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= -0.151 X(o=-0.15,f=0) USER MOD Single : A 182 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ -172:sc=-0.00264 (180deg=-0.104) USER MOD Single : A 218 CYS SG : rot 179:sc= -0.403 USER MOD Single : A 224 SER OG : rot -54:sc= 1 USER MOD Single : A 228 GLN : amide:sc=-0.00619 K(o=-0.0062,f=-0.84) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.75) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -29.797 66.615 38.354 1.00 42.40 N ATOM 37 CA LEU A 177 -31.153 66.703 37.805 1.00 14.14 C ATOM 38 C LEU A 177 -31.124 66.359 36.307 1.00 25.25 C ATOM 39 O LEU A 177 -31.865 66.923 35.509 1.00 72.32 O ATOM 40 CB LEU A 177 -31.769 68.103 38.077 1.00 62.05 C ATOM 41 CG LEU A 177 -32.302 68.422 39.490 1.00 74.24 C ATOM 42 CD1 LEU A 177 -33.344 67.401 39.964 1.00 32.31 C ATOM 43 CD2 LEU A 177 -31.213 68.584 40.558 1.00 21.13 C ATOM 0 HA LEU A 177 -31.796 65.978 38.304 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -31.012 68.849 37.834 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -32.591 68.243 37.375 1.00 62.05 H new ATOM 0 HG LEU A 177 -32.779 69.395 39.376 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -33.688 67.669 40.963 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -34.190 67.399 39.277 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -32.895 66.408 39.989 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -31.676 68.806 41.519 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -30.640 67.660 40.636 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -30.548 69.401 40.278 1.00 21.13 H new ATOM 55 N ARG A 178 -30.250 65.422 35.907 1.00 24.30 N ATOM 56 CA ARG A 178 -29.743 65.309 34.530 1.00 3.45 C ATOM 57 C ARG A 178 -29.032 66.625 34.152 1.00 25.42 C ATOM 58 O ARG A 178 -28.705 67.422 35.029 1.00 34.30 O ATOM 59 CB ARG A 178 -30.851 64.855 33.532 1.00 73.44 C ATOM 60 CG ARG A 178 -30.819 63.365 33.162 1.00 23.23 C ATOM 61 CD ARG A 178 -31.339 62.452 34.281 1.00 61.32 C ATOM 62 NE ARG A 178 -31.469 61.053 33.820 1.00 43.12 N ATOM 63 CZ ARG A 178 -32.505 60.518 33.151 1.00 4.41 C ATOM 64 NH1 ARG A 178 -33.588 61.245 32.872 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -32.452 59.247 32.756 1.00 63.23 N ATOM 0 H ARG A 178 -29.872 64.714 36.537 1.00 24.30 H new ATOM 0 HA ARG A 178 -29.002 64.513 34.467 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -31.825 65.086 33.964 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -30.760 65.443 32.619 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -31.418 63.207 32.265 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -29.796 63.080 32.916 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -30.660 62.494 35.132 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -32.307 62.814 34.627 1.00 61.32 H new ATOM 0 HE ARG A 178 -30.691 60.428 34.032 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -33.638 62.220 33.167 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -34.367 60.826 32.364 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -31.627 58.683 32.961 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -33.236 58.838 32.248 1.00 63.23 H new ATOM 79 N GLN A 179 -28.658 66.767 32.875 1.00 24.00 N ATOM 80 CA GLN A 179 -28.031 67.949 32.282 1.00 3.32 C ATOM 81 C GLN A 179 -27.898 67.773 30.765 1.00 35.51 C ATOM 82 O GLN A 179 -28.073 68.732 30.023 1.00 2.32 O ATOM 83 CB GLN A 179 -26.654 68.271 32.909 1.00 52.52 C ATOM 84 CG GLN A 179 -25.739 67.054 33.143 1.00 55.30 C ATOM 85 CD GLN A 179 -24.338 67.416 33.637 1.00 71.53 C ATOM 86 OE1 GLN A 179 -23.379 66.741 33.298 1.00 14.25 O ATOM 87 NE2 GLN A 179 -24.176 68.441 34.459 1.00 3.14 N ATOM 0 H GLN A 179 -28.793 66.020 32.194 1.00 24.00 H new ATOM 0 HA GLN A 179 -28.682 68.797 32.495 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -26.134 68.977 32.262 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -26.816 68.773 33.863 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -26.210 66.393 33.870 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -25.652 66.494 32.212 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -24.980 69.002 34.739 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -23.247 68.670 34.812 1.00 3.14 H new ATOM 96 N ARG A 180 -27.591 66.558 30.280 1.00 65.05 N ATOM 97 CA ARG A 180 -27.454 66.332 28.839 1.00 64.25 C ATOM 98 C ARG A 180 -28.786 66.585 28.143 1.00 43.03 C ATOM 99 O ARG A 180 -29.830 66.199 28.674 1.00 61.12 O ATOM 100 CB ARG A 180 -26.865 64.939 28.529 1.00 54.40 C ATOM 101 CG ARG A 180 -27.746 63.698 28.800 1.00 40.31 C ATOM 102 CD ARG A 180 -28.601 63.218 27.608 1.00 25.33 C ATOM 103 NE ARG A 180 -30.017 63.621 27.709 1.00 63.12 N ATOM 104 CZ ARG A 180 -31.061 62.987 27.154 1.00 4.44 C ATOM 105 NH1 ARG A 180 -30.867 61.940 26.362 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -32.291 63.410 27.415 1.00 74.54 N ATOM 0 H ARG A 180 -27.436 65.732 30.858 1.00 65.05 H new ATOM 0 HA ARG A 180 -26.735 67.046 28.439 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -26.582 64.924 27.476 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -25.948 64.829 29.107 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -27.101 62.878 29.116 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -28.410 63.921 29.635 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -28.181 63.617 26.684 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -28.543 62.132 27.542 1.00 25.33 H new ATOM 0 HE ARG A 180 -30.221 64.460 28.252 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -29.920 61.613 26.172 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -31.665 61.462 25.943 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -32.435 64.209 28.032 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -33.092 62.936 26.999 1.00 74.54 H new ATOM 120 N LEU A 181 -28.723 67.120 26.925 1.00 42.44 N ATOM 121 CA LEU A 181 -29.867 67.355 26.042 1.00 73.23 C ATOM 122 C LEU A 181 -29.698 66.689 24.674 1.00 71.21 C ATOM 123 O LEU A 181 -30.525 66.872 23.789 1.00 74.14 O ATOM 124 CB LEU A 181 -30.143 68.865 25.906 1.00 33.22 C ATOM 125 CG LEU A 181 -29.005 69.640 25.198 1.00 33.35 C ATOM 126 CD1 LEU A 181 -29.550 70.541 24.087 1.00 5.21 C ATOM 127 CD2 LEU A 181 -28.201 70.474 26.203 1.00 70.12 C ATOM 0 H LEU A 181 -27.839 67.414 26.509 1.00 42.44 H new ATOM 0 HA LEU A 181 -30.736 66.886 26.504 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -31.070 69.008 25.350 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -30.298 69.289 26.898 1.00 33.22 H new ATOM 0 HG LEU A 181 -28.343 68.902 24.746 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -28.725 71.071 23.611 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -30.067 69.932 23.345 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -30.247 71.263 24.513 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -27.408 71.009 25.680 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -28.861 71.191 26.691 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -27.762 69.816 26.953 1.00 70.12 H new ATOM 139 N GLN A 182 -28.624 65.922 24.493 1.00 62.31 N ATOM 140 CA GLN A 182 -28.455 65.066 23.331 1.00 40.10 C ATOM 141 C GLN A 182 -29.440 63.912 23.501 1.00 63.11 C ATOM 142 O GLN A 182 -29.242 63.058 24.367 1.00 12.30 O ATOM 143 CB GLN A 182 -26.998 64.592 23.218 1.00 72.53 C ATOM 144 CG GLN A 182 -26.778 63.684 21.993 1.00 23.40 C ATOM 145 CD GLN A 182 -25.320 63.248 21.849 1.00 41.05 C ATOM 146 OE1 GLN A 182 -24.596 63.111 22.827 1.00 54.13 O ATOM 147 NE2 GLN A 182 -24.853 63.014 20.634 1.00 22.23 N ATOM 0 H GLN A 182 -27.847 65.880 25.153 1.00 62.31 H new ATOM 0 HA GLN A 182 -28.663 65.594 22.400 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -26.340 65.458 23.150 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -26.722 64.052 24.124 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -27.412 62.802 22.079 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -27.088 64.212 21.091 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -25.461 63.130 19.823 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -23.885 62.718 20.508 1.00 22.23 H new ATOM 156 N ASP A 183 -30.510 63.930 22.713 1.00 20.03 N ATOM 157 CA ASP A 183 -31.621 62.985 22.708 1.00 43.12 C ATOM 158 C ASP A 183 -32.114 62.844 21.273 1.00 32.23 C ATOM 159 O ASP A 183 -33.211 62.375 21.009 1.00 34.24 O ATOM 160 CB ASP A 183 -32.739 63.466 23.663 1.00 20.31 C ATOM 161 CG ASP A 183 -33.319 62.365 24.559 1.00 12.13 C ATOM 162 OD1 ASP A 183 -32.790 61.233 24.584 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -34.067 62.740 25.491 1.00 22.45 O ATOM 0 H ASP A 183 -30.632 64.659 22.010 1.00 20.03 H new ATOM 0 HA ASP A 183 -31.300 62.008 23.070 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -32.344 64.262 24.294 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -33.545 63.899 23.071 1.00 20.31 H new ATOM 168 N THR A 184 -31.290 63.283 20.317 1.00 51.30 N ATOM 169 CA THR A 184 -31.632 63.477 18.923 1.00 22.11 C ATOM 170 C THR A 184 -31.651 62.162 18.130 1.00 53.13 C ATOM 171 O THR A 184 -31.720 62.181 16.905 1.00 71.31 O ATOM 172 CB THR A 184 -30.644 64.516 18.352 1.00 3.31 C ATOM 173 OG1 THR A 184 -29.311 64.193 18.725 1.00 25.41 O ATOM 174 CG2 THR A 184 -30.932 65.917 18.909 1.00 51.10 C ATOM 0 H THR A 184 -30.318 63.522 20.515 1.00 51.30 H new ATOM 0 HA THR A 184 -32.652 63.851 18.833 1.00 22.11 H new ATOM 0 HB THR A 184 -30.764 64.503 17.269 1.00 3.31 H new ATOM 0 HG1 THR A 184 -28.697 64.860 18.354 1.00 25.41 H new ATOM 0 HG21 THR A 184 -30.221 66.629 18.490 1.00 51.10 H new ATOM 0 HG22 THR A 184 -31.945 66.215 18.639 1.00 51.10 H new ATOM 0 HG23 THR A 184 -30.835 65.904 19.995 1.00 51.10 H new ATOM 182 N VAL A 185 -31.566 61.029 18.834 1.00 43.51 N ATOM 183 CA VAL A 185 -31.763 59.668 18.320 1.00 73.04 C ATOM 184 C VAL A 185 -30.788 59.298 17.171 1.00 11.42 C ATOM 185 O VAL A 185 -31.010 58.326 16.453 1.00 54.52 O ATOM 186 CB VAL A 185 -33.267 59.429 17.984 1.00 23.54 C ATOM 187 CG1 VAL A 185 -33.649 57.938 18.042 1.00 72.43 C ATOM 188 CG2 VAL A 185 -34.247 60.139 18.942 1.00 23.12 C ATOM 0 H VAL A 185 -31.346 61.036 19.830 1.00 43.51 H new ATOM 0 HA VAL A 185 -31.499 58.968 19.112 1.00 73.04 H new ATOM 0 HB VAL A 185 -33.361 59.838 16.978 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -34.706 57.823 17.801 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -33.050 57.381 17.322 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -33.462 57.553 19.045 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -35.272 59.923 18.640 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -34.085 59.782 19.959 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -34.077 61.215 18.904 1.00 23.12 H new ATOM 198 N GLY A 186 -29.677 60.021 16.993 1.00 64.11 N ATOM 199 CA GLY A 186 -28.717 59.777 15.924 1.00 14.24 C ATOM 200 C GLY A 186 -27.307 60.050 16.421 1.00 62.45 C ATOM 201 O GLY A 186 -27.052 61.123 16.972 1.00 21.23 O ATOM 0 H GLY A 186 -29.421 60.801 17.598 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -28.797 58.746 15.580 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -28.941 60.416 15.070 1.00 14.24 H new ATOM 205 N LEU A 187 -26.397 59.088 16.236 1.00 72.41 N ATOM 206 CA LEU A 187 -24.982 59.204 16.573 1.00 12.03 C ATOM 207 C LEU A 187 -24.203 58.260 15.650 1.00 61.21 C ATOM 208 O LEU A 187 -23.986 57.099 15.986 1.00 12.43 O ATOM 209 CB LEU A 187 -24.772 58.916 18.077 1.00 63.55 C ATOM 210 CG LEU A 187 -23.428 59.432 18.637 1.00 32.34 C ATOM 211 CD1 LEU A 187 -23.481 59.421 20.171 1.00 15.23 C ATOM 212 CD2 LEU A 187 -22.209 58.619 18.187 1.00 11.21 C ATOM 0 H LEU A 187 -26.636 58.181 15.835 1.00 72.41 H new ATOM 0 HA LEU A 187 -24.608 60.215 16.412 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -25.587 59.371 18.640 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -24.833 57.840 18.242 1.00 63.55 H new ATOM 0 HG LEU A 187 -23.302 60.439 18.240 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -22.534 59.785 20.570 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -24.290 60.067 20.512 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -23.656 58.404 20.522 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -21.306 59.046 18.623 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -22.318 57.586 18.517 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -22.135 58.646 17.100 1.00 11.21 H new ATOM 674 N MET A 214 -1.864 -0.936 -6.424 1.00 0.24 N ATOM 675 CA MET A 214 -1.737 -1.457 -5.064 1.00 32.05 C ATOM 676 C MET A 214 -2.295 -0.473 -4.032 1.00 23.33 C ATOM 677 O MET A 214 -1.569 0.132 -3.241 1.00 53.34 O ATOM 678 CB MET A 214 -0.302 -1.957 -4.825 1.00 13.22 C ATOM 679 CG MET A 214 -0.130 -3.302 -5.541 1.00 41.51 C ATOM 680 SD MET A 214 1.574 -3.821 -5.888 1.00 21.51 S ATOM 681 CE MET A 214 2.256 -3.858 -4.207 1.00 63.42 C ATOM 0 HA MET A 214 -2.366 -2.337 -4.932 1.00 32.05 H new ATOM 0 HB2 MET A 214 0.419 -1.232 -5.202 1.00 13.22 H new ATOM 0 HB3 MET A 214 -0.113 -2.069 -3.757 1.00 13.22 H new ATOM 0 HG2 MET A 214 -0.606 -4.074 -4.936 1.00 41.51 H new ATOM 0 HG3 MET A 214 -0.672 -3.258 -6.485 1.00 41.51 H new ATOM 0 HE1 MET A 214 3.303 -4.160 -4.246 1.00 63.42 H new ATOM 0 HE2 MET A 214 2.181 -2.866 -3.762 1.00 63.42 H new ATOM 0 HE3 MET A 214 1.695 -4.570 -3.602 1.00 63.42 H new ATOM 691 N LEU A 215 -3.621 -0.336 -4.055 1.00 34.21 N ATOM 692 CA LEU A 215 -4.421 0.399 -3.084 1.00 73.12 C ATOM 693 C LEU A 215 -4.585 -0.380 -1.780 1.00 63.53 C ATOM 694 O LEU A 215 -4.520 -1.614 -1.756 1.00 4.22 O ATOM 695 CB LEU A 215 -5.799 0.718 -3.700 1.00 11.32 C ATOM 696 CG LEU A 215 -6.733 -0.506 -3.841 1.00 5.51 C ATOM 697 CD1 LEU A 215 -7.815 -0.516 -2.761 1.00 20.01 C ATOM 698 CD2 LEU A 215 -7.418 -0.525 -5.214 1.00 75.40 C ATOM 0 H LEU A 215 -4.191 -0.757 -4.789 1.00 34.21 H new ATOM 0 HA LEU A 215 -3.903 1.326 -2.840 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -6.294 1.469 -3.084 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -5.650 1.161 -4.684 1.00 11.32 H new ATOM 0 HG LEU A 215 -6.104 -1.389 -3.730 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -8.452 -1.391 -2.892 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -7.347 -0.552 -1.777 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -8.419 0.388 -2.842 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -8.068 -1.397 -5.284 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -8.011 0.381 -5.337 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -6.662 -0.573 -5.997 1.00 75.40 H new ATOM 710 N GLU A 216 -4.938 0.338 -0.713 1.00 42.34 N ATOM 711 CA GLU A 216 -5.148 -0.235 0.610 1.00 21.22 C ATOM 712 C GLU A 216 -6.463 0.252 1.228 1.00 61.20 C ATOM 713 O GLU A 216 -6.481 0.956 2.236 1.00 11.33 O ATOM 714 CB GLU A 216 -3.893 -0.089 1.493 1.00 25.21 C ATOM 715 CG GLU A 216 -3.277 1.304 1.659 1.00 54.02 C ATOM 716 CD GLU A 216 -3.885 2.193 2.754 1.00 1.13 C ATOM 717 OE1 GLU A 216 -4.124 1.743 3.903 1.00 13.22 O ATOM 718 OE2 GLU A 216 -4.070 3.411 2.518 1.00 44.35 O1- ATOM 0 H GLU A 216 -5.087 1.346 -0.748 1.00 42.34 H new ATOM 0 HA GLU A 216 -5.282 -1.313 0.519 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -4.141 -0.463 2.486 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -3.124 -0.746 1.088 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -2.214 1.185 1.867 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -3.359 1.829 0.708 1.00 54.02 H new ATOM 725 N LYS A 217 -7.599 -0.091 0.620 1.00 71.23 N ATOM 726 CA LYS A 217 -8.894 0.501 0.960 1.00 24.12 C ATOM 727 C LYS A 217 -10.049 -0.458 0.648 1.00 41.53 C ATOM 728 O LYS A 217 -11.083 -0.057 0.108 1.00 65.12 O ATOM 729 CB LYS A 217 -9.012 1.870 0.252 1.00 63.53 C ATOM 730 CG LYS A 217 -9.916 2.786 1.079 1.00 33.31 C ATOM 731 CD LYS A 217 -10.117 4.169 0.447 1.00 21.23 C ATOM 732 CE LYS A 217 -10.941 5.092 1.360 1.00 11.23 C ATOM 733 NZ LYS A 217 -12.259 4.522 1.717 1.00 34.23 N1+ ATOM 0 H LYS A 217 -7.648 -0.788 -0.123 1.00 71.23 H new ATOM 0 HA LYS A 217 -8.960 0.674 2.034 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -8.026 2.320 0.137 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -9.423 1.741 -0.749 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -10.887 2.308 1.207 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -9.487 2.907 2.074 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -9.147 4.624 0.249 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -10.621 4.061 -0.513 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -10.377 5.290 2.272 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -11.088 6.050 0.862 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -12.823 5.238 2.218 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -12.758 4.232 0.852 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -12.124 3.695 2.333 1.00 34.23 H new ATOM 747 N CYS A 218 -9.882 -1.745 0.945 1.00 72.34 N ATOM 748 CA CYS A 218 -10.873 -2.773 0.695 1.00 52.25 C ATOM 749 C CYS A 218 -12.134 -2.602 1.566 1.00 53.24 C ATOM 750 O CYS A 218 -12.106 -1.894 2.577 1.00 3.44 O ATOM 751 CB CYS A 218 -10.201 -4.124 0.945 1.00 41.44 C ATOM 752 SG CYS A 218 -9.481 -4.705 -0.610 1.00 24.22 S ATOM 0 H CYS A 218 -9.030 -2.104 1.377 1.00 72.34 H new ATOM 0 HA CYS A 218 -11.222 -2.701 -0.335 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -9.428 -4.027 1.707 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -10.928 -4.845 1.318 1.00 41.44 H new ATOM 0 HG CYS A 218 -8.876 -5.838 -0.411 1.00 24.22 H new ATOM 758 N PRO A 219 -13.256 -3.251 1.200 1.00 2.24 N ATOM 759 CA PRO A 219 -14.511 -3.212 1.940 1.00 23.03 C ATOM 760 C PRO A 219 -14.609 -4.336 2.976 1.00 53.55 C ATOM 761 O PRO A 219 -15.325 -4.179 3.968 1.00 51.44 O ATOM 762 CB PRO A 219 -15.583 -3.379 0.864 1.00 13.32 C ATOM 763 CG PRO A 219 -14.934 -4.361 -0.100 1.00 34.20 C ATOM 764 CD PRO A 219 -13.461 -3.953 -0.056 1.00 63.34 C ATOM 0 HA PRO A 219 -14.613 -2.288 2.509 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -16.513 -3.770 1.276 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -15.822 -2.432 0.379 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -15.077 -5.394 0.217 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.348 -4.275 -1.105 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -12.815 -4.829 -0.119 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -13.212 -3.312 -0.902 1.00 63.34 H new ATOM 772 N PHE A 220 -13.920 -5.469 2.772 1.00 52.33 N ATOM 773 CA PHE A 220 -13.798 -6.478 3.800 1.00 13.33 C ATOM 774 C PHE A 220 -13.022 -5.860 4.978 1.00 31.11 C ATOM 775 O PHE A 220 -12.151 -5.008 4.759 1.00 61.21 O ATOM 776 CB PHE A 220 -13.151 -7.764 3.250 1.00 12.53 C ATOM 777 CG PHE A 220 -14.101 -8.743 2.578 1.00 53.04 C ATOM 778 CD1 PHE A 220 -15.275 -9.171 3.238 1.00 43.24 C ATOM 779 CD2 PHE A 220 -13.764 -9.316 1.337 1.00 11.32 C ATOM 780 CE1 PHE A 220 -16.106 -10.145 2.657 1.00 24.41 C ATOM 781 CE2 PHE A 220 -14.590 -10.299 0.764 1.00 35.04 C ATOM 782 CZ PHE A 220 -15.763 -10.712 1.419 1.00 24.35 C ATOM 0 H PHE A 220 -13.444 -5.697 1.899 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.781 -6.788 4.155 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.380 -7.483 2.532 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.650 -8.277 4.071 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.536 -8.747 4.196 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -12.868 -8.999 0.823 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -17.008 -10.457 3.163 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -14.322 -10.739 -0.185 1.00 35.04 H new ATOM 0 HZ PHE A 220 -16.398 -11.462 0.972 1.00 24.35 H new ATOM 792 N PRO A 221 -13.374 -6.240 6.214 1.00 52.42 N ATOM 793 CA PRO A 221 -13.024 -5.512 7.425 1.00 64.02 C ATOM 794 C PRO A 221 -11.522 -5.491 7.735 1.00 52.52 C ATOM 795 O PRO A 221 -10.742 -6.274 7.185 1.00 61.24 O ATOM 796 CB PRO A 221 -13.828 -6.180 8.545 1.00 3.32 C ATOM 797 CG PRO A 221 -14.294 -7.524 7.991 1.00 31.34 C ATOM 798 CD PRO A 221 -14.357 -7.268 6.496 1.00 13.23 C ATOM 0 HA PRO A 221 -13.269 -4.456 7.309 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.215 -6.318 9.436 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.678 -5.563 8.835 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -13.597 -8.326 8.235 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -15.265 -7.813 8.393 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.139 -8.178 5.937 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.354 -6.943 6.199 1.00 13.23 H new ATOM 806 N ALA A 222 -11.125 -4.602 8.646 1.00 15.10 N ATOM 807 CA ALA A 222 -9.770 -4.492 9.158 1.00 33.50 C ATOM 808 C ALA A 222 -9.449 -5.755 9.949 1.00 45.31 C ATOM 809 O ALA A 222 -10.082 -6.014 10.973 1.00 5.14 O ATOM 810 CB ALA A 222 -9.635 -3.243 10.035 1.00 54.51 C ATOM 0 H ALA A 222 -11.762 -3.920 9.057 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.063 -4.393 8.334 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.615 -3.172 10.413 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.866 -2.357 9.444 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.328 -3.310 10.873 1.00 54.51 H new ATOM 816 N GLY A 223 -8.493 -6.535 9.453 1.00 72.54 N ATOM 817 CA GLY A 223 -8.043 -7.785 10.044 1.00 54.34 C ATOM 818 C GLY A 223 -8.488 -9.006 9.247 1.00 13.20 C ATOM 819 O GLY A 223 -7.981 -10.098 9.501 1.00 13.51 O ATOM 0 H GLY A 223 -7.993 -6.302 8.595 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.955 -7.778 10.114 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.427 -7.860 11.061 1.00 54.34 H new ATOM 823 N SER A 224 -9.402 -8.856 8.285 1.00 12.10 N ATOM 824 CA SER A 224 -9.801 -9.963 7.430 1.00 32.34 C ATOM 825 C SER A 224 -8.675 -10.250 6.436 1.00 62.33 C ATOM 826 O SER A 224 -8.211 -9.345 5.735 1.00 52.54 O ATOM 827 CB SER A 224 -11.135 -9.647 6.745 1.00 2.20 C ATOM 828 OG SER A 224 -11.063 -8.536 5.877 1.00 61.34 O ATOM 0 H SER A 224 -9.877 -7.976 8.083 1.00 12.10 H new ATOM 0 HA SER A 224 -9.963 -10.865 8.019 1.00 32.34 H new ATOM 0 HB2 SER A 224 -11.463 -10.520 6.181 1.00 2.20 H new ATOM 0 HB3 SER A 224 -11.891 -9.457 7.506 1.00 2.20 H new ATOM 0 HG SER A 224 -10.711 -7.762 6.365 1.00 61.34 H new ATOM 834 N ASP A 225 -8.219 -11.497 6.332 1.00 61.25 N ATOM 835 CA ASP A 225 -7.193 -11.823 5.335 1.00 53.22 C ATOM 836 C ASP A 225 -7.797 -11.789 3.935 1.00 11.51 C ATOM 837 O ASP A 225 -7.080 -11.688 2.941 1.00 20.21 O ATOM 838 CB ASP A 225 -6.537 -13.180 5.605 1.00 65.42 C ATOM 839 CG ASP A 225 -5.432 -13.025 6.646 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.435 -12.331 6.348 1.00 40.32 O ATOM 841 OD2 ASP A 225 -5.594 -13.558 7.767 1.00 54.24 O1- ATOM 0 H ASP A 225 -8.531 -12.280 6.906 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.409 -11.069 5.408 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -7.284 -13.891 5.958 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -6.124 -13.584 4.681 1.00 65.42 H new ATOM 846 N LEU A 226 -9.127 -11.853 3.834 1.00 65.13 N ATOM 847 CA LEU A 226 -9.869 -11.766 2.606 1.00 13.44 C ATOM 848 C LEU A 226 -9.668 -10.407 1.938 1.00 72.23 C ATOM 849 O LEU A 226 -9.594 -10.368 0.713 1.00 44.25 O ATOM 850 CB LEU A 226 -11.346 -12.016 2.926 1.00 21.33 C ATOM 851 CG LEU A 226 -11.661 -13.328 3.678 1.00 42.04 C ATOM 852 CD1 LEU A 226 -11.017 -14.565 3.032 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.420 -13.336 5.193 1.00 31.03 C ATOM 0 H LEU A 226 -9.728 -11.972 4.650 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.512 -12.517 1.901 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.715 -11.181 3.522 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.906 -12.013 1.991 1.00 21.33 H new ATOM 0 HG LEU A 226 -12.744 -13.383 3.566 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -11.277 -15.453 3.608 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -11.383 -14.675 2.011 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -9.934 -14.446 3.018 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -11.680 -14.314 5.598 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -10.370 -13.127 5.395 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -12.039 -12.572 5.664 1.00 31.03 H new ATOM 865 N ALA A 227 -9.538 -9.320 2.712 1.00 33.13 N ATOM 866 CA ALA A 227 -9.216 -7.998 2.185 1.00 31.51 C ATOM 867 C ALA A 227 -7.884 -8.060 1.432 1.00 61.32 C ATOM 868 O ALA A 227 -7.836 -7.803 0.227 1.00 1.22 O ATOM 869 CB ALA A 227 -9.181 -6.975 3.332 1.00 20.11 C ATOM 0 H ALA A 227 -9.655 -9.340 3.725 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.984 -7.677 1.481 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.940 -5.990 2.933 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.155 -6.941 3.819 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.422 -7.268 4.058 1.00 20.11 H new ATOM 875 N GLN A 228 -6.826 -8.476 2.139 1.00 2.11 N ATOM 876 CA GLN A 228 -5.470 -8.600 1.616 1.00 62.54 C ATOM 877 C GLN A 228 -5.484 -9.445 0.339 1.00 60.13 C ATOM 878 O GLN A 228 -5.011 -9.023 -0.716 1.00 43.54 O ATOM 879 CB GLN A 228 -4.535 -9.217 2.683 1.00 74.33 C ATOM 880 CG GLN A 228 -4.497 -8.509 4.051 1.00 13.33 C ATOM 881 CD GLN A 228 -3.769 -7.168 4.013 1.00 64.54 C ATOM 882 OE1 GLN A 228 -4.185 -6.242 3.322 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.670 -7.019 4.730 1.00 5.01 N ATOM 0 H GLN A 228 -6.898 -8.743 3.121 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.087 -7.609 1.371 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.835 -10.253 2.842 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.522 -9.237 2.280 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -5.518 -8.351 4.400 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -4.009 -9.160 4.776 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -2.327 -7.790 5.303 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.165 -6.133 4.711 1.00 5.01 H new ATOM 892 N LYS A 229 -6.050 -10.651 0.433 1.00 14.24 N ATOM 893 CA LYS A 229 -6.036 -11.620 -0.652 1.00 61.11 C ATOM 894 C LYS A 229 -6.863 -11.163 -1.851 1.00 50.14 C ATOM 895 O LYS A 229 -6.547 -11.598 -2.954 1.00 20.33 O ATOM 896 CB LYS A 229 -6.516 -12.982 -0.130 1.00 43.15 C ATOM 897 CG LYS A 229 -5.472 -13.604 0.818 1.00 65.30 C ATOM 898 CD LYS A 229 -5.998 -14.832 1.568 1.00 2.11 C ATOM 899 CE LYS A 229 -6.281 -15.993 0.606 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.678 -17.223 1.328 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.532 -10.979 1.270 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.010 -11.713 -1.009 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.464 -12.862 0.394 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.698 -13.654 -0.969 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.591 -13.887 0.243 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.153 -12.853 1.541 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -5.268 -15.145 2.315 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -6.910 -14.570 2.104 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -7.073 -15.706 -0.086 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.392 -16.194 0.008 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -6.860 -17.984 0.643 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.912 -17.511 1.970 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -7.541 -17.039 1.879 1.00 4.21 H new ATOM 914 N TRP A 230 -7.906 -10.345 -1.673 1.00 13.20 N ATOM 915 CA TRP A 230 -8.647 -9.828 -2.815 1.00 72.33 C ATOM 916 C TRP A 230 -7.820 -8.756 -3.514 1.00 31.00 C ATOM 917 O TRP A 230 -7.663 -8.823 -4.733 1.00 23.12 O ATOM 918 CB TRP A 230 -10.022 -9.287 -2.407 1.00 34.15 C ATOM 919 CG TRP A 230 -10.996 -9.146 -3.536 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.748 -10.144 -4.052 1.00 14.12 C ATOM 921 CD2 TRP A 230 -11.322 -7.959 -4.316 1.00 53.24 C ATOM 922 NE1 TRP A 230 -12.565 -9.639 -5.045 1.00 24.03 N ATOM 923 CE2 TRP A 230 -12.364 -8.288 -5.230 1.00 13.24 C ATOM 924 CE3 TRP A 230 -10.849 -6.634 -4.332 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -12.964 -7.327 -6.060 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -11.411 -5.668 -5.187 1.00 33.44 C ATOM 927 CH2 TRP A 230 -12.494 -6.003 -6.019 1.00 4.35 C ATOM 0 H TRP A 230 -8.247 -10.034 -0.763 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.828 -10.650 -3.508 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.450 -9.950 -1.655 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.890 -8.314 -1.935 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.715 -11.176 -3.737 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -13.234 -10.197 -5.576 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -10.039 -6.353 -3.675 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -13.774 -7.601 -6.720 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -11.009 -4.666 -5.204 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -12.964 -5.244 -6.626 1.00 4.35 H new ATOM 938 N HIS A 231 -7.297 -7.774 -2.766 1.00 41.52 N ATOM 939 CA HIS A 231 -6.607 -6.641 -3.375 1.00 44.11 C ATOM 940 C HIS A 231 -5.395 -7.124 -4.169 1.00 62.42 C ATOM 941 O HIS A 231 -5.154 -6.594 -5.253 1.00 2.10 O ATOM 942 CB HIS A 231 -6.302 -5.534 -2.352 1.00 73.30 C ATOM 943 CG HIS A 231 -4.935 -5.545 -1.732 1.00 1.23 C ATOM 944 ND1 HIS A 231 -4.630 -5.633 -0.392 1.00 54.43 N ATOM 945 CD2 HIS A 231 -3.787 -5.264 -2.416 1.00 54.44 C ATOM 946 CE1 HIS A 231 -3.298 -5.474 -0.281 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.742 -5.252 -1.487 1.00 72.12 N ATOM 0 H HIS A 231 -7.341 -7.746 -1.747 1.00 41.52 H new ATOM 0 HA HIS A 231 -7.272 -6.164 -4.095 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -6.446 -4.570 -2.841 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -7.039 -5.598 -1.551 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -3.702 -5.084 -3.478 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -2.750 -5.518 0.649 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -1.752 -5.104 -1.684 1.00 72.12 H new ATOM 955 N LEU A 232 -4.695 -8.148 -3.666 1.00 43.21 N ATOM 956 CA LEU A 232 -3.527 -8.787 -4.272 1.00 54.14 C ATOM 957 C LEU A 232 -3.792 -9.292 -5.694 1.00 63.01 C ATOM 958 O LEU A 232 -2.875 -9.324 -6.510 1.00 33.14 O ATOM 959 CB LEU A 232 -3.083 -9.918 -3.324 1.00 63.34 C ATOM 960 CG LEU A 232 -1.893 -10.777 -3.803 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.088 -11.262 -2.588 1.00 23.25 C ATOM 962 CD2 LEU A 232 -2.342 -12.029 -4.579 1.00 64.32 C ATOM 0 H LEU A 232 -4.945 -8.575 -2.774 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.728 -8.055 -4.390 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.823 -9.477 -2.362 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.935 -10.576 -3.153 1.00 63.34 H new ATOM 0 HG LEU A 232 -1.299 -10.145 -4.463 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.248 -11.868 -2.927 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.714 -10.402 -2.032 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.730 -11.860 -1.941 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -1.466 -12.597 -4.892 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.966 -12.650 -3.937 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.912 -11.727 -5.458 1.00 64.32 H new ATOM 974 N ILE A 233 -5.025 -9.695 -6.007 1.00 20.31 N ATOM 975 CA ILE A 233 -5.390 -10.263 -7.309 1.00 12.23 C ATOM 976 C ILE A 233 -5.620 -9.134 -8.341 1.00 33.40 C ATOM 977 O ILE A 233 -5.864 -9.397 -9.520 1.00 73.01 O ATOM 978 CB ILE A 233 -6.581 -11.247 -7.095 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.104 -12.435 -6.217 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.180 -11.808 -8.400 1.00 11.11 C ATOM 981 CD1 ILE A 233 -7.224 -13.346 -5.695 1.00 1.50 C ATOM 0 H ILE A 233 -5.808 -9.636 -5.357 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.584 -10.854 -7.744 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.370 -10.671 -6.612 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -5.406 -13.039 -6.797 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -5.552 -12.039 -5.365 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -8.002 -12.483 -8.162 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.551 -10.986 -9.013 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.411 -12.352 -8.949 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -6.792 -14.145 -5.093 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.912 -12.763 -5.083 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -7.764 -13.778 -6.538 1.00 1.50 H new ATOM 993 N LYS A 234 -5.525 -7.862 -7.943 1.00 35.12 N ATOM 994 CA LYS A 234 -5.699 -6.700 -8.810 1.00 65.43 C ATOM 995 C LYS A 234 -4.548 -5.719 -8.561 1.00 71.04 C ATOM 996 O LYS A 234 -3.713 -5.927 -7.690 1.00 11.24 O ATOM 997 CB LYS A 234 -7.076 -6.077 -8.522 1.00 41.01 C ATOM 998 CG LYS A 234 -8.261 -6.803 -9.186 1.00 40.11 C ATOM 999 CD LYS A 234 -8.952 -5.938 -10.248 1.00 52.01 C ATOM 1000 CE LYS A 234 -8.120 -5.776 -11.529 1.00 24.13 C ATOM 1001 NZ LYS A 234 -8.707 -4.748 -12.419 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.318 -7.608 -6.977 1.00 35.12 H new ATOM 0 HA LYS A 234 -5.671 -6.978 -9.864 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -7.235 -6.062 -7.444 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -7.068 -5.040 -8.858 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -7.907 -7.726 -9.646 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -8.986 -7.085 -8.422 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -9.914 -6.384 -10.501 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -9.157 -4.953 -9.828 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -7.099 -5.497 -11.270 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -8.067 -6.729 -12.055 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -8.126 -4.659 -13.277 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -9.673 -5.028 -12.683 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -8.735 -3.834 -11.923 1.00 64.53 H new ATOM 1015 N GLN A 235 -4.496 -4.645 -9.350 1.00 72.02 N ATOM 1016 CA GLN A 235 -3.563 -3.542 -9.150 1.00 11.35 C ATOM 1017 C GLN A 235 -4.207 -2.263 -9.642 1.00 33.24 C ATOM 1018 O GLN A 235 -4.451 -1.339 -8.877 1.00 30.21 O ATOM 1019 CB GLN A 235 -2.300 -3.789 -9.994 1.00 22.32 C ATOM 1020 CG GLN A 235 -1.162 -4.509 -9.256 1.00 50.13 C ATOM 1021 CD GLN A 235 0.040 -4.770 -10.161 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -0.060 -4.723 -11.382 1.00 23.03 O ATOM 1023 NE2 GLN A 235 1.201 -5.040 -9.586 1.00 43.20 N ATOM 0 H GLN A 235 -5.109 -4.518 -10.155 1.00 72.02 H new ATOM 0 HA GLN A 235 -3.307 -3.467 -8.093 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -2.575 -4.377 -10.870 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -1.929 -2.830 -10.357 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -0.848 -3.908 -8.402 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -1.530 -5.456 -8.861 1.00 50.13 H new ATOM 0 HE21 GLN A 235 1.270 -5.076 -8.569 1.00 43.20 H new ATOM 0 HE22 GLN A 235 2.027 -5.212 -10.160 1.00 43.20 H new