -19.181 1.00 74.15 H new ATOM 0 HH2 TRP A 4 -1.623 -10.438 -18.350 1.00 13.32 H new ATOM 76 N THR A 5 0.369 -4.368 -18.872 1.00 14.45 N ATOM 77 CA THR A 5 1.177 -4.329 -20.078 1.00 64.31 C ATOM 78 C THR A 5 1.446 -5.748 -20.586 1.00 15.55 C ATOM 79 O THR A 5 1.771 -6.639 -19.803 1.00 70.44 O ATOM 80 CB THR A 5 2.453 -3.544 -19.768 1.00 10.35 C ATOM 81 OG1 THR A 5 1.988 -2.230 -19.469 1.00 32.42 O ATOM 82 CG2 THR A 5 3.339 -3.354 -21.001 1.00 14.23 C ATOM 0 H THR A 5 0.807 -4.840 -18.081 1.00 14.45 H new ATOM 0 HA THR A 5 0.654 -3.820 -20.888 1.00 64.31 H new ATOM 0 HB THR A 5 3.017 -4.061 -18.992 1.00 10.35 H new ATOM 0 HG1 THR A 5 2.751 -1.654 -19.254 1.00 32.42 H new ATOM 0 HG21 THR A 5 4.231 -2.791 -20.725 1.00 14.23 H new ATOM 0 HG22 THR A 5 3.632 -4.328 -21.392 1.00 14.23 H new ATOM 0 HG23 THR A 5 2.787 -2.807 -21.765 1.00 14.23 H new ATOM 90 N TYR A 6 1.299 -5.912 -21.892 1.00 11.20 N ATOM 91 CA TYR A 6 1.521 -7.206 -22.513 1.00 62.42 C ATOM 92 C TYR A 6 2.355 -7.067 -23.789 1.00 14.24 C ATOM 93 O TYR A 6 3.478 -7.562 -23.858 1.00 23.44 O ATOM 94 CB TYR A 6 0.136 -7.742 -22.880 1.00 14.33 C ATOM 95 CG TYR A 6 0.157 -9.117 -23.549 1.00 30.43 C ATOM 96 CD1 TYR A 6 0.510 -9.233 -24.878 1.00 13.01 C ATOM 97 CD2 TYR A 6 -0.176 -10.243 -22.823 1.00 34.11 C ATOM 98 CE1 TYR A 6 0.530 -10.528 -25.508 1.00 12.24 C ATOM 99 CE2 TYR A 6 -0.156 -11.538 -23.453 1.00 13.04 C ATOM 100 CZ TYR A 6 0.196 -11.616 -24.764 1.00 32.41 C ATOM 101 OH TYR A 6 0.215 -12.839 -25.359 1.00 32.34 O ATOM 0 H TYR A 6 1.029 -5.170 -22.537 1.00 11.20 H new ATOM 0 HA TYR A 6 2.060 -7.868 -21.835 1.00 62.42 H new ATOM 0 HB2 TYR A 6 -0.471 -7.798 -21.977 1.00 14.33 H new ATOM 0 HB3 TYR A 6 -0.352 -7.032 -23.548 1.00 14.33 H new ATOM 0 HD1 TYR A 6 0.771 -8.352 -25.446 1.00 13.01 H new ATOM 0 HD2 TYR A 6 -0.452 -10.153 -21.783 1.00 34.11 H new ATOM 0 HE1 TYR A 6 0.804 -10.632 -26.547 1.00 12.24 H new ATOM 0 HE2 TYR A 6 -0.415 -12.427 -22.897 1.00 13.04 H new ATOM 0 HH TYR A 6 -0.044 -13.524 -24.708 1.00 32.34 H new ATOM 111 N ASN A 7 1.772 -6.390 -24.767 1.00 11.50 N ATOM 112 CA ASN A 7 2.447 -6.178 -26.036 1.00 73.44 C ATOM 113 C ASN A 7 3.144 -4.817 -26.018 1.00 53.52 C ATOM 114 O ASN A 7 4.346 -4.727 -26.263 1.00 72.10 O ATOM 115 CB ASN A 7 1.450 -6.184 -27.197 1.00 65.14 C ATOM 116 CG ASN A 7 1.596 -7.454 -28.039 1.00 2.32 C ATOM 117 OD1 ASN A 7 2.582 -7.664 -28.726 1.00 23.43 O ATOM 118 ND2 ASN A 7 0.562 -8.285 -27.947 1.00 42.03 N ATOM 0 H ASN A 7 0.840 -5.981 -24.706 1.00 11.50 H new ATOM 0 HA ASN A 7 3.167 -6.985 -26.174 1.00 73.44 H new ATOM 0 HB2 ASN A 7 0.434 -6.116 -26.809 1.00 65.14 H new ATOM 0 HB3 ASN A 7 1.611 -5.307 -27.824 1.00 65.14 H new ATOM 0 HD21 ASN A 7 0.563 -9.160 -28.471 1.00 42.03 H new ATOM 0 HD22 ASN A 7 -0.232 -8.047 -27.353 1.00 42.03 H new ATOM 125 N GLY A 8 2.359 -3.790 -25.726 1.00 0.24 N ATOM 126 CA GLY A 8 2.886 -2.437 -25.672 1.00 52.33 C ATOM 127 C GLY A 8 1.832 -1.458 -25.149 1.00 23.44 C ATOM 128 O GLY A 8 2.152 -0.543 -24.391 1.00 72.34 O ATOM 0 H GLY A 8 1.362 -3.868 -25.524 1.00 0.24 H new ATOM 0 HA2 GLY A 8 3.764 -2.410 -25.027 1.00 52.33 H new ATOM 0 HA3 GLY A 8 3.211 -2.130 -26.666 1.00 52.33 H new ATOM 132 N ILE A 9 0.598 -1.685 -25.573 1.00 32.12 N ATOM 133 CA ILE A 9 -0.505 -0.835 -25.156 1.00 64.11 C ATOM 134 C ILE A 9 -1.113 -1.391 -23.867 1.00 63.31 C ATOM 135 O ILE A 9 -1.279 -2.602 -23.727 1.00 12.11 O ATOM 136 CB ILE A 9 -1.516 -0.673 -26.293 1.00 64.01 C ATOM 137 CG1 ILE A 9 -2.084 -2.028 -26.719 1.00 32.35 C ATOM 138 CG2 ILE A 9 -0.900 0.085 -27.471 1.00 4.35 C ATOM 139 CD1 ILE A 9 -3.578 -2.120 -26.401 1.00 21.43 C ATOM 0 H ILE A 9 0.337 -2.445 -26.201 1.00 32.12 H new ATOM 0 HA ILE A 9 -0.148 0.170 -24.932 1.00 64.11 H new ATOM 0 HB ILE A 9 -2.350 -0.075 -25.925 1.00 64.01 H new ATOM 0 HG12 ILE A 9 -1.926 -2.173 -27.788 1.00 32.35 H new ATOM 0 HG13 ILE A 9 -1.549 -2.828 -26.207 1.00 32.35 H new ATOM 0 HG21 ILE A 9 -1.640 0.186 -28.265 1.00 4.35 H new ATOM 0 HG22 ILE A 9 -0.584 1.075 -27.141 1.00 4.35 H new ATOM 0 HG23 ILE A 9 -0.037 -0.465 -27.847 1.00 4.35 H new ATOM 0 HD11 ILE A 9 -3.957 -3.093 -26.714 1.00 21.43 H new ATOM 0 HD12 ILE A 9 -3.730 -1.999 -25.328 1.00 21.43 H new ATOM 0 HD13 ILE A 9 -4.113 -1.334 -26.934 1.00 21.43 H new ATOM 151 N THR A 10 -1.428 -0.480 -22.958 1.00 61.31 N ATOM 152 CA THR A 10 -2.014 -0.865 -21.685 1.00 40.43 C ATOM 153 C THR A 10 -3.371 -1.537 -21.904 1.00 65.32 C ATOM 154 O THR A 10 -4.130 -1.139 -22.786 1.00 0.20 O ATOM 155 CB THR A 10 -2.090 0.383 -20.804 1.00 2.53 C ATOM 156 OG1 THR A 10 -0.784 0.947 -20.887 1.00 3.13 O ATOM 157 CG2 THR A 10 -2.256 0.044 -19.321 1.00 24.10 C ATOM 0 H THR A 10 -1.289 0.523 -23.078 1.00 61.31 H new ATOM 0 HA THR A 10 -1.399 -1.605 -21.174 1.00 40.43 H new ATOM 0 HB THR A 10 -2.923 1.006 -21.129 1.00 2.53 H new ATOM 0 HG1 THR A 10 -0.745 1.763 -20.345 1.00 3.13 H new ATOM 0 HG21 THR A 10 -2.305 0.965 -18.740 1.00 24.10 H new ATOM 0 HG22 THR A 10 -3.175 -0.524 -19.178 1.00 24.10 H new ATOM 0 HG23 THR A 10 -1.406 -0.551 -18.987 1.00 24.10 H new ATOM 165 N TYR A 11 -3.634 -2.546 -21.087 1.00 2.04 N ATOM 166 CA TYR A 11 -4.886 -3.278 -21.180 1.00 4.22 C ATOM 167 C TYR A 11 -5.793 -2.967 -19.988 1.00 2.53 C ATOM 168 O TYR A 11 -6.749 -3.694 -19.724 1.00 60.01 O ATOM 169 CB TYR A 11 -4.511 -4.761 -21.146 1.00 44.34 C ATOM 170 CG TYR A 11 -3.847 -5.264 -22.430 1.00 12.21 C ATOM 171 CD1 TYR A 11 -3.611 -4.391 -23.473 1.00 0.05 C ATOM 172 CD2 TYR A 11 -3.485 -6.591 -22.545 1.00 42.42 C ATOM 173 CE1 TYR A 11 -2.987 -4.865 -24.681 1.00 4.54 C ATOM 174 CE2 TYR A 11 -2.860 -7.064 -23.753 1.00 74.13 C ATOM 175 CZ TYR A 11 -2.642 -6.178 -24.761 1.00 52.34 C ATOM 176 OH TYR A 11 -2.052 -6.625 -25.902 1.00 55.04 O ATOM 0 H TYR A 11 -3.001 -2.874 -20.357 1.00 2.04 H new ATOM 0 HA TYR A 11 -5.424 -3.003 -22.087 1.00 4.22 H new ATOM 0 HB2 TYR A 11 -3.837 -4.936 -20.308 1.00 44.34 H new ATOM 0 HB3 TYR A 11 -5.410 -5.349 -20.960 1.00 44.34 H new ATOM 0 HD1 TYR A 11 -3.894 -3.353 -23.383 1.00 0.05 H new ATOM 0 HD2 TYR A 11 -3.670 -7.274 -21.729 1.00 42.42 H new ATOM 0 HE1 TYR A 11 -2.797 -4.193 -25.505 1.00 4.54 H new ATOM 0 HE2 TYR A 11 -2.571 -8.099 -23.856 1.00 74.13 H new ATOM 0 HH TYR A 11 -1.860 -7.582 -25.818 1.00 55.04 H new ATOM 186 N GLU A 12 -5.461 -1.884 -19.299 1.00 61.40 N ATOM 187 CA GLU A 12 -6.234 -1.468 -18.141 1.00 42.12 C ATOM 188 C GLU A 12 -7.721 -1.749 -18.367 1.00 2.34 C ATOM 189 O GLU A 12 -8.187 -1.767 -19.505 1.00 31.43 O ATOM 190 CB GLU A 12 -5.997 0.010 -17.827 1.00 4.54 C ATOM 191 CG GLU A 12 -6.577 0.905 -18.924 1.00 71.41 C ATOM 192 CD GLU A 12 -7.958 1.431 -18.529 1.00 11.53 C ATOM 193 OE1 GLU A 12 -8.597 0.877 -17.622 1.00 72.55 O ATOM 194 OE2 GLU A 12 -8.363 2.456 -19.199 1.00 51.51 O ATOM 0 H GLU A 12 -4.668 -1.283 -19.521 1.00 61.40 H new ATOM 0 HA GLU A 12 -5.902 -2.047 -17.279 1.00 42.12 H new ATOM 0 HB2 GLU A 12 -6.454 0.260 -16.870 1.00 4.54 H new ATOM 0 HB3 GLU A 12 -4.928 0.197 -17.728 1.00 4.54 H new ATOM 0 HG2 GLU A 12 -5.904 1.742 -19.109 1.00 71.41 H new ATOM 0 HG3 GLU A 12 -6.650 0.344 -19.855 1.00 71.41 H new ATOM 202 N GLY A 13 -8.424 -1.960 -17.264 1.00 32.21 N ATOM 203 CA GLY A 13 -9.849 -2.239 -17.327 1.00 22.21 C ATOM 204 C GLY A 13 -10.105 -3.699 -17.706 1.00 74.21 C ATOM 205 O GLY A 13 -9.568 -4.611 -17.079 1.00 14.23 O ATOM 0 H GLY A 13 -8.034 -1.943 -16.322 1.00 32.21 H new ATOM 0 HA2 GLY A 13 -10.308 -2.024 -16.362 1.00 22.21 H new ATOM 0 HA3 GLY A 13 -10.320 -1.582 -18.058 1.00 22.21 H new ATOM 209 N GLY A 14 -10.926 -3.876 -18.731 1.00 52.50 N ATOM 210 CA GLY A 14 -11.261 -5.209 -19.201 1.00 65.12 C ATOM 211 C GLY A 14 -12.489 -5.756 -18.471 1.00 51.14 C ATOM 212 O GLY A 14 -12.363 -6.392 -17.426 1.00 64.13 O ATOM 0 H GLY A 14 -11.369 -3.117 -19.249 1.00 52.50 H new ATOM 0 HA2 GLY A 14 -11.453 -5.183 -20.274 1.00 65.12 H new ATOM 0 HA3 GLY A 14 -10.414 -5.877 -19.045 1.00 65.12 H new ATOM 216 N GLY A 15 -13.650 -5.488 -19.051 1.00 60.11 N ATOM 217 CA GLY A 15 -14.900 -5.945 -18.469 1.00 33.41 C ATOM 218 C GLY A 15 -15.517 -4.866 -17.577 1.00 51.11 C ATOM 219 O GLY A 15 -15.240 -3.680 -17.750 1.00 11.00 O ATOM 0 H GLY A 15 -13.751 -4.960 -19.918 1.00 60.11 H new ATOM 0 HA2 GLY A 15 -15.599 -6.210 -19.262 1.00 33.41 H new ATOM 0 HA3 GLY A 15 -14.724 -6.848 -17.885 1.00 33.41 H new ATOM 223 N GLY A 16 -16.342 -5.315 -16.643 1.00 21.42 N ATOM 224 CA GLY A 16 -17.000 -4.403 -15.724 1.00 13.44 C ATOM 225 C GLY A 16 -16.097 -4.078 -14.532 1.00 30.20 C ATOM 226 O GLY A 16 -15.477 -4.972 -13.957 1.00 13.41 O ATOM 0 H GLY A 16 -16.570 -6.299 -16.503 1.00 21.42 H new ATOM 0 HA2 GLY A 16 -17.264 -3.483 -16.246 1.00 13.44 H new ATOM 0 HA3 GLY A 16 -17.930 -4.847 -15.370 1.00 13.44 H new ATOM 230 N GLY A 17 -16.051 -2.797 -14.197 1.00 31.34 N ATOM 231 CA GLY A 17 -15.234 -2.344 -13.084 1.00 11.12 C ATOM 232 C GLY A 17 -15.548 -0.889 -12.730 1.00 43.45 C ATOM 233 O GLY A 17 -16.287 -0.217 -13.449 1.00 20.24 O ATOM 0 H GLY A 17 -16.566 -2.059 -14.677 1.00 31.34 H new ATOM 0 HA2 GLY A 17 -15.411 -2.979 -12.216 1.00 11.12 H new ATOM 0 HA3 GLY A 17 -14.179 -2.440 -13.340 1.00 11.12 H new ATOM 237 N GLY A 18 -14.970 -0.444 -11.624 1.00 50.02 N ATOM 238 CA GLY A 18 -15.179 0.919 -11.167 1.00 3.32 C ATOM 239 C GLY A 18 -13.988 1.808 -11.531 1.00 4.13 C ATOM 240 O GLY A 18 -13.905 2.315 -12.649 1.00 30.44 O ATOM 0 H GLY A 18 -14.357 -1.003 -11.031 1.00 50.02 H new ATOM 0 HA2 GLY A 18 -16.088 1.321 -11.615 1.00 3.32 H new ATOM 0 HA3 GLY A 18 -15.326 0.926 -10.087 1.00 3.32 H new ATOM 244 N GLY A 19 -13.095 1.970 -10.566 1.00 5.35 N ATOM 245 CA GLY A 19 -11.912 2.789 -10.770 1.00 43.12 C ATOM 246 C GLY A 19 -12.083 4.169 -10.133 1.00 13.51 C ATOM 247 O GLY A 19 -13.174 4.518 -9.683 1.00 4.04 O ATOM 0 H GLY A 19 -13.167 1.548 -9.640 1.00 5.35 H new ATOM 0 HA2 GLY A 19 -11.043 2.292 -10.340 1.00 43.12 H new ATOM 0 HA3 GLY A 19 -11.721 2.899 -11.838 1.00 43.12 H new ATOM 251 N GLY A 20 -10.990 4.918 -10.115 1.00 72.12 N ATOM 252 CA GLY A 20 -11.006 6.252 -9.540 1.00 50.35 C ATOM 253 C GLY A 20 -11.072 6.191 -8.013 1.00 72.11 C ATOM 254 O GLY A 20 -12.157 6.122 -7.437 1.00 50.45 O ATOM 0 H GLY A 20 -10.087 4.626 -10.490 1.00 72.12 H new ATOM 0 HA2 GLY A 20 -10.112 6.795 -9.847 1.00 50.35 H new ATOM 0 HA3 GLY A 20 -11.863 6.806 -9.923 1.00 50.35 H new ATOM 258 N SER A 21 -9.898 6.217 -7.400 1.00 42.53 N ATOM 259 CA SER A 21 -9.809 6.166 -5.951 1.00 23.41 C ATOM 260 C SER A 21 -8.931 7.309 -5.439 1.00 44.44 C ATOM 261 O SER A 21 -7.741 7.120 -5.192 1.00 4.41 O ATOM 262 CB SER A 21 -9.254 4.820 -5.481 1.00 63.51 C ATOM 263 OG SER A 21 -9.830 3.727 -6.192 1.00 12.13 O ATOM 0 H SER A 21 -9.000 6.273 -7.881 1.00 42.53 H new ATOM 0 HA SER A 21 -10.814 6.278 -5.543 1.00 23.41 H new ATOM 0 HB2 SER A 21 -8.172 4.808 -5.613 1.00 63.51 H new ATOM 0 HB3 SER A 21 -9.447 4.701 -4.415 1.00 63.51 H new ATOM 0 HG SER A 21 -9.449 2.886 -5.864 1.00 12.13 H new ATOM 269 N ALA A 22 -9.552 8.471 -5.296 1.00 64.02 N ATOM 270 CA ALA A 22 -8.842 9.645 -4.819 1.00 5.44 C ATOM 271 C ALA A 22 -8.823 9.638 -3.289 1.00 34.02 C ATOM 272 O ALA A 22 -7.768 9.481 -2.678 1.00 25.33 O ATOM 273 CB ALA A 22 -9.497 10.905 -5.388 1.00 12.11 C ATOM 0 H ALA A 22 -10.539 8.624 -5.502 1.00 64.02 H new ATOM 0 HA ALA A 22 -7.807 9.633 -5.162 1.00 5.44 H new ATOM 0 HB1 ALA A 22 -8.964 11.786 -5.030 1.00 12.11 H new ATOM 0 HB2 ALA A 22 -9.458 10.875 -6.477 1.00 12.11 H new ATOM 0 HB3 ALA A 22 -10.536 10.953 -5.063 1.00 12.11 H new ATOM 279 N ALA A 23 -10.005 9.810 -2.714 1.00 4.00 N ATOM 280 CA ALA A 23 -10.138 9.825 -1.267 1.00 42.21 C ATOM 281 C ALA A 23 -10.565 8.438 -0.784 1.00 73.21 C ATOM 282 O ALA A 23 -11.015 8.283 0.350 1.00 35.11 O ATOM 283 CB ALA A 23 -11.129 10.916 -0.857 1.00 3.31 C ATOM 0 H ALA A 23 -10.879 9.940 -3.224 1.00 4.00 H new ATOM 0 HA ALA A 23 -9.183 10.058 -0.796 1.00 42.21 H new ATOM 0 HB1 ALA A 23 -11.229 10.927 0.228 1.00 3.31 H new ATOM 0 HB2 ALA A 23 -10.765 11.885 -1.198 1.00 3.31 H new ATOM 0 HB3 ALA A 23 -12.100 10.714 -1.309 1.00 3.31 H new ATOM 289 N GLU A 24 -10.409 7.464 -1.669 1.00 54.21 N ATOM 290 CA GLU A 24 -10.774 6.095 -1.347 1.00 63.22 C ATOM 291 C GLU A 24 -9.533 5.296 -0.944 1.00 45.21 C ATOM 292 O GLU A 24 -9.583 4.491 -0.016 1.00 22.32 O ATOM 293 CB GLU A 24 -11.497 5.430 -2.520 1.00 64.31 C ATOM 294 CG GLU A 24 -12.927 5.957 -2.653 1.00 3.00 C ATOM 295 CD GLU A 24 -13.879 4.850 -3.111 1.00 1.25 C ATOM 296 OE1 GLU A 24 -14.337 4.864 -4.263 1.00 35.15 O ATOM 297 OE2 GLU A 24 -14.138 3.952 -2.222 1.00 31.04 O ATOM 0 H GLU A 24 -10.035 7.596 -2.609 1.00 54.21 H new ATOM 0 HA GLU A 24 -11.462 6.112 -0.502 1.00 63.22 H new ATOM 0 HB2 GLU A 24 -10.949 5.618 -3.443 1.00 64.31 H new ATOM 0 HB3 GLU A 24 -11.516 4.350 -2.375 1.00 64.31 H new ATOM 0 HG2 GLU A 24 -13.262 6.356 -1.696 1.00 3.00 H new ATOM 0 HG3 GLU A 24 -12.950 6.780 -3.367 1.00 3.00 H new ATOM 305 N ALA A 25 -8.448 5.547 -1.662 1.00 4.11 N ATOM 306 CA ALA A 25 -7.196 4.861 -1.391 1.00 5.54 C ATOM 307 C ALA A 25 -6.783 5.118 0.060 1.00 21.53 C ATOM 308 O ALA A 25 -6.014 4.349 0.636 1.00 62.05 O ATOM 309 CB ALA A 25 -6.133 5.324 -2.389 1.00 40.44 C ATOM 0 H ALA A 25 -8.410 6.216 -2.431 1.00 4.11 H new ATOM 0 HA ALA A 25 -7.314 3.785 -1.516 1.00 5.54 H new ATOM 0 HB1 ALA A 25 -5.194 4.809 -2.185 1.00 40.44 H new ATOM 0 HB2 ALA A 25 -6.461 5.094 -3.403 1.00 40.44 H new ATOM 0 HB3 ALA A 25 -5.986 6.400 -2.291 1.00 40.44 H new ATOM 315 N TYR A 26 -7.312 6.200 0.610 1.00 14.32 N ATOM 316 CA TYR A 26 -7.009 6.567 1.983 1.00 3.30 C ATOM 317 C TYR A 26 -8.106 6.087 2.935 1.00 72.23 C ATOM 318 O TYR A 26 -7.816 5.549 4.002 1.00 4.21 O ATOM 319 CB TYR A 26 -6.960 8.096 2.010 1.00 55.31 C ATOM 320 CG TYR A 26 -8.045 8.738 2.877 1.00 34.10 C ATOM 321 CD1 TYR A 26 -8.081 8.490 4.234 1.00 24.23 C ATOM 322 CD2 TYR A 26 -8.989 9.565 2.302 1.00 30.22 C ATOM 323 CE1 TYR A 26 -9.102 9.094 5.050 1.00 22.45 C ATOM 324 CE2 TYR A 26 -10.010 10.169 3.118 1.00 32.33 C ATOM 325 CZ TYR A 26 -10.016 9.903 4.452 1.00 11.42 C ATOM 326 OH TYR A 26 -10.981 10.474 5.223 1.00 25.30 O ATOM 0 H TYR A 26 -7.949 6.835 0.130 1.00 14.32 H new ATOM 0 HA TYR A 26 -6.071 6.113 2.303 1.00 3.30 H new ATOM 0 HB2 TYR A 26 -5.983 8.412 2.376 1.00 55.31 H new ATOM 0 HB3 TYR A 26 -7.055 8.470 0.991 1.00 55.31 H new ATOM 0 HD1 TYR A 26 -7.343 7.843 4.684 1.00 24.23 H new ATOM 0 HD2 TYR A 26 -8.962 9.759 1.240 1.00 30.22 H new ATOM 0 HE1 TYR A 26 -9.141 8.908 6.113 1.00 22.45 H new ATOM 0 HE2 TYR A 26 -10.754 10.818 2.681 1.00 32.33 H new ATOM 0 HH TYR A 26 -11.563 11.027 4.662 1.00 25.30 H new ATOM 336 N ALA A 27 -9.345 6.298 2.513 1.00 25.24 N ATOM 337 CA ALA A 27 -10.487 5.893 3.315 1.00 61.11 C ATOM 338 C ALA A 27 -10.518 4.367 3.416 1.00 21.43 C ATOM 339 O ALA A 27 -11.268 3.809 4.216 1.00 52.22 O ATOM 340 CB ALA A 27 -11.768 6.463 2.702 1.00 30.35 C ATOM 0 H ALA A 27 -9.582 6.744 1.627 1.00 25.24 H new ATOM 0 HA ALA A 27 -10.405 6.289 4.327 1.00 61.11 H new ATOM 0 HB1 ALA A 27 -12.625 6.160 3.303 1.00 30.35 H new ATOM 0 HB2 ALA A 27 -11.708 7.551 2.679 1.00 30.35 H new ATOM 0 HB3 ALA A 27 -11.885 6.085 1.686 1.00 30.35 H new ATOM 346 N LYS A 28 -9.694 3.734 2.594 1.00 25.04 N ATOM 347 CA LYS A 28 -9.617 2.283 2.581 1.00 31.05 C ATOM 348 C LYS A 28 -8.719 1.814 3.728 1.00 64.34 C ATOM 349 O LYS A 28 -9.189 1.176 4.669 1.00 42.15 O ATOM 350 CB LYS A 28 -9.172 1.782 1.206 1.00 5.11 C ATOM 351 CG LYS A 28 -8.434 0.447 1.322 1.00 62.35 C ATOM 352 CD LYS A 28 -9.340 -0.630 1.922 1.00 61.22 C ATOM 353 CE LYS A 28 -8.518 -1.816 2.432 1.00 75.14 C ATOM 354 NZ LYS A 28 -9.269 -3.080 2.257 1.00 12.43 N ATOM 0 H LYS A 28 -9.074 4.200 1.932 1.00 25.04 H new ATOM 0 HA LYS A 28 -10.602 1.848 2.749 1.00 31.05 H new ATOM 0 HB2 LYS A 28 -10.041 1.666 0.558 1.00 5.11 H new ATOM 0 HB3 LYS A 28 -8.522 2.522 0.738 1.00 5.11 H new ATOM 0 HG2 LYS A 28 -8.090 0.131 0.337 1.00 62.35 H new ATOM 0 HG3 LYS A 28 -7.548 0.570 1.945 1.00 62.35 H new ATOM 0 HD2 LYS A 28 -9.921 -0.207 2.741 1.00 61.22 H new ATOM 0 HD3 LYS A 28 -10.051 -0.972 1.170 1.00 61.22 H new ATOM 0 HE2 LYS A 28 -7.573 -1.870 1.892 1.00 75.14 H new ATOM 0 HE3 LYS A 28 -8.276 -1.673 3.485 1.00 75.14 H new ATOM 0 HZ1 LYS A 28 -8.697 -3.875 2.608 1.00 12.43 H new ATOM 0 HZ2 LYS A 28 -10.160 -3.031 2.792 1.00 12.43 H new ATOM 0 HZ3 LYS A 28 -9.478 -3.223 1.248 1.00 12.43 H new ATOM 367 N ARG A 29 -7.442 2.147 3.611 1.00 42.53 N ATOM 368 CA ARG A 29 -6.473 1.768 4.625 1.00 13.24 C ATOM 369 C ARG A 29 -6.965 2.188 6.012 1.00 50.20 C ATOM 370 O ARG A 29 -6.842 1.431 6.974 1.00 50.33 O ATOM 371 CB ARG A 29 -5.113 2.415 4.357 1.00 63.41 C ATOM 372 CG ARG A 29 -4.754 2.341 2.871 1.00 14.13 C ATOM 373 CD ARG A 29 -3.242 2.448 2.666 1.00 1.41 C ATOM 374 NE ARG A 29 -2.948 3.338 1.520 1.00 15.04 N ATOM 375 CZ ARG A 29 -2.988 4.686 1.580 1.00 45.24 C ATOM 376 NH1 ARG A 29 -3.309 5.312 2.732 1.00 43.44 N ATOM 377 NH2 ARG A 29 -2.707 5.383 0.494 1.00 31.10 N ATOM 0 H ARG A 29 -7.056 2.676 2.829 1.00 42.53 H new ATOM 0 HA ARG A 29 -6.361 0.684 4.588 1.00 13.24 H new ATOM 0 HB2 ARG A 29 -5.132 3.456 4.679 1.00 63.41 H new ATOM 0 HB3 ARG A 29 -4.345 1.913 4.946 1.00 63.41 H new ATOM 0 HG2 ARG A 29 -5.116 1.402 2.452 1.00 14.13 H new ATOM 0 HG3 ARG A 29 -5.255 3.145 2.332 1.00 14.13 H new ATOM 0 HD2 ARG A 29 -2.771 2.836 3.569 1.00 1.41 H new ATOM 0 HD3 ARG A 29 -2.820 1.459 2.487 1.00 1.41 H new ATOM 0 HE ARG A 29 -2.700 2.906 0.630 1.00 15.04 H new ATOM 0 HH11 ARG A 29 -3.524 4.766 3.566 1.00 43.44 H new ATOM 0 HH12 ARG A 29 -3.337 6.331 2.768 1.00 43.44 H new ATOM 0 HH21 ARG A 29 -2.465 4.902 -0.372 1.00 31.10 H new ATOM 0 HH22 ARG A 29 -2.732 6.402 0.521 1.00 31.10 H new ATOM 390 N ILE A 30 -7.512 3.394 6.071 1.00 63.42 N ATOM 391 CA ILE A 30 -8.023 3.923 7.324 1.00 44.32 C ATOM 392 C ILE A 30 -8.686 2.795 8.117 1.00 41.44 C ATOM 393 O ILE A 30 -8.260 2.478 9.226 1.00 14.33 O ATOM 394 CB ILE A 30 -8.944 5.117 7.065 1.00 42.22 C ATOM 395 CG1 ILE A 30 -8.156 6.308 6.514 1.00 74.22 C ATOM 396 CG2 ILE A 30 -9.732 5.484 8.324 1.00 53.55 C ATOM 397 CD1 ILE A 30 -7.981 7.390 7.581 1.00 53.32 C ATOM 0 H ILE A 30 -7.612 4.019 5.271 1.00 63.42 H new ATOM 0 HA ILE A 30 -7.207 4.306 7.937 1.00 44.32 H new ATOM 0 HB ILE A 30 -9.669 4.831 6.303 1.00 42.22 H new ATOM 0 HG12 ILE A 30 -7.179 5.973 6.167 1.00 74.22 H new ATOM 0 HG13 ILE A 30 -8.675 6.724 5.651 1.00 74.22 H new ATOM 0 HG21 ILE A 30 -10.379 6.336 8.113 1.00 53.55 H new ATOM 0 HG22 ILE A 30 -10.340 4.634 8.633 1.00 53.55 H new ATOM 0 HG23 ILE A 30 -9.039 5.744 9.124 1.00 53.55 H new ATOM 0 HD11 ILE A 30 -7.418 8.225 7.164 1.00 53.32 H new ATOM 0 HD12 ILE A 30 -8.960 7.740 7.908 1.00 53.32 H new ATOM 0 HD13 ILE A 30 -7.440 6.977 8.433 1.00 53.32 H new ATOM 409 N ALA A 31 -9.717 2.220 7.516 1.00 15.40 N ATOM 410 CA ALA A 31 -10.444 1.134 8.152 1.00 2.52 C ATOM 411 C ALA A 31 -9.451 0.202 8.849 1.00 0.12 C ATOM 412 O ALA A 31 -9.651 -0.172 10.004 1.00 62.02 O ATOM 413 CB ALA A 31 -11.292 0.407 7.108 1.00 74.24 C ATOM 0 H ALA A 31 -10.066 2.486 6.595 1.00 15.40 H new ATOM 0 HA ALA A 31 -11.124 1.520 8.912 1.00 2.52 H new ATOM 0 HB1 ALA A 31 -11.837 -0.407 7.585 1.00 74.24 H new ATOM 0 HB2 ALA A 31 -12.000 1.106 6.663 1.00 74.24 H new ATOM 0 HB3 ALA A 31 -10.644 0.003 6.330 1.00 74.24 H new ATOM 419 N GLU A 32 -8.402 -0.146 8.118 1.00 33.33 N ATOM 420 CA GLU A 32 -7.378 -1.028 8.652 1.00 42.11 C ATOM 421 C GLU A 32 -6.650 -0.352 9.816 1.00 61.51 C ATOM 422 O GLU A 32 -6.536 -0.926 10.898 1.00 13.11 O ATOM 423 CB GLU A 32 -6.393 -1.448 7.559 1.00 22.33 C ATOM 424 CG GLU A 32 -7.108 -2.206 6.439 1.00 64.32 C ATOM 425 CD GLU A 32 -6.395 -3.524 6.127 1.00 50.11 C ATOM 426 OE1 GLU A 32 -5.222 -3.696 6.491 1.00 52.41 O ATOM 427 OE2 GLU A 32 -7.104 -4.388 5.483 1.00 61.02 O ATOM 0 H GLU A 32 -8.239 0.167 7.161 1.00 33.33 H new ATOM 0 HA GLU A 32 -7.861 -1.930 9.026 1.00 42.11 H new ATOM 0 HB2 GLU A 32 -5.901 -0.566 7.149 1.00 22.33 H new ATOM 0 HB3 GLU A 32 -5.614 -2.077 7.989 1.00 22.33 H new ATOM 0 HG2 GLU A 32 -8.139 -2.406 6.731 1.00 64.32 H new ATOM 0 HG3 GLU A 32 -7.145 -1.587 5.542 1.00 64.32 H new ATOM 435 N ALA A 33 -6.176 0.857 9.554 1.00 63.42 N ATOM 436 CA ALA A 33 -5.462 1.616 10.566 1.00 1.21 C ATOM 437 C ALA A 33 -6.145 1.419 11.921 1.00 4.11 C ATOM 438 O ALA A 33 -5.506 1.006 12.888 1.00 60.12 O ATOM 439 CB ALA A 33 -5.401 3.088 10.152 1.00 35.12 C ATOM 0 H ALA A 33 -6.273 1.330 8.655 1.00 63.42 H new ATOM 0 HA ALA A 33 -4.436 1.261 10.659 1.00 1.21 H new ATOM 0 HB1 ALA A 33 -4.865 3.658 10.911 1.00 35.12 H new ATOM 0 HB2 ALA A 33 -4.881 3.176 9.198 1.00 35.12 H new ATOM 0 HB3 ALA A 33 -6.413 3.480 10.051 1.00 35.12 H new ATOM 445 N MET A 34 -7.434 1.724 11.948 1.00 4.12 N ATOM 446 CA MET A 34 -8.210 1.586 13.169 1.00 61.33 C ATOM 447 C MET A 34 -8.678 0.142 13.360 1.00 24.43 C ATOM 448 O MET A 34 -9.015 -0.263 14.472 1.00 61.22 O ATOM 449 CB MET A 34 -9.426 2.512 13.108 1.00 2.54 C ATOM 450 CG MET A 34 -9.026 3.911 12.635 1.00 41.34 C ATOM 451 SD MET A 34 -7.802 4.602 13.735 1.00 65.32 S ATOM 452 CE MET A 34 -7.441 6.126 12.879 1.00 4.24 C ATOM 0 H MET A 34 -7.961 2.066 11.144 1.00 4.12 H new ATOM 0 HA MET A 34 -7.576 1.858 14.013 1.00 61.33 H new ATOM 0 HB2 MET A 34 -10.172 2.095 12.431 1.00 2.54 H new ATOM 0 HB3 MET A 34 -9.889 2.576 14.093 1.00 2.54 H new ATOM 0 HG2 MET A 34 -8.629 3.861 11.621 1.00 41.34 H new ATOM 0 HG3 MET A 34 -9.903 4.557 12.602 1.00 41.34 H new ATOM 0 HE1 MET A 34 -6.689 6.686 13.434 1.00 4.24 H new ATOM 0 HE2 MET A 34 -7.064 5.902 11.881 1.00 4.24 H new ATOM 0 HE3 MET A 34 -8.350 6.722 12.798 1.00 4.24 H new ATOM 462 N ALA A 35 -8.683 -0.596 12.260 1.00 63.03 N ATOM 463 CA ALA A 35 -9.103 -1.986 12.293 1.00 74.54 C ATOM 464 C ALA A 35 -10.320 -2.125 13.210 1.00 71.12 C ATOM 465 O ALA A 35 -10.434 -3.099 13.953 1.00 51.32 O ATOM 466 CB ALA A 35 -7.933 -2.864 12.740 1.00 4.35 C ATOM 0 H ALA A 35 -8.403 -0.257 11.340 1.00 63.03 H new ATOM 0 HA ALA A 35 -9.399 -2.320 11.299 1.00 74.54 H new ATOM 0 HB1 ALA A 35 -8.249 -3.907 12.764 1.00 4.35 H new ATOM 0 HB2 ALA A 35 -7.106 -2.752 12.039 1.00 4.35 H new ATOM 0 HB3 ALA A 35 -7.609 -2.560 13.735 1.00 4.35 H new ATOM 472 N LYS A 36 -11.199 -1.137 13.128 1.00 42.15 N ATOM 473 CA LYS A 36 -12.403 -1.136 13.941 1.00 62.41 C ATOM 474 C LYS A 36 -12.978 -2.553 13.993 1.00 35.00 C ATOM 475 O LYS A 36 -12.897 -3.296 13.016 1.00 22.44 O ATOM 476 CB LYS A 36 -13.394 -0.088 13.431 1.00 63.34 C ATOM 477 CG LYS A 36 -14.104 -0.575 12.166 1.00 32.30 C ATOM 478 CD LYS A 36 -13.786 0.331 10.975 1.00 63.41 C ATOM 479 CE LYS A 36 -14.433 1.707 11.144 1.00 23.33 C ATOM 480 NZ LYS A 36 -14.020 2.612 10.048 1.00 30.24 N ATOM 0 H LYS A 36 -11.101 -0.331 12.510 1.00 42.15 H new ATOM 0 HA LYS A 36 -12.171 -0.848 14.966 1.00 62.41 H new ATOM 0 HB2 LYS A 36 -14.130 0.129 14.205 1.00 63.34 H new ATOM 0 HB3 LYS A 36 -12.868 0.844 13.222 1.00 63.34 H new ATOM 0 HG2 LYS A 36 -13.796 -1.597 11.943 1.00 32.30 H new ATOM 0 HG3 LYS A 36 -15.181 -0.596 12.334 1.00 32.30 H new ATOM 0 HD2 LYS A 36 -12.706 0.443 10.877 1.00 63.41 H new ATOM 0 HD3 LYS A 36 -14.144 -0.132 10.055 1.00 63.41 H new ATOM 0 HE2 LYS A 36 -15.518 1.607 11.151 1.00 23.33 H new ATOM 0 HE3 LYS A 36 -14.146 2.135 12.105 1.00 23.33 H new ATOM 0 HZ1 LYS A 36 -14.468 3.542 10.178 1.00 30.24 H new ATOM 0 HZ2 LYS A 36 -12.986 2.721 10.059 1.00 30.24 H new ATOM 0 HZ3 LYS A 36 -14.316 2.210 9.136 1.00 30.24 H new ATOM 493 N GLY A 37 -13.548 -2.884 15.143 1.00 62.14 N ATOM 494 CA GLY A 37 -14.137 -4.198 15.335 1.00 61.41 C ATOM 495 C GLY A 37 -15.615 -4.200 14.938 1.00 24.40 C ATOM 496 O GLY A 37 -16.243 -5.256 14.877 1.00 51.12 O ATOM 0 H GLY A 37 -13.614 -2.265 15.951 1.00 62.14 H new ATOM 0 HA2 GLY A 37 -13.596 -4.933 14.740 1.00 61.41 H new ATOM 0 HA3 GLY A 37 -14.037 -4.496 16.379 1.00 61.41 H new TER 500 GLY A 37