USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 279 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 179 GLN : amide:sc= 1.97 K(o=2,f=-4.2!) USER MOD Single : A 182 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 THR OG1 : rot -24:sc= 0.125 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 147:sc= 0.054! USER MOD Single : A 224 SER OG : rot 68:sc= 1.26 USER MOD Single : A 228 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 229 LYS NZ :NH3+ -144:sc= 0.817 (180deg=-0.497!) USER MOD Single : A 231 HIS : no HD1:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 5.753 34.267 -37.848 1.00 42.40 N ATOM 37 CA LEU A 177 5.147 35.597 -37.791 1.00 14.14 C ATOM 38 C LEU A 177 3.628 35.409 -37.893 1.00 25.25 C ATOM 39 O LEU A 177 3.156 34.282 -38.073 1.00 72.32 O ATOM 40 CB LEU A 177 5.718 36.485 -38.922 1.00 62.05 C ATOM 41 CG LEU A 177 6.243 37.869 -38.490 1.00 74.24 C ATOM 42 CD1 LEU A 177 5.171 38.748 -37.831 1.00 32.31 C ATOM 43 CD2 LEU A 177 7.463 37.753 -37.568 1.00 21.13 C ATOM 0 HA LEU A 177 5.378 36.109 -36.857 1.00 14.14 H new ATOM 0 HB2 LEU A 177 6.531 35.944 -39.407 1.00 62.05 H new ATOM 0 HB3 LEU A 177 4.940 36.630 -39.672 1.00 62.05 H new ATOM 0 HG LEU A 177 6.543 38.362 -39.414 1.00 74.24 H new ATOM 0 HD11 LEU A 177 5.608 39.707 -37.552 1.00 32.31 H new ATOM 0 HD12 LEU A 177 4.353 38.912 -38.533 1.00 32.31 H new ATOM 0 HD13 LEU A 177 4.789 38.250 -36.940 1.00 32.31 H new ATOM 0 HD21 LEU A 177 7.802 38.750 -37.286 1.00 21.13 H new ATOM 0 HD22 LEU A 177 7.190 37.196 -36.672 1.00 21.13 H new ATOM 0 HD23 LEU A 177 8.265 37.231 -38.090 1.00 21.13 H new ATOM 55 N ARG A 178 2.851 36.488 -37.778 1.00 24.30 N ATOM 56 CA ARG A 178 1.414 36.490 -38.035 1.00 3.45 C ATOM 57 C ARG A 178 1.054 37.837 -38.648 1.00 25.42 C ATOM 58 O ARG A 178 1.422 38.873 -38.097 1.00 34.30 O ATOM 59 CB ARG A 178 0.617 36.140 -36.765 1.00 73.44 C ATOM 60 CG ARG A 178 0.771 37.074 -35.549 1.00 23.23 C ATOM 61 CD ARG A 178 0.185 36.368 -34.317 1.00 61.32 C ATOM 62 NE ARG A 178 0.067 37.237 -33.137 1.00 43.12 N ATOM 63 CZ ARG A 178 0.962 37.400 -32.156 1.00 4.41 C ATOM 64 NH1 ARG A 178 2.186 36.884 -32.251 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 0.622 38.081 -31.067 1.00 63.23 N ATOM 0 H ARG A 178 3.212 37.400 -37.498 1.00 24.30 H new ATOM 0 HA ARG A 178 1.140 35.711 -38.746 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -0.440 36.104 -37.030 1.00 73.44 H new ATOM 0 HB3 ARG A 178 0.902 35.135 -36.455 1.00 73.44 H new ATOM 0 HG2 ARG A 178 1.822 37.313 -35.385 1.00 23.23 H new ATOM 0 HG3 ARG A 178 0.254 38.017 -35.727 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -0.801 35.976 -34.569 1.00 61.32 H new ATOM 0 HD3 ARG A 178 0.813 35.513 -34.066 1.00 61.32 H new ATOM 0 HE ARG A 178 -0.795 37.777 -33.057 1.00 43.12 H new ATOM 0 HH11 ARG A 178 2.453 36.355 -33.081 1.00 33.23 H new ATOM 0 HH12 ARG A 178 2.856 37.018 -31.494 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -0.315 38.475 -30.984 1.00 63.23 H new ATOM 0 HH22 ARG A 178 1.298 38.210 -30.314 1.00 63.23 H new ATOM 79 N GLN A 179 0.456 37.812 -39.834 1.00 24.00 N ATOM 80 CA GLN A 179 0.037 38.985 -40.586 1.00 3.32 C ATOM 81 C GLN A 179 -1.277 39.545 -40.025 1.00 35.51 C ATOM 82 O GLN A 179 -1.860 38.987 -39.096 1.00 2.32 O ATOM 83 CB GLN A 179 -0.034 38.635 -42.093 1.00 52.52 C ATOM 84 CG GLN A 179 -1.272 37.870 -42.617 1.00 55.30 C ATOM 85 CD GLN A 179 -1.535 36.496 -41.994 1.00 71.53 C ATOM 86 OE1 GLN A 179 -0.648 35.849 -41.446 1.00 14.25 O ATOM 87 NE2 GLN A 179 -2.766 36.018 -42.051 1.00 3.14 N ATOM 0 H GLN A 179 0.242 36.938 -40.315 1.00 24.00 H new ATOM 0 HA GLN A 179 0.771 39.783 -40.478 1.00 3.32 H new ATOM 0 HB2 GLN A 179 0.041 39.567 -42.653 1.00 52.52 H new ATOM 0 HB3 GLN A 179 0.849 38.044 -42.338 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -2.152 38.493 -42.456 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -1.164 37.742 -43.694 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -3.502 36.557 -42.507 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -2.980 35.110 -41.639 1.00 3.14 H new ATOM 96 N ARG A 180 -1.784 40.628 -40.624 1.00 65.05 N ATOM 97 CA ARG A 180 -3.156 41.094 -40.431 1.00 64.25 C ATOM 98 C ARG A 180 -3.801 41.136 -41.807 1.00 43.03 C ATOM 99 O ARG A 180 -3.764 42.169 -42.464 1.00 61.12 O ATOM 100 CB ARG A 180 -3.201 42.463 -39.735 1.00 54.40 C ATOM 101 CG ARG A 180 -2.796 42.394 -38.258 1.00 40.31 C ATOM 102 CD ARG A 180 -3.012 43.769 -37.617 1.00 25.33 C ATOM 103 NE ARG A 180 -2.682 43.766 -36.182 1.00 63.12 N ATOM 104 CZ ARG A 180 -2.824 44.808 -35.353 1.00 4.44 C ATOM 105 NH1 ARG A 180 -3.293 45.971 -35.806 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -2.494 44.683 -34.069 1.00 74.54 N ATOM 0 H ARG A 180 -1.244 41.211 -41.264 1.00 65.05 H new ATOM 0 HA ARG A 180 -3.702 40.418 -39.773 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -2.537 43.152 -40.257 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -4.209 42.871 -39.812 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -3.388 41.640 -37.740 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -1.751 42.096 -38.168 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -2.396 44.509 -38.129 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -4.051 44.072 -37.750 1.00 25.33 H new ATOM 0 HE ARG A 180 -2.315 42.900 -35.787 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -3.546 46.071 -36.789 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -3.399 46.761 -35.169 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -2.134 43.795 -33.719 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -2.601 45.475 -33.435 1.00 74.54 H new ATOM 120 N LEU A 181 -4.287 39.984 -42.260 1.00 42.44 N ATOM 121 CA LEU A 181 -5.088 39.800 -43.462 1.00 73.23 C ATOM 122 C LEU A 181 -5.713 38.422 -43.279 1.00 71.21 C ATOM 123 O LEU A 181 -4.976 37.436 -43.170 1.00 74.14 O ATOM 124 CB LEU A 181 -4.223 39.868 -44.740 1.00 33.22 C ATOM 125 CG LEU A 181 -5.038 40.111 -46.030 1.00 33.35 C ATOM 126 CD1 LEU A 181 -4.069 40.389 -47.186 1.00 5.21 C ATOM 127 CD2 LEU A 181 -5.940 38.935 -46.429 1.00 70.12 C ATOM 0 H LEU A 181 -4.122 39.105 -41.769 1.00 42.44 H new ATOM 0 HA LEU A 181 -5.835 40.583 -43.588 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -3.489 40.666 -44.629 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -3.668 38.936 -44.842 1.00 33.22 H new ATOM 0 HG LEU A 181 -5.691 40.959 -45.826 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -4.635 40.562 -48.101 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -3.472 41.272 -46.956 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -3.410 39.531 -47.323 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -6.478 39.183 -47.344 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -5.329 38.048 -46.597 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -6.654 38.737 -45.630 1.00 70.12 H new ATOM 139 N GLN A 182 -7.034 38.346 -43.154 1.00 62.31 N ATOM 140 CA GLN A 182 -7.806 37.098 -43.120 1.00 40.10 C ATOM 141 C GLN A 182 -9.162 37.288 -43.823 1.00 63.11 C ATOM 142 O GLN A 182 -10.016 36.412 -43.819 1.00 12.30 O ATOM 143 CB GLN A 182 -7.922 36.619 -41.660 1.00 72.53 C ATOM 144 CG GLN A 182 -8.623 35.261 -41.483 1.00 23.40 C ATOM 145 CD GLN A 182 -8.208 34.553 -40.194 1.00 41.05 C ATOM 146 OE1 GLN A 182 -8.755 34.773 -39.117 1.00 54.13 O ATOM 147 NE2 GLN A 182 -7.228 33.667 -40.265 1.00 22.23 N ATOM 0 H GLN A 182 -7.621 39.176 -43.070 1.00 62.31 H new ATOM 0 HA GLN A 182 -7.295 36.311 -43.675 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -6.921 36.555 -41.232 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -8.466 37.371 -41.087 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -9.703 35.411 -41.480 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -8.392 34.622 -42.335 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -6.772 33.482 -41.158 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -6.929 33.169 -39.427 1.00 22.23 H new ATOM 156 N ASP A 183 -9.346 38.432 -44.465 1.00 20.03 N ATOM 157 CA ASP A 183 -10.593 39.074 -44.864 1.00 43.12 C ATOM 158 C ASP A 183 -11.233 38.366 -46.046 1.00 32.23 C ATOM 159 O ASP A 183 -12.412 38.533 -46.341 1.00 34.24 O ATOM 160 CB ASP A 183 -10.289 40.554 -45.185 1.00 20.31 C ATOM 161 CG ASP A 183 -9.411 41.237 -44.122 1.00 12.13 C ATOM 162 OD1 ASP A 183 -8.222 40.830 -44.015 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -9.924 42.104 -43.388 1.00 22.45 O ATOM 0 H ASP A 183 -8.543 38.993 -44.749 1.00 20.03 H new ATOM 0 HA ASP A 183 -11.315 39.015 -44.049 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -9.790 40.614 -46.152 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -11.228 41.100 -45.276 1.00 20.31 H new ATOM 168 N THR A 184 -10.446 37.510 -46.686 1.00 51.30 N ATOM 169 CA THR A 184 -10.881 36.581 -47.700 1.00 22.11 C ATOM 170 C THR A 184 -11.705 35.424 -47.119 1.00 53.13 C ATOM 171 O THR A 184 -12.322 34.683 -47.884 1.00 71.31 O ATOM 172 CB THR A 184 -9.635 36.098 -48.472 1.00 3.31 C ATOM 173 OG1 THR A 184 -9.987 35.274 -49.561 1.00 25.41 O ATOM 174 CG2 THR A 184 -8.623 35.349 -47.585 1.00 51.10 C ATOM 0 H THR A 184 -9.445 37.448 -46.498 1.00 51.30 H new ATOM 0 HA THR A 184 -11.560 37.083 -48.390 1.00 22.11 H new ATOM 0 HB THR A 184 -9.156 37.007 -48.836 1.00 3.31 H new ATOM 0 HG1 THR A 184 -10.861 34.863 -49.392 1.00 25.41 H new ATOM 0 HG21 THR A 184 -7.771 35.037 -48.189 1.00 51.10 H new ATOM 0 HG22 THR A 184 -8.280 36.008 -46.788 1.00 51.10 H new ATOM 0 HG23 THR A 184 -9.100 34.471 -47.150 1.00 51.10 H new ATOM 182 N VAL A 185 -11.708 35.238 -45.799 1.00 43.51 N ATOM 183 CA VAL A 185 -12.458 34.173 -45.134 1.00 73.04 C ATOM 184 C VAL A 185 -13.803 34.775 -44.710 1.00 11.42 C ATOM 185 O VAL A 185 -14.133 34.873 -43.529 1.00 54.52 O ATOM 186 CB VAL A 185 -11.626 33.542 -43.993 1.00 23.54 C ATOM 187 CG1 VAL A 185 -12.290 32.270 -43.437 1.00 72.43 C ATOM 188 CG2 VAL A 185 -10.214 33.134 -44.461 1.00 23.12 C ATOM 0 H VAL A 185 -11.184 35.829 -45.154 1.00 43.51 H new ATOM 0 HA VAL A 185 -12.663 33.331 -45.795 1.00 73.04 H new ATOM 0 HB VAL A 185 -11.565 34.313 -43.225 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -11.674 31.858 -42.638 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -13.277 32.516 -43.045 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -12.390 31.534 -44.234 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -9.667 32.696 -43.627 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -10.294 32.403 -45.266 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -9.682 34.014 -44.822 1.00 23.12 H new ATOM 198 N GLY A 186 -14.585 35.204 -45.700 1.00 64.11 N ATOM 199 CA GLY A 186 -15.857 35.872 -45.529 1.00 14.24 C ATOM 200 C GLY A 186 -16.741 35.479 -46.699 1.00 62.45 C ATOM 201 O GLY A 186 -16.289 35.497 -47.841 1.00 21.23 O ATOM 0 H GLY A 186 -14.331 35.086 -46.681 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -16.319 35.581 -44.585 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -15.721 36.953 -45.498 1.00 14.24 H new ATOM 205 N LEU A 187 -17.984 35.097 -46.399 1.00 72.41 N ATOM 206 CA LEU A 187 -19.065 34.673 -47.301 1.00 12.03 C ATOM 207 C LEU A 187 -18.752 33.583 -48.339 1.00 61.21 C ATOM 208 O LEU A 187 -19.639 33.201 -49.097 1.00 12.43 O ATOM 209 CB LEU A 187 -19.800 35.890 -47.891 1.00 63.55 C ATOM 210 CG LEU A 187 -19.168 36.464 -49.181 1.00 32.34 C ATOM 211 CD1 LEU A 187 -20.154 36.338 -50.345 1.00 15.23 C ATOM 212 CD2 LEU A 187 -18.770 37.932 -48.997 1.00 11.21 C ATOM 0 H LEU A 187 -18.292 35.073 -45.427 1.00 72.41 H new ATOM 0 HA LEU A 187 -19.744 34.128 -46.646 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -20.831 35.607 -48.103 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -19.834 36.677 -47.138 1.00 63.55 H new ATOM 0 HG LEU A 187 -18.267 35.891 -49.401 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -19.702 36.744 -51.250 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -20.399 35.288 -50.502 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -21.063 36.892 -50.113 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -18.329 38.308 -49.920 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -19.654 38.521 -48.751 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -18.044 38.013 -48.188 1.00 11.21 H new ATOM 674 N MET A 214 -10.428 -3.000 -10.517 1.00 0.24 N ATOM 675 CA MET A 214 -10.162 -2.792 -9.126 1.00 32.05 C ATOM 676 C MET A 214 -11.063 -1.699 -8.586 1.00 23.33 C ATOM 677 O MET A 214 -11.453 -0.743 -9.265 1.00 53.34 O ATOM 678 CB MET A 214 -8.676 -2.452 -8.951 1.00 13.22 C ATOM 679 CG MET A 214 -8.278 -1.060 -9.457 1.00 41.51 C ATOM 680 SD MET A 214 -6.487 -0.820 -9.564 1.00 21.51 S ATOM 681 CE MET A 214 -6.442 0.914 -10.086 1.00 63.42 C ATOM 0 HA MET A 214 -10.376 -3.697 -8.557 1.00 32.05 H new ATOM 0 HB2 MET A 214 -8.421 -2.527 -7.894 1.00 13.22 H new ATOM 0 HB3 MET A 214 -8.081 -3.199 -9.476 1.00 13.22 H new ATOM 0 HG2 MET A 214 -8.718 -0.900 -10.441 1.00 41.51 H new ATOM 0 HG3 MET A 214 -8.699 -0.306 -8.793 1.00 41.51 H new ATOM 0 HE1 MET A 214 -5.406 1.232 -10.202 1.00 63.42 H new ATOM 0 HE2 MET A 214 -6.963 1.021 -11.037 1.00 63.42 H new ATOM 0 HE3 MET A 214 -6.930 1.533 -9.333 1.00 63.42 H new ATOM 691 N LEU A 215 -11.312 -1.852 -7.305 1.00 34.21 N ATOM 692 CA LEU A 215 -12.089 -0.981 -6.445 1.00 73.12 C ATOM 693 C LEU A 215 -11.296 -0.751 -5.164 1.00 63.53 C ATOM 694 O LEU A 215 -10.226 -1.344 -5.002 1.00 4.22 O ATOM 695 CB LEU A 215 -13.482 -1.606 -6.228 1.00 11.32 C ATOM 696 CG LEU A 215 -13.703 -2.552 -5.025 1.00 5.51 C ATOM 697 CD1 LEU A 215 -15.111 -3.144 -5.118 1.00 20.01 C ATOM 698 CD2 LEU A 215 -12.682 -3.685 -4.891 1.00 75.40 C ATOM 0 H LEU A 215 -10.947 -2.655 -6.793 1.00 34.21 H new ATOM 0 HA LEU A 215 -12.264 -0.001 -6.890 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -14.198 -0.789 -6.140 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -13.739 -2.159 -7.132 1.00 11.32 H new ATOM 0 HG LEU A 215 -13.572 -1.940 -4.133 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -15.280 -3.814 -4.275 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -15.846 -2.340 -5.096 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -15.211 -3.701 -6.050 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -12.924 -4.291 -4.018 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -12.711 -4.308 -5.785 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -11.684 -3.263 -4.775 1.00 75.40 H new ATOM 710 N GLU A 216 -11.811 0.068 -4.247 1.00 42.34 N ATOM 711 CA GLU A 216 -11.351 0.109 -2.861 1.00 21.22 C ATOM 712 C GLU A 216 -12.510 0.239 -1.867 1.00 61.20 C ATOM 713 O GLU A 216 -12.315 0.672 -0.732 1.00 11.33 O ATOM 714 CB GLU A 216 -10.282 1.194 -2.641 1.00 25.21 C ATOM 715 CG GLU A 216 -8.978 0.837 -3.351 1.00 54.02 C ATOM 716 CD GLU A 216 -7.799 1.647 -2.845 1.00 1.13 C ATOM 717 OE1 GLU A 216 -7.715 2.847 -3.188 1.00 13.22 O ATOM 718 OE2 GLU A 216 -6.901 1.069 -2.179 1.00 44.35 O1- ATOM 0 H GLU A 216 -12.564 0.726 -4.448 1.00 42.34 H new ATOM 0 HA GLU A 216 -10.876 -0.852 -2.663 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -10.650 2.151 -3.011 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -10.097 1.314 -1.574 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -8.772 -0.224 -3.212 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -9.095 1.002 -4.422 1.00 54.02 H new ATOM 725 N LYS A 217 -13.728 -0.139 -2.258 1.00 71.23 N ATOM 726 CA LYS A 217 -14.830 -0.350 -1.324 1.00 24.12 C ATOM 727 C LYS A 217 -15.296 -1.790 -1.483 1.00 41.53 C ATOM 728 O LYS A 217 -16.421 -2.085 -1.886 1.00 65.12 O ATOM 729 CB LYS A 217 -15.907 0.738 -1.479 1.00 63.53 C ATOM 730 CG LYS A 217 -16.435 1.109 -0.090 1.00 33.31 C ATOM 731 CD LYS A 217 -17.434 2.262 -0.153 1.00 21.23 C ATOM 732 CE LYS A 217 -17.647 2.790 1.266 1.00 11.23 C ATOM 733 NZ LYS A 217 -18.564 3.942 1.282 1.00 34.23 N1+ ATOM 0 H LYS A 217 -13.976 -0.307 -3.233 1.00 71.23 H new ATOM 0 HA LYS A 217 -14.521 -0.234 -0.285 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -15.489 1.616 -1.971 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -16.721 0.377 -2.108 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -16.912 0.239 0.362 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -15.600 1.386 0.554 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -17.059 3.054 -0.801 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -18.379 1.923 -0.578 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -18.049 1.995 1.894 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -16.688 3.081 1.695 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.686 4.275 2.260 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -18.168 4.709 0.702 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -19.486 3.657 0.896 1.00 34.23 H new ATOM 747 N CYS A 218 -14.358 -2.702 -1.246 1.00 72.34 N ATOM 748 CA CYS A 218 -14.610 -4.130 -1.183 1.00 52.25 C ATOM 749 C CYS A 218 -15.508 -4.392 0.045 1.00 53.24 C ATOM 750 O CYS A 218 -15.437 -3.636 1.015 1.00 3.44 O ATOM 751 CB CYS A 218 -13.231 -4.797 -1.082 1.00 41.44 C ATOM 752 SG CYS A 218 -13.229 -6.530 -1.605 1.00 24.22 S ATOM 0 H CYS A 218 -13.380 -2.458 -1.089 1.00 72.34 H new ATOM 0 HA CYS A 218 -15.131 -4.533 -2.052 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.521 -4.240 -1.693 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.881 -4.736 -0.052 1.00 41.44 H new ATOM 0 HG CYS A 218 -12.083 -6.818 -2.148 1.00 24.22 H new ATOM 758 N PRO A 219 -16.347 -5.442 0.059 1.00 2.24 N ATOM 759 CA PRO A 219 -17.231 -5.739 1.192 1.00 23.03 C ATOM 760 C PRO A 219 -16.514 -6.195 2.473 1.00 53.55 C ATOM 761 O PRO A 219 -17.187 -6.417 3.483 1.00 51.44 O ATOM 762 CB PRO A 219 -18.203 -6.806 0.677 1.00 13.32 C ATOM 763 CG PRO A 219 -17.437 -7.470 -0.459 1.00 34.20 C ATOM 764 CD PRO A 219 -16.686 -6.298 -1.068 1.00 63.34 C ATOM 0 HA PRO A 219 -17.733 -4.825 1.510 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.463 -7.521 1.457 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -19.135 -6.363 0.327 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.760 -8.243 -0.096 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -18.105 -7.944 -1.178 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.791 -6.632 -1.593 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.303 -5.769 -1.794 1.00 63.34 H new ATOM 772 N PHE A 220 -15.187 -6.382 2.448 1.00 52.33 N ATOM 773 CA PHE A 220 -14.431 -6.988 3.546 1.00 13.33 C ATOM 774 C PHE A 220 -14.680 -6.369 4.942 1.00 31.11 C ATOM 775 O PHE A 220 -14.970 -5.174 5.054 1.00 61.21 O ATOM 776 CB PHE A 220 -12.943 -7.212 3.219 1.00 12.53 C ATOM 777 CG PHE A 220 -12.264 -6.103 2.477 1.00 53.04 C ATOM 778 CD1 PHE A 220 -12.595 -4.789 2.785 1.00 11.32 C ATOM 779 CD2 PHE A 220 -11.287 -6.384 1.521 1.00 43.24 C ATOM 780 CE1 PHE A 220 -11.867 -3.720 2.239 1.00 35.04 C ATOM 781 CE2 PHE A 220 -10.534 -5.327 0.974 1.00 24.41 C ATOM 782 CZ PHE A 220 -10.803 -3.999 1.360 1.00 24.35 C ATOM 0 H PHE A 220 -14.605 -6.113 1.655 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.862 -7.985 3.635 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.407 -7.380 4.153 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.853 -8.125 2.631 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -13.421 -4.588 3.451 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.110 -7.401 1.204 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -12.119 -2.700 2.489 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -9.751 -5.534 0.259 1.00 24.41 H new ATOM 0 HZ PHE A 220 -10.192 -3.193 0.981 1.00 24.35 H new ATOM 792 N PRO A 221 -14.510 -7.149 6.023 1.00 52.42 N ATOM 793 CA PRO A 221 -14.357 -6.600 7.364 1.00 64.02 C ATOM 794 C PRO A 221 -13.007 -5.869 7.496 1.00 52.52 C ATOM 795 O PRO A 221 -12.144 -5.939 6.612 1.00 61.24 O ATOM 796 CB PRO A 221 -14.475 -7.807 8.304 1.00 3.32 C ATOM 797 CG PRO A 221 -13.967 -8.970 7.455 1.00 31.34 C ATOM 798 CD PRO A 221 -14.409 -8.600 6.041 1.00 13.23 C ATOM 0 HA PRO A 221 -15.111 -5.851 7.605 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.875 -7.675 9.204 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -15.504 -7.965 8.627 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.884 -9.073 7.523 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.398 -9.919 7.775 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.689 -8.951 5.302 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.366 -9.061 5.797 1.00 13.23 H new ATOM 806 N ALA A 222 -12.817 -5.163 8.612 1.00 15.10 N ATOM 807 CA ALA A 222 -11.556 -4.529 8.976 1.00 33.50 C ATOM 808 C ALA A 222 -10.513 -5.571 9.385 1.00 45.31 C ATOM 809 O ALA A 222 -10.857 -6.611 9.951 1.00 5.14 O ATOM 810 CB ALA A 222 -11.814 -3.599 10.167 1.00 54.51 C ATOM 0 H ALA A 222 -13.554 -5.015 9.301 1.00 15.10 H new ATOM 0 HA ALA A 222 -11.175 -3.978 8.116 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -10.883 -3.113 10.457 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -12.546 -2.842 9.886 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -12.197 -4.180 11.006 1.00 54.51 H new ATOM 816 N GLY A 223 -9.242 -5.234 9.176 1.00 72.54 N ATOM 817 CA GLY A 223 -8.081 -5.833 9.820 1.00 54.34 C ATOM 818 C GLY A 223 -7.900 -7.319 9.514 1.00 13.20 C ATOM 819 O GLY A 223 -7.237 -8.024 10.271 1.00 13.51 O ATOM 0 H GLY A 223 -8.984 -4.498 8.519 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -7.186 -5.296 9.506 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.169 -5.702 10.899 1.00 54.34 H new ATOM 823 N SER A 224 -8.512 -7.812 8.438 1.00 12.10 N ATOM 824 CA SER A 224 -8.705 -9.232 8.203 1.00 32.34 C ATOM 825 C SER A 224 -7.928 -9.668 6.966 1.00 62.33 C ATOM 826 O SER A 224 -7.825 -8.924 5.993 1.00 52.54 O ATOM 827 CB SER A 224 -10.200 -9.487 8.033 1.00 2.20 C ATOM 828 OG SER A 224 -10.910 -9.249 9.234 1.00 61.34 O ATOM 0 H SER A 224 -8.891 -7.222 7.697 1.00 12.10 H new ATOM 0 HA SER A 224 -8.332 -9.813 9.046 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.592 -8.844 7.245 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.360 -10.517 7.713 1.00 2.20 H new ATOM 0 HG SER A 224 -10.893 -8.291 9.440 1.00 61.34 H new ATOM 834 N ASP A 225 -7.456 -10.917 6.951 1.00 61.25 N ATOM 835 CA ASP A 225 -6.698 -11.497 5.835 1.00 53.22 C ATOM 836 C ASP A 225 -7.485 -11.485 4.523 1.00 11.51 C ATOM 837 O ASP A 225 -6.899 -11.469 3.443 1.00 20.21 O ATOM 838 CB ASP A 225 -6.341 -12.942 6.169 1.00 65.42 C ATOM 839 CG ASP A 225 -5.361 -13.572 5.172 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.421 -12.913 4.668 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.514 -14.777 4.898 1.00 40.32 O ATOM 0 H ASP A 225 -7.591 -11.566 7.726 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.805 -10.887 5.699 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -5.906 -12.980 7.168 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.254 -13.537 6.196 1.00 65.42 H new ATOM 846 N LEU A 226 -8.821 -11.420 4.597 1.00 65.13 N ATOM 847 CA LEU A 226 -9.666 -11.266 3.418 1.00 13.44 C ATOM 848 C LEU A 226 -9.260 -10.038 2.602 1.00 72.23 C ATOM 849 O LEU A 226 -9.341 -10.062 1.374 1.00 44.25 O ATOM 850 CB LEU A 226 -11.146 -11.099 3.800 1.00 21.33 C ATOM 851 CG LEU A 226 -11.875 -12.372 4.256 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.290 -11.966 4.683 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.959 -13.429 3.148 1.00 31.03 C ATOM 0 H LEU A 226 -9.339 -11.473 5.474 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.533 -12.174 2.829 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.213 -10.361 4.599 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.677 -10.688 2.942 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.317 -12.821 5.078 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.838 -12.849 5.014 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.231 -11.248 5.501 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.809 -11.513 3.838 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.483 -14.308 3.523 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.500 -13.020 2.295 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.953 -13.712 2.838 1.00 31.03 H new ATOM 865 N ALA A 227 -8.838 -8.966 3.271 1.00 33.13 N ATOM 866 CA ALA A 227 -8.361 -7.752 2.641 1.00 31.51 C ATOM 867 C ALA A 227 -7.074 -8.005 1.847 1.00 61.32 C ATOM 868 O ALA A 227 -6.953 -7.538 0.712 1.00 1.22 O ATOM 869 CB ALA A 227 -8.225 -6.673 3.719 1.00 20.11 C ATOM 0 H ALA A 227 -8.821 -8.924 4.290 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.076 -7.396 1.900 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -7.866 -5.749 3.266 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.196 -6.497 4.182 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -7.516 -7.004 4.478 1.00 20.11 H new ATOM 875 N GLN A 228 -6.149 -8.808 2.377 1.00 2.11 N ATOM 876 CA GLN A 228 -4.947 -9.225 1.671 1.00 62.54 C ATOM 877 C GLN A 228 -5.306 -10.157 0.503 1.00 60.13 C ATOM 878 O GLN A 228 -4.764 -9.995 -0.591 1.00 43.54 O ATOM 879 CB GLN A 228 -3.974 -9.848 2.687 1.00 74.33 C ATOM 880 CG GLN A 228 -2.842 -10.646 2.036 1.00 13.33 C ATOM 881 CD GLN A 228 -1.709 -10.952 3.011 1.00 64.54 C ATOM 882 OE1 GLN A 228 -0.587 -10.486 2.820 1.00 5.12 O ATOM 883 NE2 GLN A 228 -1.961 -11.700 4.077 1.00 5.01 N ATOM 0 H GLN A 228 -6.219 -9.189 3.321 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.444 -8.371 1.217 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -3.544 -9.056 3.300 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -4.531 -10.503 3.357 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.241 -11.581 1.642 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -2.447 -10.085 1.189 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -2.896 -12.080 4.224 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.220 -11.895 4.750 1.00 5.01 H new ATOM 892 N LYS A 229 -6.221 -11.115 0.695 1.00 14.24 N ATOM 893 CA LYS A 229 -6.640 -12.020 -0.381 1.00 61.11 C ATOM 894 C LYS A 229 -7.357 -11.272 -1.496 1.00 50.14 C ATOM 895 O LYS A 229 -7.201 -11.656 -2.656 1.00 20.33 O ATOM 896 CB LYS A 229 -7.507 -13.177 0.150 1.00 43.15 C ATOM 897 CG LYS A 229 -6.671 -14.426 0.470 1.00 65.30 C ATOM 898 CD LYS A 229 -5.690 -14.186 1.620 1.00 2.11 C ATOM 899 CE LYS A 229 -4.948 -15.467 2.003 1.00 22.04 C ATOM 900 NZ LYS A 229 -3.801 -15.151 2.872 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.686 -11.283 1.587 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.732 -12.453 -0.800 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -8.032 -12.853 1.048 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -8.267 -13.429 -0.590 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -7.336 -15.250 0.728 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -6.118 -14.729 -0.419 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -4.970 -13.420 1.331 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -6.230 -13.805 2.486 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -5.626 -16.149 2.517 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -4.603 -15.978 1.104 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -3.012 -15.791 2.652 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -3.504 -14.167 2.711 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -4.076 -15.271 3.868 1.00 4.21 H new ATOM 914 N TRP A 230 -8.105 -10.211 -1.192 1.00 13.20 N ATOM 915 CA TRP A 230 -8.614 -9.328 -2.227 1.00 72.33 C ATOM 916 C TRP A 230 -7.426 -8.692 -2.955 1.00 31.00 C ATOM 917 O TRP A 230 -7.343 -8.764 -4.179 1.00 23.12 O ATOM 918 CB TRP A 230 -9.560 -8.266 -1.654 1.00 34.15 C ATOM 919 CG TRP A 230 -9.872 -7.221 -2.673 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.717 -7.375 -3.714 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.171 -5.968 -2.914 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.577 -6.317 -4.584 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.609 -5.437 -4.159 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.150 -5.272 -2.237 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.051 -4.276 -4.708 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -7.582 -4.110 -2.782 1.00 33.44 C ATOM 927 CH2 TRP A 230 -8.030 -3.613 -4.014 1.00 4.35 C ATOM 0 H TRP A 230 -8.367 -9.948 -0.242 1.00 13.20 H new ATOM 0 HA TRP A 230 -9.205 -9.908 -2.936 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.483 -8.739 -1.319 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.104 -7.802 -0.780 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.399 -8.202 -3.845 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.123 -6.200 -5.438 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.799 -5.638 -1.284 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -9.403 -3.896 -5.655 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -6.796 -3.596 -2.249 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -7.588 -2.719 -4.428 1.00 4.35 H new ATOM 938 N HIS A 231 -6.498 -8.095 -2.201 1.00 41.52 N ATOM 939 CA HIS A 231 -5.388 -7.309 -2.730 1.00 44.11 C ATOM 940 C HIS A 231 -4.473 -8.119 -3.657 1.00 62.42 C ATOM 941 O HIS A 231 -3.870 -7.549 -4.564 1.00 2.10 O ATOM 942 CB HIS A 231 -4.607 -6.717 -1.546 1.00 73.30 C ATOM 943 CG HIS A 231 -3.643 -5.634 -1.937 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.354 -5.482 -1.483 1.00 54.43 N ATOM 945 CD2 HIS A 231 -3.925 -4.582 -2.757 1.00 54.44 C ATOM 946 CE1 HIS A 231 -1.863 -4.355 -2.028 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.790 -3.763 -2.807 1.00 72.12 N ATOM 0 H HIS A 231 -6.501 -8.148 -1.182 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.792 -6.509 -3.350 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -5.314 -6.316 -0.820 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.058 -7.517 -1.048 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -4.857 -4.411 -3.275 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -0.865 -3.977 -1.864 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -2.686 -2.893 -3.329 1.00 72.12 H new ATOM 955 N LEU A 232 -4.391 -9.439 -3.458 1.00 43.21 N ATOM 956 CA LEU A 232 -3.761 -10.390 -4.372 1.00 54.14 C ATOM 957 C LEU A 232 -4.317 -10.198 -5.791 1.00 63.01 C ATOM 958 O LEU A 232 -3.577 -9.970 -6.746 1.00 33.14 O ATOM 959 CB LEU A 232 -4.016 -11.816 -3.843 1.00 63.34 C ATOM 960 CG LEU A 232 -3.254 -12.925 -4.594 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.780 -12.969 -4.179 1.00 23.25 C ATOM 962 CD2 LEU A 232 -3.899 -14.280 -4.275 1.00 64.32 C ATOM 0 H LEU A 232 -4.776 -9.887 -2.626 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.685 -10.223 -4.422 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.740 -11.853 -2.789 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -5.084 -12.025 -3.900 1.00 63.34 H new ATOM 0 HG LEU A 232 -3.306 -12.713 -5.662 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.271 -13.762 -4.727 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.310 -12.012 -4.405 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.709 -13.164 -3.109 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -3.365 -15.070 -4.803 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -3.849 -14.463 -3.202 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -4.941 -14.271 -4.594 1.00 64.32 H new ATOM 974 N ILE A 233 -5.640 -10.279 -5.921 1.00 20.31 N ATOM 975 CA ILE A 233 -6.337 -10.220 -7.197 1.00 12.23 C ATOM 976 C ILE A 233 -6.371 -8.774 -7.702 1.00 33.40 C ATOM 977 O ILE A 233 -6.086 -8.551 -8.878 1.00 73.01 O ATOM 978 CB ILE A 233 -7.734 -10.870 -7.055 1.00 31.24 C ATOM 979 CG1 ILE A 233 -7.658 -12.305 -6.470 1.00 41.21 C ATOM 980 CG2 ILE A 233 -8.488 -10.896 -8.395 1.00 11.11 C ATOM 981 CD1 ILE A 233 -6.648 -13.244 -7.148 1.00 1.50 C ATOM 0 H ILE A 233 -6.267 -10.390 -5.124 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.807 -10.794 -7.957 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.287 -10.245 -6.353 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.408 -12.234 -5.412 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -8.648 -12.757 -6.534 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -9.464 -11.360 -8.254 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -8.619 -9.877 -8.758 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -7.915 -11.470 -9.124 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -6.676 -14.220 -6.663 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -6.905 -13.355 -8.201 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -5.646 -12.824 -7.062 1.00 1.50 H new ATOM 993 N LYS A 234 -6.642 -7.786 -6.837 1.00 35.12 N ATOM 994 CA LYS A 234 -6.802 -6.362 -7.155 1.00 65.43 C ATOM 995 C LYS A 234 -7.994 -6.105 -8.085 1.00 71.04 C ATOM 996 O LYS A 234 -8.966 -5.483 -7.668 1.00 11.24 O ATOM 997 CB LYS A 234 -5.474 -5.749 -7.656 1.00 41.01 C ATOM 998 CG LYS A 234 -5.586 -4.225 -7.809 1.00 40.11 C ATOM 999 CD LYS A 234 -4.386 -3.561 -8.500 1.00 52.01 C ATOM 1000 CE LYS A 234 -4.368 -3.849 -10.006 1.00 24.13 C ATOM 1001 NZ LYS A 234 -3.345 -3.053 -10.719 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.762 -7.971 -5.841 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.049 -5.837 -6.232 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -4.673 -5.989 -6.956 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.204 -6.194 -8.614 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -6.488 -3.996 -8.377 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -5.710 -3.782 -6.821 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -4.422 -2.484 -8.336 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -3.461 -3.922 -8.049 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -4.177 -4.910 -10.168 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -5.350 -3.634 -10.426 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -3.371 -3.282 -11.733 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -3.540 -2.040 -10.588 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -2.403 -3.276 -10.338 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.921 -6.539 -9.337 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.945 -6.407 -10.361 1.00 11.35 C ATOM 1017 C GLN A 235 -9.421 -7.813 -10.708 1.00 33.24 C ATOM 1018 O GLN A 235 -8.683 -8.567 -11.349 1.00 30.21 O ATOM 1019 CB GLN A 235 -8.401 -5.677 -11.602 1.00 22.32 C ATOM 1020 CG GLN A 235 -7.021 -6.151 -12.108 1.00 50.13 C ATOM 1021 CD GLN A 235 -7.055 -6.560 -13.577 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -7.332 -5.754 -14.465 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -6.762 -7.818 -13.860 1.00 43.20 N ATOM 0 H GLN A 235 -7.093 -7.022 -9.684 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.777 -5.806 -9.993 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -9.122 -5.789 -12.412 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.338 -4.613 -11.376 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -6.292 -5.352 -11.972 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -6.685 -6.995 -11.505 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -6.535 -8.470 -13.109 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -6.763 -8.136 -14.829 1.00 43.20 H new