USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 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 Set 1.1: A 30 ASN : amide:sc= -1.83! K(o=-1.7!,f=-0.28) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.235) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 81:sc= -0.247 USER MOD Single : A 22 SER OG : rot -176:sc= -0.41 USER MOD Single : A 23 SER OG : rot -37:sc= 0.179 USER MOD Single : A 27 TYR OH : rot 32:sc= -2.48! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.93) USER MOD Single : A 34 ASN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.027 USER MOD Single : A 37 GLN : amide:sc= -8.5! C(o=-8.5!,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 14 -10.620 -1.610 -0.687 1.00 15.00 N ATOM 73 CA GLY A 14 -10.293 -0.507 0.185 1.00 15.00 C ATOM 74 C GLY A 14 -8.873 -0.031 -0.039 1.00 15.00 C ATOM 75 O GLY A 14 -8.331 0.724 0.757 1.00 15.00 O ATOM 0 HA2 GLY A 14 -10.986 0.316 0.010 1.00 15.00 H new ATOM 0 HA3 GLY A 14 -10.417 -0.813 1.224 1.00 15.00 H new ATOM 79 N TRP A 15 -8.311 -0.418 -1.171 1.00 15.00 N ATOM 80 CA TRP A 15 -6.914 -0.158 -1.495 1.00 15.00 C ATOM 81 C TRP A 15 -6.665 1.178 -2.221 1.00 15.00 C ATOM 82 O TRP A 15 -7.278 1.477 -3.246 1.00 15.00 O ATOM 83 CB TRP A 15 -6.370 -1.287 -2.375 1.00 15.00 C ATOM 84 CG TRP A 15 -5.706 -2.476 -1.702 1.00 15.00 C ATOM 85 CD1 TRP A 15 -5.510 -3.709 -2.259 1.00 15.00 C ATOM 86 CD2 TRP A 15 -5.049 -2.513 -0.424 1.00 15.00 C ATOM 87 NE1 TRP A 15 -4.707 -4.480 -1.449 1.00 15.00 N ATOM 88 CE2 TRP A 15 -4.423 -3.778 -0.308 1.00 15.00 C ATOM 89 CE3 TRP A 15 -4.913 -1.605 0.624 1.00 15.00 C ATOM 90 CZ2 TRP A 15 -3.653 -4.133 0.812 1.00 15.00 C ATOM 91 CZ3 TRP A 15 -4.180 -1.969 1.731 1.00 15.00 C ATOM 92 CH2 TRP A 15 -3.551 -3.211 1.811 1.00 15.00 C ATOM 0 H TRP A 15 -8.813 -0.926 -1.899 1.00 15.00 H new ATOM 0 HA TRP A 15 -6.400 -0.101 -0.536 1.00 15.00 H new ATOM 0 HB2 TRP A 15 -7.196 -1.666 -2.976 1.00 15.00 H new ATOM 0 HB3 TRP A 15 -5.648 -0.851 -3.065 1.00 15.00 H new ATOM 0 HD1 TRP A 15 -5.926 -4.033 -3.202 1.00 15.00 H new ATOM 0 HE1 TRP A 15 -4.377 -5.421 -1.664 1.00 15.00 H new ATOM 0 HE3 TRP A 15 -5.376 -0.631 0.569 1.00 15.00 H new ATOM 0 HZ2 TRP A 15 -3.164 -5.093 0.879 1.00 15.00 H new ATOM 0 HZ3 TRP A 15 -4.090 -1.277 2.556 1.00 15.00 H new ATOM 0 HH2 TRP A 15 -2.967 -3.449 2.688 1.00 15.00 H new ATOM 103 N GLU A 16 -5.748 1.962 -1.642 1.00 15.00 N ATOM 104 CA GLU A 16 -5.132 3.134 -2.282 1.00 15.00 C ATOM 105 C GLU A 16 -3.698 2.745 -2.683 1.00 15.00 C ATOM 106 O GLU A 16 -2.853 2.504 -1.815 1.00 15.00 O ATOM 107 CB GLU A 16 -5.130 4.330 -1.293 1.00 15.00 C ATOM 108 CG GLU A 16 -4.415 5.585 -1.767 1.00 15.00 C ATOM 109 CD GLU A 16 -4.899 6.049 -3.123 1.00 15.00 C ATOM 110 OE1 GLU A 16 -6.006 6.624 -3.191 1.00 15.00 O ATOM 111 OE2 GLU A 16 -4.185 5.843 -4.122 1.00 15.00 O1- ATOM 0 H GLU A 16 -5.405 1.797 -0.696 1.00 15.00 H new ATOM 0 HA GLU A 16 -5.692 3.438 -3.166 1.00 15.00 H new ATOM 0 HB2 GLU A 16 -6.164 4.589 -1.065 1.00 15.00 H new ATOM 0 HB3 GLU A 16 -4.670 4.004 -0.360 1.00 15.00 H new ATOM 0 HG2 GLU A 16 -4.565 6.382 -1.039 1.00 15.00 H new ATOM 0 HG3 GLU A 16 -3.343 5.393 -1.813 1.00 15.00 H new ATOM 118 N LYS A 17 -3.442 2.652 -3.989 1.00 15.00 N ATOM 119 CA LYS A 17 -2.224 2.004 -4.501 1.00 15.00 C ATOM 120 C LYS A 17 -1.143 3.003 -4.897 1.00 15.00 C ATOM 121 O LYS A 17 -1.282 3.703 -5.903 1.00 15.00 O ATOM 122 CB LYS A 17 -2.581 1.125 -5.719 1.00 15.00 C ATOM 123 CG LYS A 17 -1.400 0.642 -6.559 1.00 15.00 C ATOM 124 CD LYS A 17 -0.327 -0.057 -5.735 1.00 15.00 C ATOM 125 CE LYS A 17 0.589 -0.903 -6.613 1.00 15.00 C ATOM 126 NZ LYS A 17 0.977 -0.211 -7.878 1.00 15.00 N1+ ATOM 0 H LYS A 17 -4.059 3.016 -4.715 1.00 15.00 H new ATOM 0 HA LYS A 17 -1.820 1.396 -3.692 1.00 15.00 H new ATOM 0 HB2 LYS A 17 -3.132 0.253 -5.365 1.00 15.00 H new ATOM 0 HB3 LYS A 17 -3.255 1.688 -6.364 1.00 15.00 H new ATOM 0 HG2 LYS A 17 -1.763 -0.042 -7.326 1.00 15.00 H new ATOM 0 HG3 LYS A 17 -0.956 1.494 -7.075 1.00 15.00 H new ATOM 0 HD2 LYS A 17 0.264 0.686 -5.200 1.00 15.00 H new ATOM 0 HD3 LYS A 17 -0.799 -0.690 -4.983 1.00 15.00 H new ATOM 0 HE2 LYS A 17 1.489 -1.158 -6.053 1.00 15.00 H new ATOM 0 HE3 LYS A 17 0.088 -1.840 -6.856 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 1.750 -0.734 -8.337 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 0.158 -0.172 -8.518 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 1.294 0.756 -7.662 1.00 15.00 H new ATOM 140 N ARG A 18 -0.070 3.084 -4.107 1.00 15.00 N ATOM 141 CA ARG A 18 1.120 3.808 -4.547 1.00 15.00 C ATOM 142 C ARG A 18 2.330 3.150 -3.879 1.00 15.00 C ATOM 143 O ARG A 18 2.280 2.761 -2.715 1.00 15.00 O ATOM 144 CB ARG A 18 0.917 5.312 -4.246 1.00 15.00 C ATOM 145 CG ARG A 18 2.075 6.299 -4.479 1.00 15.00 C ATOM 146 CD ARG A 18 2.892 6.013 -5.727 1.00 15.00 C ATOM 147 NE ARG A 18 3.772 7.137 -6.046 1.00 15.00 N ATOM 148 CZ ARG A 18 4.635 7.163 -7.064 1.00 15.00 C ATOM 149 NH1 ARG A 18 4.748 6.123 -7.881 1.00 15.00 N1+ ATOM 150 NH2 ARG A 18 5.382 8.239 -7.268 1.00 15.00 N ATOM 0 H ARG A 18 -0.002 2.666 -3.179 1.00 15.00 H new ATOM 0 HA ARG A 18 1.299 3.754 -5.621 1.00 15.00 H new ATOM 0 HB2 ARG A 18 0.073 5.653 -4.845 1.00 15.00 H new ATOM 0 HB3 ARG A 18 0.621 5.398 -3.200 1.00 15.00 H new ATOM 0 HG2 ARG A 18 1.670 7.309 -4.547 1.00 15.00 H new ATOM 0 HG3 ARG A 18 2.736 6.278 -3.612 1.00 15.00 H new ATOM 0 HD2 ARG A 18 3.487 5.112 -5.578 1.00 15.00 H new ATOM 0 HD3 ARG A 18 2.224 5.819 -6.567 1.00 15.00 H new ATOM 0 HE ARG A 18 3.723 7.961 -5.447 1.00 15.00 H new ATOM 0 HH11 ARG A 18 4.172 5.294 -7.734 1.00 15.00 H new ATOM 0 HH12 ARG A 18 5.410 6.153 -8.656 1.00 15.00 H new ATOM 0 HH21 ARG A 18 5.296 9.044 -6.648 1.00 15.00 H new ATOM 0 HH22 ARG A 18 6.042 8.262 -8.045 1.00 15.00 H new ATOM 164 N MET A 19 3.398 2.954 -4.621 1.00 15.00 N ATOM 165 CA MET A 19 4.515 2.192 -4.092 1.00 15.00 C ATOM 166 C MET A 19 5.496 3.107 -3.382 1.00 15.00 C ATOM 167 O MET A 19 5.677 4.261 -3.768 1.00 15.00 O ATOM 168 CB MET A 19 5.217 1.410 -5.208 1.00 15.00 C ATOM 169 CG MET A 19 5.808 2.279 -6.305 1.00 15.00 C ATOM 170 SD MET A 19 6.666 1.309 -7.560 1.00 15.00 S ATOM 171 CE MET A 19 7.257 2.602 -8.649 1.00 15.00 C ATOM 0 H MET A 19 3.519 3.302 -5.572 1.00 15.00 H new ATOM 0 HA MET A 19 4.127 1.476 -3.368 1.00 15.00 H new ATOM 0 HB2 MET A 19 6.013 0.809 -4.769 1.00 15.00 H new ATOM 0 HB3 MET A 19 4.503 0.717 -5.654 1.00 15.00 H new ATOM 0 HG2 MET A 19 5.012 2.856 -6.776 1.00 15.00 H new ATOM 0 HG3 MET A 19 6.503 2.994 -5.864 1.00 15.00 H new ATOM 0 HE1 MET A 19 7.809 2.157 -9.477 1.00 15.00 H new ATOM 0 HE2 MET A 19 6.409 3.165 -9.039 1.00 15.00 H new ATOM 0 HE3 MET A 19 7.913 3.273 -8.095 1.00 15.00 H new ATOM 181 N SER A 20 6.156 2.568 -2.371 1.00 15.00 N ATOM 182 CA SER A 20 7.095 3.333 -1.578 1.00 15.00 C ATOM 183 C SER A 20 8.461 3.220 -2.213 1.00 15.00 C ATOM 184 O SER A 20 9.089 2.150 -2.189 1.00 15.00 O ATOM 185 CB SER A 20 7.137 2.806 -0.147 1.00 15.00 C ATOM 186 OG SER A 20 5.836 2.488 0.313 1.00 15.00 O ATOM 0 H SER A 20 6.055 1.595 -2.081 1.00 15.00 H new ATOM 0 HA SER A 20 6.783 4.377 -1.545 1.00 15.00 H new ATOM 0 HB2 SER A 20 7.770 1.920 -0.100 1.00 15.00 H new ATOM 0 HB3 SER A 20 7.586 3.554 0.507 1.00 15.00 H new ATOM 0 HG SER A 20 5.577 1.604 -0.022 1.00 15.00 H new ATOM 192 N ARG A 21 8.892 4.331 -2.785 1.00 15.00 N ATOM 193 CA ARG A 21 10.051 4.371 -3.659 1.00 15.00 C ATOM 194 C ARG A 21 11.346 4.257 -2.869 1.00 15.00 C ATOM 195 O ARG A 21 12.399 3.940 -3.420 1.00 15.00 O ATOM 196 CB ARG A 21 10.029 5.678 -4.447 1.00 15.00 C ATOM 197 CG ARG A 21 8.678 5.972 -5.084 1.00 15.00 C ATOM 198 CD ARG A 21 8.580 7.418 -5.531 1.00 15.00 C ATOM 199 NE ARG A 21 8.710 8.336 -4.403 1.00 15.00 N ATOM 200 CZ ARG A 21 9.069 9.612 -4.511 1.00 15.00 C ATOM 201 NH1 ARG A 21 9.291 10.150 -5.707 1.00 15.00 N1+ ATOM 202 NH2 ARG A 21 9.218 10.348 -3.419 1.00 15.00 N ATOM 0 H ARG A 21 8.444 5.238 -2.655 1.00 15.00 H new ATOM 0 HA ARG A 21 10.007 3.522 -4.341 1.00 15.00 H new ATOM 0 HB2 ARG A 21 10.297 6.500 -3.783 1.00 15.00 H new ATOM 0 HB3 ARG A 21 10.790 5.638 -5.227 1.00 15.00 H new ATOM 0 HG2 ARG A 21 8.527 5.314 -5.940 1.00 15.00 H new ATOM 0 HG3 ARG A 21 7.883 5.755 -4.371 1.00 15.00 H new ATOM 0 HD2 ARG A 21 9.359 7.627 -6.264 1.00 15.00 H new ATOM 0 HD3 ARG A 21 7.624 7.583 -6.027 1.00 15.00 H new ATOM 0 HE ARG A 21 8.512 7.975 -3.470 1.00 15.00 H new ATOM 0 HH11 ARG A 21 9.186 9.583 -6.549 1.00 15.00 H new ATOM 0 HH12 ARG A 21 9.566 11.129 -5.783 1.00 15.00 H new ATOM 0 HH21 ARG A 21 9.057 9.935 -2.500 1.00 15.00 H new ATOM 0 HH22 ARG A 21 9.493 11.327 -3.497 1.00 15.00 H new ATOM 216 N SER A 22 11.267 4.536 -1.580 1.00 15.00 N ATOM 217 CA SER A 22 12.437 4.474 -0.726 1.00 15.00 C ATOM 218 C SER A 22 12.780 3.029 -0.349 1.00 15.00 C ATOM 219 O SER A 22 13.849 2.524 -0.694 1.00 15.00 O ATOM 220 CB SER A 22 12.205 5.308 0.534 1.00 15.00 C ATOM 221 OG SER A 22 11.748 6.613 0.205 1.00 15.00 O ATOM 0 H SER A 22 10.407 4.807 -1.104 1.00 15.00 H new ATOM 0 HA SER A 22 13.283 4.882 -1.280 1.00 15.00 H new ATOM 0 HB2 SER A 22 11.473 4.813 1.172 1.00 15.00 H new ATOM 0 HB3 SER A 22 13.131 5.376 1.105 1.00 15.00 H new ATOM 0 HG SER A 22 11.666 7.147 1.023 1.00 15.00 H new ATOM 227 N SER A 23 11.867 2.361 0.350 1.00 15.00 N ATOM 228 CA SER A 23 12.150 1.048 0.920 1.00 15.00 C ATOM 229 C SER A 23 11.804 -0.100 -0.039 1.00 15.00 C ATOM 230 O SER A 23 12.155 -1.252 0.216 1.00 15.00 O ATOM 231 CB SER A 23 11.395 0.888 2.241 1.00 15.00 C ATOM 232 OG SER A 23 11.813 -0.267 2.949 1.00 15.00 O ATOM 0 H SER A 23 10.926 2.707 0.535 1.00 15.00 H new ATOM 0 HA SER A 23 13.224 0.992 1.099 1.00 15.00 H new ATOM 0 HB2 SER A 23 11.554 1.771 2.860 1.00 15.00 H new ATOM 0 HB3 SER A 23 10.325 0.826 2.043 1.00 15.00 H new ATOM 0 HG SER A 23 12.000 -0.990 2.314 1.00 15.00 H new ATOM 238 N GLY A 24 11.118 0.202 -1.135 1.00 15.00 N ATOM 239 CA GLY A 24 10.680 -0.855 -2.034 1.00 15.00 C ATOM 240 C GLY A 24 9.597 -1.707 -1.398 1.00 15.00 C ATOM 241 O GLY A 24 9.710 -2.930 -1.315 1.00 15.00 O ATOM 0 H GLY A 24 10.858 1.147 -1.417 1.00 15.00 H new ATOM 0 HA2 GLY A 24 10.304 -0.416 -2.959 1.00 15.00 H new ATOM 0 HA3 GLY A 24 11.530 -1.483 -2.301 1.00 15.00 H new ATOM 245 N ARG A 25 8.549 -1.037 -0.952 1.00 15.00 N ATOM 246 CA ARG A 25 7.460 -1.657 -0.184 1.00 15.00 C ATOM 247 C ARG A 25 6.153 -1.058 -0.668 1.00 15.00 C ATOM 248 O ARG A 25 6.171 0.093 -1.088 1.00 15.00 O ATOM 249 CB ARG A 25 7.628 -1.332 1.298 1.00 15.00 C ATOM 250 CG ARG A 25 8.884 -1.888 1.945 1.00 15.00 C ATOM 251 CD ARG A 25 8.807 -1.773 3.457 1.00 15.00 C ATOM 252 NE ARG A 25 10.001 -2.291 4.117 1.00 15.00 N ATOM 253 CZ ARG A 25 10.049 -2.626 5.403 1.00 15.00 C ATOM 254 NH1 ARG A 25 8.967 -2.511 6.166 1.00 15.00 N1+ ATOM 255 NH2 ARG A 25 11.177 -3.078 5.927 1.00 15.00 N ATOM 0 H ARG A 25 8.420 -0.037 -1.109 1.00 15.00 H new ATOM 0 HA ARG A 25 7.471 -2.738 -0.320 1.00 15.00 H new ATOM 0 HB2 ARG A 25 7.626 -0.249 1.418 1.00 15.00 H new ATOM 0 HB3 ARG A 25 6.761 -1.714 1.838 1.00 15.00 H new ATOM 0 HG2 ARG A 25 9.013 -2.932 1.661 1.00 15.00 H new ATOM 0 HG3 ARG A 25 9.757 -1.348 1.579 1.00 15.00 H new ATOM 0 HD2 ARG A 25 8.668 -0.728 3.732 1.00 15.00 H new ATOM 0 HD3 ARG A 25 7.933 -2.316 3.816 1.00 15.00 H new ATOM 0 HE ARG A 25 10.848 -2.403 3.560 1.00 15.00 H new ATOM 0 HH11 ARG A 25 8.095 -2.165 5.766 1.00 15.00 H new ATOM 0 HH12 ARG A 25 9.008 -2.769 7.152 1.00 15.00 H new ATOM 0 HH21 ARG A 25 12.009 -3.169 5.344 1.00 15.00 H new ATOM 0 HH22 ARG A 25 11.214 -3.335 6.913 1.00 15.00 H new ATOM 269 N VAL A 26 5.009 -1.751 -0.634 1.00 15.00 N ATOM 270 CA VAL A 26 3.853 -1.099 -1.155 1.00 15.00 C ATOM 271 C VAL A 26 3.181 -0.391 -0.010 1.00 15.00 C ATOM 272 O VAL A 26 2.808 -1.021 0.996 1.00 15.00 O ATOM 273 CB VAL A 26 2.877 -2.070 -1.849 1.00 15.00 C ATOM 274 CG1 VAL A 26 1.724 -1.309 -2.482 1.00 15.00 C ATOM 275 CG2 VAL A 26 3.605 -2.904 -2.894 1.00 15.00 C ATOM 0 H VAL A 26 4.881 -2.697 -0.274 1.00 15.00 H new ATOM 0 HA VAL A 26 4.160 -0.394 -1.928 1.00 15.00 H new ATOM 0 HB VAL A 26 2.470 -2.743 -1.095 1.00 15.00 H new ATOM 0 HG11 VAL A 26 1.047 -2.012 -2.967 1.00 15.00 H new ATOM 0 HG12 VAL A 26 1.185 -0.758 -1.711 1.00 15.00 H new ATOM 0 HG13 VAL A 26 2.112 -0.610 -3.223 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.900 -3.583 -3.373 1.00 15.00 H new ATOM 0 HG22 VAL A 26 4.042 -2.246 -3.645 1.00 15.00 H new ATOM 0 HG23 VAL A 26 4.395 -3.481 -2.413 1.00 15.00 H new ATOM 285 N TYR A 27 3.043 0.918 -0.109 1.00 15.00 N ATOM 286 CA TYR A 27 2.274 1.554 0.897 1.00 15.00 C ATOM 287 C TYR A 27 0.891 1.483 0.283 1.00 15.00 C ATOM 288 O TYR A 27 0.591 2.037 -0.813 1.00 15.00 O ATOM 289 CB TYR A 27 2.729 2.993 1.256 1.00 15.00 C ATOM 290 CG TYR A 27 2.049 4.040 0.444 1.00 15.00 C ATOM 291 CD1 TYR A 27 0.724 4.371 0.714 1.00 15.00 C ATOM 292 CD2 TYR A 27 2.673 4.612 -0.639 1.00 15.00 C ATOM 293 CE1 TYR A 27 0.036 5.226 -0.094 1.00 15.00 C ATOM 294 CE2 TYR A 27 2.000 5.489 -1.433 1.00 15.00 C ATOM 295 CZ TYR A 27 0.673 5.780 -1.164 1.00 15.00 C ATOM 296 OH TYR A 27 -0.020 6.597 -2.000 1.00 15.00 O ATOM 0 H TYR A 27 3.434 1.517 -0.836 1.00 15.00 H new ATOM 0 HA TYR A 27 2.359 1.077 1.873 1.00 15.00 H new ATOM 0 HB2 TYR A 27 2.533 3.177 2.312 1.00 15.00 H new ATOM 0 HB3 TYR A 27 3.807 3.073 1.113 1.00 15.00 H new ATOM 0 HD1 TYR A 27 0.234 3.944 1.577 1.00 15.00 H new ATOM 0 HD2 TYR A 27 3.701 4.365 -0.861 1.00 15.00 H new ATOM 0 HE1 TYR A 27 -0.998 5.461 0.110 1.00 15.00 H new ATOM 0 HE2 TYR A 27 2.499 5.956 -2.269 1.00 15.00 H new ATOM 0 HH TYR A 27 -0.704 7.081 -1.492 1.00 15.00 H new ATOM 306 N TYR A 28 0.106 0.645 0.874 1.00 15.00 N ATOM 307 CA TYR A 28 -1.121 0.305 0.270 1.00 15.00 C ATOM 308 C TYR A 28 -2.152 0.580 1.339 1.00 15.00 C ATOM 309 O TYR A 28 -2.205 -0.084 2.366 1.00 15.00 O ATOM 310 CB TYR A 28 -1.041 -1.160 -0.173 1.00 15.00 C ATOM 311 CG TYR A 28 -1.842 -1.476 -1.410 1.00 15.00 C ATOM 312 CD1 TYR A 28 -2.735 -0.562 -1.932 1.00 15.00 C ATOM 313 CD2 TYR A 28 -1.628 -2.661 -2.110 1.00 15.00 C ATOM 314 CE1 TYR A 28 -3.412 -0.819 -3.104 1.00 15.00 C ATOM 315 CE2 TYR A 28 -2.291 -2.921 -3.292 1.00 15.00 C ATOM 316 CZ TYR A 28 -3.184 -1.999 -3.784 1.00 15.00 C ATOM 317 OH TYR A 28 -3.847 -2.253 -4.964 1.00 15.00 O ATOM 0 H TYR A 28 0.297 0.191 1.767 1.00 15.00 H new ATOM 0 HA TYR A 28 -1.375 0.869 -0.627 1.00 15.00 H new ATOM 0 HB2 TYR A 28 0.003 -1.417 -0.354 1.00 15.00 H new ATOM 0 HB3 TYR A 28 -1.388 -1.794 0.643 1.00 15.00 H new ATOM 0 HD1 TYR A 28 -2.906 0.370 -1.413 1.00 15.00 H new ATOM 0 HD2 TYR A 28 -0.931 -3.389 -1.721 1.00 15.00 H new ATOM 0 HE1 TYR A 28 -4.119 -0.100 -3.490 1.00 15.00 H new ATOM 0 HE2 TYR A 28 -2.110 -3.842 -3.826 1.00 15.00 H new ATOM 0 HH TYR A 28 -3.571 -3.126 -5.313 1.00 15.00 H new ATOM 327 N PHE A 29 -2.861 1.652 1.157 1.00 15.00 N ATOM 328 CA PHE A 29 -3.609 2.253 2.234 1.00 15.00 C ATOM 329 C PHE A 29 -5.096 1.969 2.124 1.00 15.00 C ATOM 330 O PHE A 29 -5.737 2.290 1.128 1.00 15.00 O ATOM 331 CB PHE A 29 -3.259 3.742 2.237 1.00 15.00 C ATOM 332 CG PHE A 29 -4.316 4.687 2.709 1.00 15.00 C ATOM 333 CD1 PHE A 29 -4.446 5.068 4.032 1.00 15.00 C ATOM 334 CD2 PHE A 29 -5.134 5.256 1.772 1.00 15.00 C ATOM 335 CE1 PHE A 29 -5.392 6.013 4.389 1.00 15.00 C ATOM 336 CE2 PHE A 29 -6.081 6.180 2.112 1.00 15.00 C ATOM 337 CZ PHE A 29 -6.209 6.570 3.418 1.00 15.00 C ATOM 0 H PHE A 29 -2.942 2.138 0.264 1.00 15.00 H new ATOM 0 HA PHE A 29 -3.336 1.818 3.195 1.00 15.00 H new ATOM 0 HB2 PHE A 29 -2.377 3.881 2.862 1.00 15.00 H new ATOM 0 HB3 PHE A 29 -2.979 4.026 1.223 1.00 15.00 H new ATOM 0 HD1 PHE A 29 -3.810 4.628 4.786 1.00 15.00 H new ATOM 0 HD2 PHE A 29 -5.028 4.967 0.737 1.00 15.00 H new ATOM 0 HE1 PHE A 29 -5.493 6.315 5.421 1.00 15.00 H new ATOM 0 HE2 PHE A 29 -6.725 6.601 1.354 1.00 15.00 H new ATOM 0 HZ PHE A 29 -6.946 7.311 3.691 1.00 15.00 H new ATOM 347 N ASN A 30 -5.638 1.372 3.171 1.00 15.00 N ATOM 348 CA ASN A 30 -7.035 0.999 3.193 1.00 15.00 C ATOM 349 C ASN A 30 -7.871 2.137 3.745 1.00 15.00 C ATOM 350 O ASN A 30 -7.903 2.389 4.944 1.00 15.00 O ATOM 351 CB ASN A 30 -7.264 -0.307 3.979 1.00 15.00 C ATOM 352 CG ASN A 30 -6.478 -0.393 5.278 1.00 15.00 C ATOM 353 OD1 ASN A 30 -5.316 -0.798 5.280 1.00 15.00 O ATOM 354 ND2 ASN A 30 -7.104 -0.046 6.393 1.00 15.00 N ATOM 0 H ASN A 30 -5.125 1.135 4.020 1.00 15.00 H new ATOM 0 HA ASN A 30 -7.353 0.807 2.168 1.00 15.00 H new ATOM 0 HB2 ASN A 30 -8.327 -0.403 4.202 1.00 15.00 H new ATOM 0 HB3 ASN A 30 -6.994 -1.152 3.346 1.00 15.00 H new ATOM 0 HD21 ASN A 30 -6.622 -0.111 7.290 1.00 15.00 H new ATOM 0 HD22 ASN A 30 -8.068 0.286 6.355 1.00 15.00 H new ATOM 361 N HIS A 31 -8.527 2.840 2.829 1.00 15.00 N ATOM 362 CA HIS A 31 -9.284 4.048 3.156 1.00 15.00 C ATOM 363 C HIS A 31 -10.653 3.723 3.746 1.00 15.00 C ATOM 364 O HIS A 31 -11.510 4.594 3.862 1.00 15.00 O ATOM 365 CB HIS A 31 -9.430 4.956 1.920 1.00 15.00 C ATOM 366 CG HIS A 31 -9.811 4.248 0.651 1.00 15.00 C ATOM 367 ND1 HIS A 31 -8.911 3.988 -0.361 1.00 15.00 N ATOM 368 CD2 HIS A 31 -11.001 3.761 0.225 1.00 15.00 C ATOM 369 CE1 HIS A 31 -9.529 3.372 -1.351 1.00 15.00 C ATOM 370 NE2 HIS A 31 -10.796 3.221 -1.019 1.00 15.00 N ATOM 0 H HIS A 31 -8.551 2.591 1.840 1.00 15.00 H new ATOM 0 HA HIS A 31 -8.718 4.584 3.918 1.00 15.00 H new ATOM 0 HB2 HIS A 31 -10.182 5.716 2.133 1.00 15.00 H new ATOM 0 HB3 HIS A 31 -8.487 5.477 1.758 1.00 15.00 H new ATOM 0 HD2 HIS A 31 -11.936 3.792 0.764 1.00 15.00 H new ATOM 0 HE1 HIS A 31 -9.075 3.047 -2.275 1.00 15.00 H new ATOM 0 HE2 HIS A 31 -11.509 2.774 -1.595 1.00 15.00 H new ATOM 379 N ILE A 32 -10.845 2.473 4.137 1.00 15.00 N ATOM 380 CA ILE A 32 -12.049 2.087 4.855 1.00 15.00 C ATOM 381 C ILE A 32 -11.903 2.475 6.325 1.00 15.00 C ATOM 382 O ILE A 32 -12.621 3.335 6.825 1.00 15.00 O ATOM 383 CB ILE A 32 -12.323 0.570 4.743 1.00 15.00 C ATOM 384 CG1 ILE A 32 -12.426 0.149 3.272 1.00 15.00 C ATOM 385 CG2 ILE A 32 -13.594 0.199 5.498 1.00 15.00 C ATOM 386 CD1 ILE A 32 -13.527 0.852 2.505 1.00 15.00 C ATOM 0 H ILE A 32 -10.186 1.712 3.970 1.00 15.00 H new ATOM 0 HA ILE A 32 -12.894 2.610 4.407 1.00 15.00 H new ATOM 0 HB ILE A 32 -11.488 0.035 5.195 1.00 15.00 H new ATOM 0 HG12 ILE A 32 -11.473 0.345 2.781 1.00 15.00 H new ATOM 0 HG13 ILE A 32 -12.594 -0.927 3.224 1.00 15.00 H new ATOM 0 HG21 ILE A 32 -13.771 -0.873 5.408 1.00 15.00 H new ATOM 0 HG22 ILE A 32 -13.482 0.461 6.550 1.00 15.00 H new ATOM 0 HG23 ILE A 32 -14.439 0.743 5.077 1.00 15.00 H new ATOM 0 HD11 ILE A 32 -13.534 0.500 1.474 1.00 15.00 H new ATOM 0 HD12 ILE A 32 -14.489 0.635 2.969 1.00 15.00 H new ATOM 0 HD13 ILE A 32 -13.351 1.928 2.520 1.00 15.00 H new ATOM 398 N THR A 33 -10.956 1.835 6.998 1.00 15.00 N ATOM 399 CA THR A 33 -10.635 2.156 8.382 1.00 15.00 C ATOM 400 C THR A 33 -9.545 3.228 8.468 1.00 15.00 C ATOM 401 O THR A 33 -9.257 3.751 9.550 1.00 15.00 O ATOM 402 CB THR A 33 -10.180 0.892 9.124 1.00 15.00 C ATOM 403 OG1 THR A 33 -9.390 0.088 8.240 1.00 15.00 O ATOM 404 CG2 THR A 33 -11.376 0.096 9.626 1.00 15.00 C ATOM 0 H THR A 33 -10.392 1.083 6.603 1.00 15.00 H new ATOM 0 HA THR A 33 -11.536 2.549 8.852 1.00 15.00 H new ATOM 0 HB THR A 33 -9.584 1.184 9.989 1.00 15.00 H new ATOM 0 HG1 THR A 33 -9.095 -0.720 8.709 1.00 15.00 H new ATOM 0 HG21 THR A 33 -11.027 -0.795 10.148 1.00 15.00 H new ATOM 0 HG22 THR A 33 -11.962 0.711 10.309 1.00 15.00 H new ATOM 0 HG23 THR A 33 -11.997 -0.199 8.781 1.00 15.00 H new ATOM 412 N ASN A 34 -8.939 3.525 7.315 1.00 15.00 N ATOM 413 CA ASN A 34 -7.866 4.516 7.195 1.00 15.00 C ATOM 414 C ASN A 34 -6.589 4.015 7.861 1.00 15.00 C ATOM 415 O ASN A 34 -6.320 4.303 9.029 1.00 15.00 O ATOM 416 CB ASN A 34 -8.291 5.881 7.765 1.00 15.00 C ATOM 417 CG ASN A 34 -7.313 7.008 7.455 1.00 15.00 C ATOM 418 OD1 ASN A 34 -6.100 6.806 7.353 1.00 15.00 O ATOM 419 ND2 ASN A 34 -7.840 8.212 7.303 1.00 15.00 N ATOM 0 H ASN A 34 -9.182 3.080 6.430 1.00 15.00 H new ATOM 0 HA ASN A 34 -7.662 4.657 6.134 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -9.271 6.142 7.365 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -8.401 5.795 8.846 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -7.239 9.009 7.095 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -8.847 8.343 7.394 1.00 15.00 H new ATOM 426 N ALA A 35 -5.843 3.196 7.129 1.00 15.00 N ATOM 427 CA ALA A 35 -4.551 2.701 7.588 1.00 15.00 C ATOM 428 C ALA A 35 -3.633 2.445 6.399 1.00 15.00 C ATOM 429 O ALA A 35 -4.042 1.837 5.416 1.00 15.00 O ATOM 430 CB ALA A 35 -4.724 1.431 8.408 1.00 15.00 C ATOM 0 H ALA A 35 -6.115 2.858 6.206 1.00 15.00 H new ATOM 0 HA ALA A 35 -4.096 3.460 8.225 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -3.748 1.077 8.741 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -5.350 1.640 9.276 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -5.198 0.664 7.795 1.00 15.00 H new ATOM 436 N SER A 36 -2.403 2.918 6.479 1.00 15.00 N ATOM 437 CA SER A 36 -1.436 2.710 5.411 1.00 15.00 C ATOM 438 C SER A 36 -0.518 1.534 5.732 1.00 15.00 C ATOM 439 O SER A 36 0.137 1.517 6.775 1.00 15.00 O ATOM 440 CB SER A 36 -0.627 3.994 5.206 1.00 15.00 C ATOM 441 OG SER A 36 -0.363 4.627 6.449 1.00 15.00 O ATOM 0 H SER A 36 -2.047 3.450 7.273 1.00 15.00 H new ATOM 0 HA SER A 36 -1.966 2.470 4.489 1.00 15.00 H new ATOM 0 HB2 SER A 36 0.312 3.761 4.705 1.00 15.00 H new ATOM 0 HB3 SER A 36 -1.176 4.675 4.555 1.00 15.00 H new ATOM 0 HG SER A 36 0.156 5.444 6.296 1.00 15.00 H new ATOM 447 N GLN A 37 -0.479 0.538 4.855 1.00 15.00 N ATOM 448 CA GLN A 37 0.396 -0.603 5.073 1.00 15.00 C ATOM 449 C GLN A 37 1.689 -0.460 4.271 1.00 15.00 C ATOM 450 O GLN A 37 1.672 -0.096 3.111 1.00 15.00 O ATOM 451 CB GLN A 37 -0.306 -1.933 4.731 1.00 15.00 C ATOM 452 CG GLN A 37 -0.508 -2.187 3.251 1.00 15.00 C ATOM 453 CD GLN A 37 -0.752 -3.649 2.947 1.00 15.00 C ATOM 454 OE1 GLN A 37 -1.306 -4.384 3.765 1.00 15.00 O ATOM 455 NE2 GLN A 37 -0.335 -4.086 1.771 1.00 15.00 N ATOM 0 H GLN A 37 -1.034 0.498 4.000 1.00 15.00 H new ATOM 0 HA GLN A 37 0.645 -0.622 6.134 1.00 15.00 H new ATOM 0 HB2 GLN A 37 0.278 -2.753 5.149 1.00 15.00 H new ATOM 0 HB3 GLN A 37 -1.278 -1.951 5.224 1.00 15.00 H new ATOM 0 HG2 GLN A 37 -1.354 -1.598 2.896 1.00 15.00 H new ATOM 0 HG3 GLN A 37 0.370 -1.846 2.703 1.00 15.00 H new ATOM 0 HE21 GLN A 37 0.120 -3.445 1.121 1.00 15.00 H new ATOM 0 HE22 GLN A 37 -0.468 -5.064 1.514 1.00 15.00 H new ATOM 464 N TRP A 38 2.784 -0.733 4.954 1.00 15.00 N ATOM 465 CA TRP A 38 4.141 -0.902 4.400 1.00 15.00 C ATOM 466 C TRP A 38 4.249 -2.019 3.340 1.00 15.00 C ATOM 467 O TRP A 38 5.278 -2.206 2.700 1.00 15.00 O ATOM 468 CB TRP A 38 5.123 -1.139 5.535 1.00 15.00 C ATOM 469 CG TRP A 38 5.724 0.124 6.077 1.00 15.00 C ATOM 470 CD1 TRP A 38 5.571 0.685 7.312 1.00 15.00 C ATOM 471 CD2 TRP A 38 6.557 1.008 5.354 1.00 15.00 C ATOM 472 NE1 TRP A 38 6.357 1.801 7.422 1.00 15.00 N ATOM 473 CE2 TRP A 38 6.953 2.025 6.217 1.00 15.00 C ATOM 474 CE3 TRP A 38 7.028 1.021 4.056 1.00 15.00 C ATOM 475 CZ2 TRP A 38 7.804 3.022 5.801 1.00 15.00 C ATOM 476 CZ3 TRP A 38 7.831 2.000 3.642 1.00 15.00 C ATOM 477 CH2 TRP A 38 8.217 2.982 4.496 1.00 15.00 C ATOM 0 H TRP A 38 2.765 -0.852 5.967 1.00 15.00 H new ATOM 0 HA TRP A 38 4.386 0.021 3.874 1.00 15.00 H new ATOM 0 HB2 TRP A 38 4.614 -1.666 6.342 1.00 15.00 H new ATOM 0 HB3 TRP A 38 5.922 -1.791 5.183 1.00 15.00 H new ATOM 0 HD1 TRP A 38 4.925 0.304 8.089 1.00 15.00 H new ATOM 0 HE1 TRP A 38 6.476 2.367 8.262 1.00 15.00 H new ATOM 0 HE3 TRP A 38 6.744 0.234 3.373 1.00 15.00 H new ATOM 0 HZ2 TRP A 38 8.132 3.801 6.473 1.00 15.00 H new ATOM 0 HZ3 TRP A 38 8.178 2.012 2.619 1.00 15.00 H new ATOM 0 HH2 TRP A 38 8.873 3.759 4.133 1.00 15.00 H new ATOM 488 N GLU A 39 3.177 -2.749 3.210 1.00 15.00 N ATOM 489 CA GLU A 39 3.135 -4.171 2.879 1.00 15.00 C ATOM 490 C GLU A 39 2.801 -4.406 1.405 1.00 15.00 C ATOM 491 O GLU A 39 2.572 -3.465 0.659 1.00 15.00 O ATOM 492 CB GLU A 39 2.155 -4.904 3.793 1.00 15.00 C ATOM 493 CG GLU A 39 2.496 -4.775 5.270 1.00 15.00 C ATOM 494 CD GLU A 39 3.861 -5.349 5.612 1.00 15.00 C ATOM 495 OE1 GLU A 39 4.874 -4.643 5.436 1.00 15.00 O ATOM 496 OE2 GLU A 39 3.921 -6.511 6.069 1.00 15.00 O1- ATOM 0 H GLU A 39 2.245 -2.355 3.337 1.00 15.00 H new ATOM 0 HA GLU A 39 4.132 -4.579 3.045 1.00 15.00 H new ATOM 0 HB2 GLU A 39 1.151 -4.515 3.624 1.00 15.00 H new ATOM 0 HB3 GLU A 39 2.137 -5.960 3.522 1.00 15.00 H new ATOM 0 HG2 GLU A 39 2.468 -3.723 5.554 1.00 15.00 H new ATOM 0 HG3 GLU A 39 1.734 -5.285 5.860 1.00 15.00 H new ATOM 503 N ARG A 40 3.082 -5.599 0.926 1.00 15.00 N ATOM 504 CA ARG A 40 2.513 -6.033 -0.352 1.00 15.00 C ATOM 505 C ARG A 40 1.664 -7.295 -0.165 1.00 15.00 C ATOM 506 O ARG A 40 2.168 -8.335 0.244 1.00 15.00 O ATOM 507 CB ARG A 40 3.655 -6.268 -1.346 1.00 15.00 C ATOM 508 CG ARG A 40 3.241 -6.734 -2.731 1.00 15.00 C ATOM 509 CD ARG A 40 4.476 -7.065 -3.557 1.00 15.00 C ATOM 510 NE ARG A 40 4.183 -7.295 -4.970 1.00 15.00 N ATOM 511 CZ ARG A 40 5.066 -7.073 -5.948 1.00 15.00 C ATOM 512 NH1 ARG A 40 6.302 -6.685 -5.651 1.00 15.00 N1+ ATOM 513 NH2 ARG A 40 4.729 -7.263 -7.216 1.00 15.00 N ATOM 0 H ARG A 40 3.687 -6.281 1.384 1.00 15.00 H new ATOM 0 HA ARG A 40 1.854 -5.259 -0.745 1.00 15.00 H new ATOM 0 HB2 ARG A 40 4.218 -5.341 -1.449 1.00 15.00 H new ATOM 0 HB3 ARG A 40 4.334 -7.008 -0.922 1.00 15.00 H new ATOM 0 HG2 ARG A 40 2.600 -7.612 -2.652 1.00 15.00 H new ATOM 0 HG3 ARG A 40 2.659 -5.957 -3.227 1.00 15.00 H new ATOM 0 HD2 ARG A 40 5.192 -6.248 -3.470 1.00 15.00 H new ATOM 0 HD3 ARG A 40 4.954 -7.953 -3.143 1.00 15.00 H new ATOM 0 HE ARG A 40 3.258 -7.643 -5.222 1.00 15.00 H new ATOM 0 HH11 ARG A 40 6.576 -6.557 -4.677 1.00 15.00 H new ATOM 0 HH12 ARG A 40 6.976 -6.515 -6.397 1.00 15.00 H new ATOM 0 HH21 ARG A 40 3.789 -7.581 -7.452 1.00 15.00 H new ATOM 0 HH22 ARG A 40 5.410 -7.091 -7.956 1.00 15.00 H new ATOM 527 N PRO A 41 0.347 -7.195 -0.462 1.00 15.00 N ATOM 528 CA PRO A 41 -0.617 -8.294 -0.265 1.00 15.00 C ATOM 529 C PRO A 41 -0.624 -9.316 -1.401 1.00 15.00 C ATOM 530 O PRO A 41 -1.279 -10.355 -1.315 1.00 15.00 O ATOM 531 CB PRO A 41 -1.949 -7.548 -0.245 1.00 15.00 C ATOM 532 CG PRO A 41 -1.737 -6.460 -1.236 1.00 15.00 C ATOM 533 CD PRO A 41 -0.328 -5.987 -0.997 1.00 15.00 C ATOM 0 HA PRO A 41 -0.386 -8.877 0.627 1.00 15.00 H new ATOM 0 HB2 PRO A 41 -2.779 -8.196 -0.528 1.00 15.00 H new ATOM 0 HB3 PRO A 41 -2.176 -7.153 0.745 1.00 15.00 H new ATOM 0 HG2 PRO A 41 -1.864 -6.824 -2.256 1.00 15.00 H new ATOM 0 HG3 PRO A 41 -2.454 -5.652 -1.095 1.00 15.00 H new ATOM 0 HD2 PRO A 41 0.141 -5.637 -1.917 1.00 15.00 H new ATOM 0 HD3 PRO A 41 -0.295 -5.160 -0.288 1.00 15.00 H new ATOM 607 N PRO B 177 -2.824 10.005 0.570 1.00 15.00 N ATOM 608 CA PRO B 177 -1.798 9.077 1.055 1.00 15.00 C ATOM 609 C PRO B 177 -0.671 8.872 0.045 1.00 15.00 C ATOM 610 O PRO B 177 -0.970 8.621 -1.106 1.00 15.00 O ATOM 611 CB PRO B 177 -2.567 7.742 1.168 1.00 15.00 C ATOM 612 CG PRO B 177 -3.963 7.995 0.676 1.00 15.00 C ATOM 613 CD PRO B 177 -3.943 9.291 -0.063 1.00 15.00 C ATOM 0 HA PRO B 177 -1.339 9.442 1.974 1.00 15.00 H new ATOM 0 HB2 PRO B 177 -2.083 6.967 0.573 1.00 15.00 H new ATOM 0 HB3 PRO B 177 -2.580 7.391 2.200 1.00 15.00 H new ATOM 0 HG2 PRO B 177 -4.294 7.186 0.025 1.00 15.00 H new ATOM 0 HG3 PRO B 177 -4.663 8.039 1.510 1.00 15.00 H new ATOM 0 HD2 PRO B 177 -3.779 9.146 -1.131 1.00 15.00 H new ATOM 0 HD3 PRO B 177 -4.882 9.833 0.045 1.00 15.00 H new ATOM 621 N GLU B 178 0.602 9.095 0.442 1.00 15.00 N ATOM 622 CA GLU B 178 1.760 8.442 -0.221 1.00 15.00 C ATOM 623 C GLU B 178 2.940 8.241 0.745 1.00 15.00 C ATOM 624 O GLU B 178 3.012 8.900 1.784 1.00 15.00 O ATOM 625 CB GLU B 178 2.286 9.179 -1.477 1.00 15.00 C ATOM 626 CG GLU B 178 1.412 9.113 -2.717 1.00 15.00 C ATOM 627 CD GLU B 178 1.982 9.932 -3.859 1.00 15.00 C ATOM 628 OE1 GLU B 178 1.703 11.146 -3.927 1.00 15.00 O1- ATOM 629 OE2 GLU B 178 2.726 9.366 -4.697 1.00 15.00 O ATOM 0 H GLU B 178 0.855 9.716 1.211 1.00 15.00 H new ATOM 0 HA GLU B 178 1.359 7.481 -0.543 1.00 15.00 H new ATOM 0 HB2 GLU B 178 2.435 10.228 -1.220 1.00 15.00 H new ATOM 0 HB3 GLU B 178 3.265 8.770 -1.727 1.00 15.00 H new ATOM 0 HG2 GLU B 178 1.308 8.075 -3.032 1.00 15.00 H new ATOM 0 HG3 GLU B 178 0.412 9.474 -2.475 1.00 15.00 H new ATOM 653 N PRO B 180 5.352 6.062 2.930 1.00 15.00 N ATOM 654 CA PRO B 180 5.451 5.862 4.391 1.00 15.00 C ATOM 655 C PRO B 180 6.866 6.057 5.010 1.00 15.00 C ATOM 656 O PRO B 180 6.942 6.300 6.214 1.00 15.00 O ATOM 657 CB PRO B 180 5.111 4.372 4.605 1.00 15.00 C ATOM 658 CG PRO B 180 5.259 3.717 3.272 1.00 15.00 C ATOM 659 CD PRO B 180 5.327 4.785 2.212 1.00 15.00 C ATOM 0 HA PRO B 180 4.801 6.599 4.864 1.00 15.00 H new ATOM 0 HB2 PRO B 180 5.781 3.921 5.337 1.00 15.00 H new ATOM 0 HB3 PRO B 180 4.097 4.255 4.986 1.00 15.00 H new ATOM 0 HG2 PRO B 180 6.161 3.105 3.250 1.00 15.00 H new ATOM 0 HG3 PRO B 180 4.417 3.051 3.083 1.00 15.00 H new ATOM 0 HD2 PRO B 180 6.217 4.666 1.595 1.00 15.00 H new ATOM 0 HD3 PRO B 180 4.467 4.729 1.545 1.00 15.00 H new ATOM 667 N PRO B 181 8.012 5.921 4.245 1.00 15.00 N ATOM 668 CA PRO B 181 9.302 5.516 4.838 1.00 15.00 C ATOM 669 C PRO B 181 9.716 6.346 6.062 1.00 15.00 C ATOM 670 O PRO B 181 9.496 7.558 6.096 1.00 15.00 O ATOM 671 CB PRO B 181 10.307 5.724 3.706 1.00 15.00 C ATOM 672 CG PRO B 181 9.500 5.576 2.481 1.00 15.00 C ATOM 673 CD PRO B 181 8.186 6.206 2.807 1.00 15.00 C ATOM 0 HA PRO B 181 9.244 4.493 5.210 1.00 15.00 H new ATOM 0 HB2 PRO B 181 10.772 6.708 3.761 1.00 15.00 H new ATOM 0 HB3 PRO B 181 11.111 4.989 3.746 1.00 15.00 H new ATOM 0 HG2 PRO B 181 9.975 6.070 1.633 1.00 15.00 H new ATOM 0 HG3 PRO B 181 9.379 4.527 2.212 1.00 15.00 H new ATOM 0 HD2 PRO B 181 8.195 7.278 2.609 1.00 15.00 H new ATOM 0 HD3 PRO B 181 7.378 5.779 2.213 1.00 15.00 H new