USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 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= -0.133 X(o=-0.13,f=-0.47) USER MOD Single : A 182 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 184 THR OG1 : rot -27:sc= 0.18 USER MOD Single : A 214 MET CE :methyl -166:sc= -0.443 (180deg=-0.76) USER MOD Single : A 217 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0041) USER MOD Single : A 218 CYS SG : rot -54:sc= 0.512 USER MOD Single : A 224 SER OG : rot 44:sc= 0.312 USER MOD Single : A 228 GLN : amide:sc= -0.0759 K(o=-0.076,f=-0.69) USER MOD Single : A 229 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.19) USER MOD Single : A 231 HIS : no HE2:sc= -0.016 K(o=-0.016,f=-0.6) USER MOD Single : A 234 LYS NZ :NH3+ -167:sc= 1.97 (180deg=1.76) USER MOD Single : A 235 GLN : amide:sc= -0.359 K(o=-0.36,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 11.858 -55.731 -30.080 1.00 42.40 N ATOM 37 CA LEU A 177 10.759 -54.927 -29.552 1.00 14.14 C ATOM 38 C LEU A 177 11.314 -53.576 -29.077 1.00 25.25 C ATOM 39 O LEU A 177 12.529 -53.387 -29.062 1.00 72.32 O ATOM 40 CB LEU A 177 10.011 -55.656 -28.409 1.00 62.05 C ATOM 41 CG LEU A 177 10.766 -55.843 -27.069 1.00 74.24 C ATOM 42 CD1 LEU A 177 9.763 -56.254 -25.985 1.00 32.31 C ATOM 43 CD2 LEU A 177 11.865 -56.913 -27.141 1.00 21.13 C ATOM 0 HA LEU A 177 10.030 -54.763 -30.345 1.00 14.14 H new ATOM 0 HB2 LEU A 177 9.092 -55.107 -28.204 1.00 62.05 H new ATOM 0 HB3 LEU A 177 9.720 -56.642 -28.772 1.00 62.05 H new ATOM 0 HG LEU A 177 11.246 -54.892 -26.838 1.00 74.24 H new ATOM 0 HD11 LEU A 177 10.285 -56.388 -25.038 1.00 32.31 H new ATOM 0 HD12 LEU A 177 9.007 -55.477 -25.875 1.00 32.31 H new ATOM 0 HD13 LEU A 177 9.283 -57.190 -26.270 1.00 32.31 H new ATOM 0 HD21 LEU A 177 12.356 -56.996 -26.171 1.00 21.13 H new ATOM 0 HD22 LEU A 177 11.422 -57.873 -27.406 1.00 21.13 H new ATOM 0 HD23 LEU A 177 12.599 -56.631 -27.896 1.00 21.13 H new ATOM 55 N ARG A 178 10.419 -52.686 -28.633 1.00 24.30 N ATOM 56 CA ARG A 178 10.689 -51.435 -27.918 1.00 3.45 C ATOM 57 C ARG A 178 11.819 -50.596 -28.528 1.00 25.42 C ATOM 58 O ARG A 178 12.861 -50.373 -27.906 1.00 34.30 O ATOM 59 CB ARG A 178 10.869 -51.725 -26.417 1.00 73.44 C ATOM 60 CG ARG A 178 10.673 -50.458 -25.567 1.00 23.23 C ATOM 61 CD ARG A 178 11.112 -50.675 -24.116 1.00 61.32 C ATOM 62 NE ARG A 178 10.285 -51.665 -23.409 1.00 43.12 N ATOM 63 CZ ARG A 178 10.545 -52.206 -22.214 1.00 4.41 C ATOM 64 NH1 ARG A 178 11.642 -51.868 -21.543 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 9.693 -53.084 -21.697 1.00 63.23 N ATOM 0 H ARG A 178 9.419 -52.831 -28.774 1.00 24.30 H new ATOM 0 HA ARG A 178 9.817 -50.791 -28.035 1.00 3.45 H new ATOM 0 HB2 ARG A 178 10.155 -52.487 -26.105 1.00 73.44 H new ATOM 0 HB3 ARG A 178 11.865 -52.131 -26.241 1.00 73.44 H new ATOM 0 HG2 ARG A 178 11.244 -49.637 -26.001 1.00 23.23 H new ATOM 0 HG3 ARG A 178 9.624 -50.164 -25.589 1.00 23.23 H new ATOM 0 HD2 ARG A 178 12.152 -51.001 -24.101 1.00 61.32 H new ATOM 0 HD3 ARG A 178 11.068 -49.725 -23.583 1.00 61.32 H new ATOM 0 HE ARG A 178 9.430 -51.968 -23.876 1.00 43.12 H new ATOM 0 HH11 ARG A 178 12.294 -51.191 -21.939 1.00 33.23 H new ATOM 0 HH12 ARG A 178 11.832 -52.286 -20.632 1.00 33.23 H new ATOM 0 HH21 ARG A 178 8.850 -53.340 -22.211 1.00 63.23 H new ATOM 0 HH22 ARG A 178 9.882 -53.503 -20.786 1.00 63.23 H new ATOM 79 N GLN A 179 11.577 -50.075 -29.731 1.00 24.00 N ATOM 80 CA GLN A 179 12.393 -49.007 -30.300 1.00 3.32 C ATOM 81 C GLN A 179 12.249 -47.773 -29.388 1.00 35.51 C ATOM 82 O GLN A 179 11.155 -47.507 -28.890 1.00 2.32 O ATOM 83 CB GLN A 179 11.900 -48.718 -31.740 1.00 52.52 C ATOM 84 CG GLN A 179 12.972 -48.219 -32.726 1.00 55.30 C ATOM 85 CD GLN A 179 13.683 -46.948 -32.269 1.00 71.53 C ATOM 86 OE1 GLN A 179 13.075 -45.897 -32.090 1.00 14.25 O ATOM 87 NE2 GLN A 179 14.975 -47.042 -31.991 1.00 3.14 N ATOM 0 H GLN A 179 10.813 -50.381 -30.334 1.00 24.00 H new ATOM 0 HA GLN A 179 13.446 -49.284 -30.357 1.00 3.32 H new ATOM 0 HB2 GLN A 179 11.459 -49.630 -32.143 1.00 52.52 H new ATOM 0 HB3 GLN A 179 11.105 -47.974 -31.690 1.00 52.52 H new ATOM 0 HG2 GLN A 179 13.712 -49.006 -32.873 1.00 55.30 H new ATOM 0 HG3 GLN A 179 12.505 -48.036 -33.694 1.00 55.30 H new ATOM 0 HE21 GLN A 179 15.467 -47.922 -32.145 1.00 3.14 H new ATOM 0 HE22 GLN A 179 15.478 -46.234 -31.623 1.00 3.14 H new ATOM 96 N ARG A 180 13.323 -47.004 -29.189 1.00 65.05 N ATOM 97 CA ARG A 180 13.255 -45.588 -28.829 1.00 64.25 C ATOM 98 C ARG A 180 14.522 -44.900 -29.337 1.00 43.03 C ATOM 99 O ARG A 180 15.520 -45.581 -29.593 1.00 61.12 O ATOM 100 CB ARG A 180 13.062 -45.367 -27.316 1.00 54.40 C ATOM 101 CG ARG A 180 14.092 -46.054 -26.407 1.00 40.31 C ATOM 102 CD ARG A 180 13.599 -47.417 -25.899 1.00 25.33 C ATOM 103 NE ARG A 180 14.577 -48.035 -24.988 1.00 63.12 N ATOM 104 CZ ARG A 180 14.822 -47.657 -23.724 1.00 4.44 C ATOM 105 NH1 ARG A 180 14.105 -46.713 -23.127 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 15.804 -48.234 -23.040 1.00 74.54 N ATOM 0 H ARG A 180 14.277 -47.354 -29.275 1.00 65.05 H new ATOM 0 HA ARG A 180 12.376 -45.149 -29.301 1.00 64.25 H new ATOM 0 HB2 ARG A 180 13.087 -44.295 -27.118 1.00 54.40 H new ATOM 0 HB3 ARG A 180 12.068 -45.719 -27.040 1.00 54.40 H new ATOM 0 HG2 ARG A 180 15.025 -46.188 -26.954 1.00 40.31 H new ATOM 0 HG3 ARG A 180 14.311 -45.409 -25.556 1.00 40.31 H new ATOM 0 HD2 ARG A 180 12.647 -47.292 -25.383 1.00 25.33 H new ATOM 0 HD3 ARG A 180 13.419 -48.079 -26.746 1.00 25.33 H new ATOM 0 HE ARG A 180 15.117 -48.821 -25.350 1.00 63.12 H new ATOM 0 HH11 ARG A 180 13.345 -46.255 -23.630 1.00 33.41 H new ATOM 0 HH12 ARG A 180 14.314 -46.446 -22.165 1.00 33.41 H new ATOM 0 HH21 ARG A 180 16.370 -48.962 -23.476 1.00 74.54 H new ATOM 0 HH22 ARG A 180 15.992 -47.949 -22.079 1.00 74.54 H new ATOM 120 N LEU A 181 14.518 -43.572 -29.444 1.00 42.44 N ATOM 121 CA LEU A 181 15.700 -42.759 -29.713 1.00 73.23 C ATOM 122 C LEU A 181 15.517 -41.404 -29.027 1.00 71.21 C ATOM 123 O LEU A 181 14.379 -40.966 -28.845 1.00 74.14 O ATOM 124 CB LEU A 181 15.869 -42.571 -31.232 1.00 33.22 C ATOM 125 CG LEU A 181 17.307 -42.167 -31.615 1.00 33.35 C ATOM 126 CD1 LEU A 181 18.205 -43.404 -31.739 1.00 5.21 C ATOM 127 CD2 LEU A 181 17.303 -41.380 -32.925 1.00 70.12 C ATOM 0 H LEU A 181 13.668 -43.018 -29.343 1.00 42.44 H new ATOM 0 HA LEU A 181 16.593 -43.250 -29.328 1.00 73.23 H new ATOM 0 HB2 LEU A 181 15.606 -43.498 -31.742 1.00 33.22 H new ATOM 0 HB3 LEU A 181 15.174 -41.807 -31.581 1.00 33.22 H new ATOM 0 HG LEU A 181 17.708 -41.532 -30.825 1.00 33.35 H new ATOM 0 HD11 LEU A 181 19.215 -43.095 -32.010 1.00 5.21 H new ATOM 0 HD12 LEU A 181 18.231 -43.932 -30.786 1.00 5.21 H new ATOM 0 HD13 LEU A 181 17.809 -44.065 -32.510 1.00 5.21 H new ATOM 0 HD21 LEU A 181 18.324 -41.100 -33.185 1.00 70.12 H new ATOM 0 HD22 LEU A 181 16.883 -41.997 -33.719 1.00 70.12 H new ATOM 0 HD23 LEU A 181 16.699 -40.480 -32.807 1.00 70.12 H new ATOM 139 N GLN A 182 16.600 -40.723 -28.665 1.00 62.31 N ATOM 140 CA GLN A 182 16.618 -39.381 -28.091 1.00 40.10 C ATOM 141 C GLN A 182 17.977 -38.746 -28.431 1.00 63.11 C ATOM 142 O GLN A 182 18.710 -39.301 -29.247 1.00 12.30 O ATOM 143 CB GLN A 182 16.320 -39.466 -26.569 1.00 72.53 C ATOM 144 CG GLN A 182 14.922 -38.941 -26.181 1.00 23.40 C ATOM 145 CD GLN A 182 14.080 -39.976 -25.426 1.00 41.05 C ATOM 146 OE1 GLN A 182 13.957 -39.937 -24.205 1.00 54.13 O ATOM 147 NE2 GLN A 182 13.466 -40.914 -26.130 1.00 22.23 N ATOM 0 H GLN A 182 17.537 -41.112 -28.769 1.00 62.31 H new ATOM 0 HA GLN A 182 15.842 -38.740 -28.509 1.00 40.10 H new ATOM 0 HB2 GLN A 182 16.411 -40.503 -26.247 1.00 72.53 H new ATOM 0 HB3 GLN A 182 17.075 -38.897 -26.027 1.00 72.53 H new ATOM 0 HG2 GLN A 182 15.034 -38.051 -25.562 1.00 23.40 H new ATOM 0 HG3 GLN A 182 14.391 -38.638 -27.083 1.00 23.40 H new ATOM 0 HE21 GLN A 182 13.572 -40.942 -27.144 1.00 22.23 H new ATOM 0 HE22 GLN A 182 12.887 -41.609 -25.658 1.00 22.23 H new ATOM 156 N ASP A 183 18.293 -37.582 -27.846 1.00 20.03 N ATOM 157 CA ASP A 183 19.564 -36.855 -27.941 1.00 43.12 C ATOM 158 C ASP A 183 19.941 -36.448 -29.379 1.00 32.23 C ATOM 159 O ASP A 183 21.100 -36.219 -29.725 1.00 34.24 O ATOM 160 CB ASP A 183 20.626 -37.671 -27.212 1.00 20.31 C ATOM 161 CG ASP A 183 21.904 -36.921 -26.834 1.00 12.13 C ATOM 162 OD1 ASP A 183 21.899 -35.666 -26.779 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 22.844 -37.590 -26.367 1.00 22.45 O ATOM 0 H ASP A 183 17.622 -37.092 -27.255 1.00 20.03 H new ATOM 0 HA ASP A 183 19.469 -35.887 -27.448 1.00 43.12 H new ATOM 0 HB2 ASP A 183 20.183 -38.076 -26.302 1.00 20.31 H new ATOM 0 HB3 ASP A 183 20.898 -38.520 -27.840 1.00 20.31 H new ATOM 168 N THR A 184 18.926 -36.352 -30.229 1.00 51.30 N ATOM 169 CA THR A 184 18.989 -36.108 -31.663 1.00 22.11 C ATOM 170 C THR A 184 18.430 -34.721 -32.011 1.00 53.13 C ATOM 171 O THR A 184 18.505 -34.308 -33.171 1.00 71.31 O ATOM 172 CB THR A 184 18.233 -37.261 -32.364 1.00 3.31 C ATOM 173 OG1 THR A 184 18.179 -37.098 -33.770 1.00 25.41 O ATOM 174 CG2 THR A 184 16.789 -37.436 -31.859 1.00 51.10 C ATOM 0 H THR A 184 17.963 -36.451 -29.907 1.00 51.30 H new ATOM 0 HA THR A 184 20.021 -36.097 -32.014 1.00 22.11 H new ATOM 0 HB THR A 184 18.812 -38.149 -32.113 1.00 3.31 H new ATOM 0 HG1 THR A 184 18.235 -36.145 -33.991 1.00 25.41 H new ATOM 0 HG21 THR A 184 16.315 -38.261 -32.391 1.00 51.10 H new ATOM 0 HG22 THR A 184 16.801 -37.652 -30.791 1.00 51.10 H new ATOM 0 HG23 THR A 184 16.228 -36.519 -32.037 1.00 51.10 H new ATOM 182 N VAL A 185 17.855 -34.005 -31.043 1.00 43.51 N ATOM 183 CA VAL A 185 17.028 -32.823 -31.289 1.00 73.04 C ATOM 184 C VAL A 185 17.913 -31.580 -31.142 1.00 11.42 C ATOM 185 O VAL A 185 17.659 -30.673 -30.351 1.00 54.52 O ATOM 186 CB VAL A 185 15.789 -32.857 -30.372 1.00 23.54 C ATOM 187 CG1 VAL A 185 14.729 -31.842 -30.809 1.00 72.43 C ATOM 188 CG2 VAL A 185 15.109 -34.243 -30.369 1.00 23.12 C ATOM 0 H VAL A 185 17.952 -34.233 -30.054 1.00 43.51 H new ATOM 0 HA VAL A 185 16.628 -32.801 -32.303 1.00 73.04 H new ATOM 0 HB VAL A 185 16.162 -32.616 -29.377 1.00 23.54 H new ATOM 0 HG11 VAL A 185 13.873 -31.898 -30.137 1.00 72.43 H new ATOM 0 HG12 VAL A 185 15.151 -30.838 -30.776 1.00 72.43 H new ATOM 0 HG13 VAL A 185 14.408 -32.067 -31.826 1.00 72.43 H new ATOM 0 HG21 VAL A 185 14.241 -34.221 -29.710 1.00 23.12 H new ATOM 0 HG22 VAL A 185 14.790 -34.494 -31.381 1.00 23.12 H new ATOM 0 HG23 VAL A 185 15.815 -34.994 -30.014 1.00 23.12 H new ATOM 198 N GLY A 186 18.989 -31.576 -31.919 1.00 64.11 N ATOM 199 CA GLY A 186 20.094 -30.643 -31.877 1.00 14.24 C ATOM 200 C GLY A 186 21.296 -31.396 -32.414 1.00 62.45 C ATOM 201 O GLY A 186 21.828 -31.026 -33.460 1.00 21.23 O ATOM 0 H GLY A 186 19.115 -32.279 -32.647 1.00 64.11 H new ATOM 0 HA2 GLY A 186 19.884 -29.761 -32.482 1.00 14.24 H new ATOM 0 HA3 GLY A 186 20.273 -30.296 -30.859 1.00 14.24 H new ATOM 205 N LEU A 187 21.600 -32.536 -31.781 1.00 72.41 N ATOM 206 CA LEU A 187 22.667 -33.475 -32.127 1.00 12.03 C ATOM 207 C LEU A 187 24.040 -32.833 -31.920 1.00 61.21 C ATOM 208 O LEU A 187 24.180 -31.611 -31.880 1.00 12.43 O ATOM 209 CB LEU A 187 22.415 -34.096 -33.522 1.00 63.55 C ATOM 210 CG LEU A 187 23.374 -35.239 -33.916 1.00 32.34 C ATOM 211 CD1 LEU A 187 22.624 -36.354 -34.652 1.00 15.23 C ATOM 212 CD2 LEU A 187 24.506 -34.746 -34.830 1.00 11.21 C ATOM 0 H LEU A 187 21.073 -32.843 -30.964 1.00 72.41 H new ATOM 0 HA LEU A 187 22.660 -34.325 -31.445 1.00 12.03 H new ATOM 0 HB2 LEU A 187 21.393 -34.473 -33.555 1.00 63.55 H new ATOM 0 HB3 LEU A 187 22.488 -33.308 -34.271 1.00 63.55 H new ATOM 0 HG LEU A 187 23.798 -35.618 -32.986 1.00 32.34 H new ATOM 0 HD11 LEU A 187 23.322 -37.147 -34.919 1.00 15.23 H new ATOM 0 HD12 LEU A 187 21.846 -36.758 -34.004 1.00 15.23 H new ATOM 0 HD13 LEU A 187 22.170 -35.951 -35.557 1.00 15.23 H new ATOM 0 HD21 LEU A 187 25.158 -35.581 -35.084 1.00 11.21 H new ATOM 0 HD22 LEU A 187 24.081 -34.327 -35.742 1.00 11.21 H new ATOM 0 HD23 LEU A 187 25.083 -33.979 -34.313 1.00 11.21 H new ATOM 674 N MET A 214 -5.261 -1.747 -9.429 1.00 0.24 N ATOM 675 CA MET A 214 -5.601 -0.695 -8.495 1.00 32.05 C ATOM 676 C MET A 214 -6.707 -1.144 -7.548 1.00 23.33 C ATOM 677 O MET A 214 -7.624 -1.847 -7.979 1.00 53.34 O ATOM 678 CB MET A 214 -5.981 0.584 -9.252 1.00 13.22 C ATOM 679 CG MET A 214 -6.979 0.397 -10.417 1.00 41.51 C ATOM 680 SD MET A 214 -8.738 0.134 -10.042 1.00 21.51 S ATOM 681 CE MET A 214 -9.180 1.720 -9.284 1.00 63.42 C ATOM 0 HA MET A 214 -4.727 -0.473 -7.883 1.00 32.05 H new ATOM 0 HB2 MET A 214 -6.407 1.292 -8.542 1.00 13.22 H new ATOM 0 HB3 MET A 214 -5.071 1.036 -9.646 1.00 13.22 H new ATOM 0 HG2 MET A 214 -6.907 1.278 -11.055 1.00 41.51 H new ATOM 0 HG3 MET A 214 -6.638 -0.453 -11.008 1.00 41.51 H new ATOM 0 HE1 MET A 214 -10.143 1.627 -8.782 1.00 63.42 H new ATOM 0 HE2 MET A 214 -8.417 2.001 -8.558 1.00 63.42 H new ATOM 0 HE3 MET A 214 -9.246 2.486 -10.056 1.00 63.42 H new ATOM 691 N LEU A 215 -6.627 -0.752 -6.269 1.00 34.21 N ATOM 692 CA LEU A 215 -7.713 -0.944 -5.313 1.00 73.12 C ATOM 693 C LEU A 215 -8.967 -0.327 -5.883 1.00 63.53 C ATOM 694 O LEU A 215 -8.937 0.772 -6.422 1.00 4.22 O ATOM 695 CB LEU A 215 -7.387 -0.356 -3.927 1.00 11.32 C ATOM 696 CG LEU A 215 -8.595 -0.144 -2.973 1.00 5.51 C ATOM 697 CD1 LEU A 215 -8.165 -0.270 -1.507 1.00 20.01 C ATOM 698 CD2 LEU A 215 -9.287 1.224 -3.115 1.00 75.40 C ATOM 0 H LEU A 215 -5.806 -0.294 -5.874 1.00 34.21 H new ATOM 0 HA LEU A 215 -7.858 -2.013 -5.159 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -6.672 -1.015 -3.434 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -6.890 0.604 -4.070 1.00 11.32 H new ATOM 0 HG LEU A 215 -9.301 -0.922 -3.263 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -9.029 -0.117 -0.860 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -7.752 -1.264 -1.333 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -7.408 0.481 -1.284 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.118 1.286 -2.412 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -8.571 2.018 -2.901 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -9.662 1.338 -4.132 1.00 75.40 H new ATOM 710 N GLU A 216 -10.076 -1.032 -5.706 1.00 42.34 N ATOM 711 CA GLU A 216 -11.326 -0.686 -6.358 1.00 21.22 C ATOM 712 C GLU A 216 -12.534 -0.740 -5.421 1.00 61.20 C ATOM 713 O GLU A 216 -13.625 -0.306 -5.782 1.00 11.33 O ATOM 714 CB GLU A 216 -11.403 -1.570 -7.619 1.00 25.21 C ATOM 715 CG GLU A 216 -12.799 -1.863 -8.163 1.00 54.02 C ATOM 716 CD GLU A 216 -12.754 -2.344 -9.612 1.00 1.13 C ATOM 717 OE1 GLU A 216 -11.996 -3.291 -9.932 1.00 13.22 O ATOM 718 OE2 GLU A 216 -13.442 -1.722 -10.459 1.00 44.35 O1- ATOM 0 H GLU A 216 -10.132 -1.857 -5.108 1.00 42.34 H new ATOM 0 HA GLU A 216 -11.353 0.361 -6.659 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -10.824 -1.090 -8.408 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -10.916 -2.520 -7.399 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -13.279 -2.621 -7.543 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -13.411 -0.963 -8.098 1.00 54.02 H new ATOM 725 N LYS A 217 -12.328 -1.193 -4.189 1.00 71.23 N ATOM 726 CA LYS A 217 -13.280 -1.343 -3.086 1.00 24.12 C ATOM 727 C LYS A 217 -12.508 -2.033 -1.964 1.00 41.53 C ATOM 728 O LYS A 217 -11.358 -2.450 -2.153 1.00 65.12 O ATOM 729 CB LYS A 217 -14.524 -2.166 -3.506 1.00 63.53 C ATOM 730 CG LYS A 217 -15.768 -1.300 -3.778 1.00 33.31 C ATOM 731 CD LYS A 217 -16.791 -2.044 -4.647 1.00 21.23 C ATOM 732 CE LYS A 217 -17.880 -1.128 -5.216 1.00 11.23 C ATOM 733 NZ LYS A 217 -17.373 -0.277 -6.312 1.00 34.23 N1+ ATOM 0 H LYS A 217 -11.396 -1.496 -3.906 1.00 71.23 H new ATOM 0 HA LYS A 217 -13.668 -0.375 -2.768 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -14.286 -2.738 -4.403 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -14.756 -2.886 -2.721 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -16.230 -1.017 -2.832 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -15.469 -0.377 -4.275 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -16.271 -2.534 -5.470 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -17.259 -2.829 -4.054 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -18.709 -1.734 -5.582 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -18.274 -0.496 -4.420 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.150 0.302 -6.690 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -16.622 0.345 -5.950 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -16.989 -0.878 -7.069 1.00 34.23 H new ATOM 747 N CYS A 218 -13.123 -2.198 -0.804 1.00 72.34 N ATOM 748 CA CYS A 218 -12.584 -2.952 0.303 1.00 52.25 C ATOM 749 C CYS A 218 -13.788 -3.400 1.149 1.00 53.24 C ATOM 750 O CYS A 218 -14.130 -2.725 2.126 1.00 3.44 O ATOM 751 CB CYS A 218 -11.563 -2.054 1.007 1.00 41.44 C ATOM 752 SG CYS A 218 -10.638 -2.940 2.287 1.00 24.22 S ATOM 0 H CYS A 218 -14.039 -1.796 -0.607 1.00 72.34 H new ATOM 0 HA CYS A 218 -12.042 -3.858 0.034 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -10.867 -1.652 0.271 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.078 -1.204 1.456 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.470 -3.501 3.114 1.00 24.22 H new ATOM 758 N PRO A 219 -14.483 -4.480 0.754 1.00 2.24 N ATOM 759 CA PRO A 219 -15.717 -4.956 1.386 1.00 23.03 C ATOM 760 C PRO A 219 -15.489 -5.665 2.726 1.00 53.55 C ATOM 761 O PRO A 219 -16.441 -6.113 3.361 1.00 51.44 O ATOM 762 CB PRO A 219 -16.359 -5.897 0.369 1.00 13.32 C ATOM 763 CG PRO A 219 -15.156 -6.478 -0.369 1.00 34.20 C ATOM 764 CD PRO A 219 -14.195 -5.296 -0.428 1.00 63.34 C ATOM 0 HA PRO A 219 -16.357 -4.110 1.636 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -16.948 -6.675 0.855 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.028 -5.365 -0.307 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.724 -7.325 0.165 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.424 -6.832 -1.365 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -13.159 -5.635 -0.425 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -14.339 -4.721 -1.343 1.00 63.34 H new ATOM 772 N PHE A 220 -14.229 -5.856 3.119 1.00 52.33 N ATOM 773 CA PHE A 220 -13.819 -6.450 4.377 1.00 13.33 C ATOM 774 C PHE A 220 -12.990 -5.426 5.155 1.00 31.11 C ATOM 775 O PHE A 220 -12.460 -4.486 4.552 1.00 61.21 O ATOM 776 CB PHE A 220 -13.016 -7.738 4.102 1.00 12.53 C ATOM 777 CG PHE A 220 -13.615 -9.041 4.594 1.00 53.04 C ATOM 778 CD1 PHE A 220 -15.001 -9.258 4.674 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.733 -10.047 5.028 1.00 43.24 C ATOM 780 CE1 PHE A 220 -15.488 -10.439 5.261 1.00 35.04 C ATOM 781 CE2 PHE A 220 -13.217 -11.221 5.627 1.00 24.41 C ATOM 782 CZ PHE A 220 -14.601 -11.410 5.756 1.00 24.35 C ATOM 0 H PHE A 220 -13.436 -5.586 2.537 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.688 -6.722 4.976 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.865 -7.820 3.026 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.031 -7.626 4.554 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.689 -8.521 4.286 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.669 -9.915 4.899 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -16.553 -10.601 5.332 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -12.529 -11.973 5.986 1.00 24.41 H new ATOM 0 HZ PHE A 220 -14.984 -12.299 6.234 1.00 24.35 H new ATOM 792 N PRO A 221 -12.819 -5.614 6.472 1.00 52.42 N ATOM 793 CA PRO A 221 -11.898 -4.810 7.250 1.00 64.02 C ATOM 794 C PRO A 221 -10.469 -5.076 6.775 1.00 52.52 C ATOM 795 O PRO A 221 -10.103 -6.211 6.452 1.00 61.24 O ATOM 796 CB PRO A 221 -12.108 -5.229 8.709 1.00 3.32 C ATOM 797 CG PRO A 221 -12.599 -6.669 8.590 1.00 31.34 C ATOM 798 CD PRO A 221 -13.403 -6.662 7.295 1.00 13.23 C ATOM 0 HA PRO A 221 -12.071 -3.740 7.138 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -11.184 -5.165 9.284 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -12.839 -4.594 9.209 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -11.769 -7.374 8.544 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.214 -6.956 9.443 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.347 -7.629 6.795 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.457 -6.464 7.490 1.00 13.23 H new ATOM 806 N ALA A 222 -9.648 -4.026 6.788 1.00 15.10 N ATOM 807 CA ALA A 222 -8.207 -4.170 6.710 1.00 33.50 C ATOM 808 C ALA A 222 -7.774 -5.034 7.888 1.00 45.31 C ATOM 809 O ALA A 222 -8.205 -4.808 9.020 1.00 5.14 O ATOM 810 CB ALA A 222 -7.527 -2.796 6.738 1.00 54.51 C ATOM 0 H ALA A 222 -9.968 -3.060 6.853 1.00 15.10 H new ATOM 0 HA ALA A 222 -7.912 -4.644 5.774 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -6.446 -2.924 6.679 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -7.869 -2.203 5.890 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -7.781 -2.283 7.666 1.00 54.51 H new ATOM 816 N GLY A 223 -6.947 -6.034 7.608 1.00 72.54 N ATOM 817 CA GLY A 223 -6.619 -7.090 8.540 1.00 54.34 C ATOM 818 C GLY A 223 -7.714 -8.144 8.537 1.00 13.20 C ATOM 819 O GLY A 223 -8.373 -8.384 9.548 1.00 13.51 O ATOM 0 H GLY A 223 -6.479 -6.130 6.707 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.666 -7.543 8.268 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -6.502 -6.678 9.542 1.00 54.34 H new ATOM 823 N SER A 224 -7.898 -8.793 7.388 1.00 12.10 N ATOM 824 CA SER A 224 -8.605 -10.053 7.276 1.00 32.34 C ATOM 825 C SER A 224 -8.081 -10.826 6.054 1.00 62.33 C ATOM 826 O SER A 224 -7.227 -10.347 5.302 1.00 52.54 O ATOM 827 CB SER A 224 -10.126 -9.812 7.245 1.00 2.20 C ATOM 828 OG SER A 224 -10.693 -9.941 8.539 1.00 61.34 O ATOM 0 H SER A 224 -7.550 -8.444 6.495 1.00 12.10 H new ATOM 0 HA SER A 224 -8.416 -10.674 8.151 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.331 -8.816 6.853 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.596 -10.524 6.567 1.00 2.20 H new ATOM 0 HG SER A 224 -10.127 -9.478 9.192 1.00 61.34 H new ATOM 834 N ASP A 225 -8.551 -12.058 5.885 1.00 61.25 N ATOM 835 CA ASP A 225 -7.963 -13.098 5.040 1.00 53.22 C ATOM 836 C ASP A 225 -8.342 -12.892 3.585 1.00 11.51 C ATOM 837 O ASP A 225 -7.480 -12.640 2.738 1.00 20.21 O ATOM 838 CB ASP A 225 -8.490 -14.443 5.564 1.00 65.42 C ATOM 839 CG ASP A 225 -7.800 -15.664 4.968 1.00 1.12 C ATOM 840 OD1 ASP A 225 -7.828 -15.876 3.738 1.00 40.32 O ATOM 841 OD2 ASP A 225 -7.357 -16.521 5.764 1.00 54.24 O1- ATOM 0 H ASP A 225 -9.397 -12.377 6.358 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.874 -13.066 5.084 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -8.374 -14.468 6.648 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -9.558 -14.507 5.356 1.00 65.42 H new ATOM 846 N LEU A 226 -9.655 -12.858 3.324 1.00 65.13 N ATOM 847 CA LEU A 226 -10.233 -12.449 2.080 1.00 13.44 C ATOM 848 C LEU A 226 -9.690 -11.086 1.729 1.00 72.23 C ATOM 849 O LEU A 226 -9.393 -10.845 0.565 1.00 44.25 O ATOM 850 CB LEU A 226 -11.754 -12.447 2.291 1.00 21.33 C ATOM 851 CG LEU A 226 -12.577 -11.260 1.798 1.00 42.04 C ATOM 852 CD1 LEU A 226 -12.416 -10.942 0.310 1.00 2.14 C ATOM 853 CD2 LEU A 226 -14.063 -11.499 2.052 1.00 31.03 C ATOM 0 H LEU A 226 -10.354 -13.130 4.015 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.990 -13.113 1.250 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -12.152 -13.342 1.813 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.936 -12.550 3.361 1.00 21.33 H new ATOM 0 HG LEU A 226 -12.192 -10.411 2.363 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.038 -10.085 0.052 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -11.372 -10.710 0.098 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -12.723 -11.804 -0.282 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -14.635 -10.643 1.695 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -14.383 -12.396 1.522 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -14.233 -11.629 3.121 1.00 31.03 H new ATOM 865 N ALA A 227 -9.602 -10.210 2.732 1.00 33.13 N ATOM 866 CA ALA A 227 -9.369 -8.805 2.521 1.00 31.51 C ATOM 867 C ALA A 227 -8.050 -8.610 1.777 1.00 61.32 C ATOM 868 O ALA A 227 -8.004 -7.955 0.732 1.00 1.22 O ATOM 869 CB ALA A 227 -9.358 -8.069 3.861 1.00 20.11 C ATOM 0 H ALA A 227 -9.693 -10.471 3.714 1.00 33.13 H new ATOM 0 HA ALA A 227 -10.173 -8.389 1.914 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.181 -7.007 3.691 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.319 -8.202 4.357 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.566 -8.473 4.491 1.00 20.11 H new ATOM 875 N GLN A 228 -7.010 -9.224 2.345 1.00 2.11 N ATOM 876 CA GLN A 228 -5.666 -9.295 1.816 1.00 62.54 C ATOM 877 C GLN A 228 -5.662 -10.011 0.463 1.00 60.13 C ATOM 878 O GLN A 228 -5.282 -9.407 -0.541 1.00 43.54 O ATOM 879 CB GLN A 228 -4.773 -9.977 2.870 1.00 74.33 C ATOM 880 CG GLN A 228 -4.489 -9.087 4.091 1.00 13.33 C ATOM 881 CD GLN A 228 -3.518 -7.952 3.786 1.00 64.54 C ATOM 882 OE1 GLN A 228 -3.902 -6.939 3.205 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.274 -8.058 4.209 1.00 5.01 N ATOM 0 H GLN A 228 -7.099 -9.710 3.237 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.265 -8.300 1.624 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -5.253 -10.897 3.203 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.828 -10.260 2.407 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -5.427 -8.668 4.454 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -4.082 -9.701 4.894 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.969 -8.904 4.690 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.616 -7.294 4.056 1.00 5.01 H new ATOM 892 N LYS A 229 -6.147 -11.257 0.400 1.00 14.24 N ATOM 893 CA LYS A 229 -6.114 -12.064 -0.825 1.00 61.11 C ATOM 894 C LYS A 229 -6.794 -11.362 -1.999 1.00 50.14 C ATOM 895 O LYS A 229 -6.314 -11.468 -3.130 1.00 20.33 O ATOM 896 CB LYS A 229 -6.784 -13.427 -0.572 1.00 43.15 C ATOM 897 CG LYS A 229 -5.800 -14.471 -0.032 1.00 65.30 C ATOM 898 CD LYS A 229 -6.554 -15.531 0.767 1.00 2.11 C ATOM 899 CE LYS A 229 -5.588 -16.583 1.314 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.295 -17.564 2.158 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.573 -11.733 1.195 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.067 -12.208 -1.092 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.601 -13.301 0.138 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.222 -13.791 -1.501 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.263 -14.939 -0.857 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.055 -13.988 0.600 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -7.091 -15.060 1.590 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.300 -16.010 0.133 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -5.098 -17.096 0.487 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -4.805 -16.095 1.895 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.609 -18.236 2.557 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -6.784 -17.069 2.930 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.991 -18.080 1.582 1.00 4.21 H new ATOM 914 N TRP A 230 -7.939 -10.714 -1.778 1.00 13.20 N ATOM 915 CA TRP A 230 -8.637 -9.992 -2.827 1.00 72.33 C ATOM 916 C TRP A 230 -7.853 -8.752 -3.244 1.00 31.00 C ATOM 917 O TRP A 230 -7.584 -8.564 -4.429 1.00 23.12 O ATOM 918 CB TRP A 230 -10.059 -9.630 -2.386 1.00 34.15 C ATOM 919 CG TRP A 230 -10.895 -9.161 -3.530 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.246 -9.948 -4.571 1.00 14.12 C ATOM 921 CD2 TRP A 230 -11.401 -7.830 -3.854 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.919 -9.213 -5.521 1.00 24.03 N ATOM 923 CE2 TRP A 230 -12.049 -7.899 -5.127 1.00 13.24 C ATOM 924 CE3 TRP A 230 -11.368 -6.573 -3.219 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -12.644 -6.778 -5.726 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -12.023 -5.462 -3.784 1.00 33.44 C ATOM 927 CH2 TRP A 230 -12.645 -5.553 -5.040 1.00 4.35 C ATOM 0 H TRP A 230 -8.401 -10.679 -0.870 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.716 -10.644 -3.697 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.529 -10.499 -1.926 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -10.016 -8.851 -1.625 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.029 -11.003 -4.647 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.274 -9.591 -6.399 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -10.834 -6.460 -2.287 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -13.096 -6.857 -6.704 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -12.047 -4.527 -3.244 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -13.121 -4.687 -5.475 1.00 4.35 H new ATOM 938 N HIS A 231 -7.468 -7.917 -2.277 1.00 41.52 N ATOM 939 CA HIS A 231 -6.758 -6.673 -2.537 1.00 44.11 C ATOM 940 C HIS A 231 -5.464 -6.918 -3.317 1.00 62.42 C ATOM 941 O HIS A 231 -5.112 -6.114 -4.177 1.00 2.10 O ATOM 942 CB HIS A 231 -6.462 -5.978 -1.206 1.00 73.30 C ATOM 943 CG HIS A 231 -5.737 -4.665 -1.326 1.00 1.23 C ATOM 944 ND1 HIS A 231 -4.590 -4.318 -0.647 1.00 54.43 N ATOM 945 CD2 HIS A 231 -6.146 -3.569 -2.038 1.00 54.44 C ATOM 946 CE1 HIS A 231 -4.309 -3.041 -0.942 1.00 44.02 C ATOM 947 NE2 HIS A 231 -5.243 -2.538 -1.764 1.00 72.12 N ATOM 0 H HIS A 231 -7.643 -8.090 -1.287 1.00 41.52 H new ATOM 0 HA HIS A 231 -7.388 -6.032 -3.153 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -7.403 -5.810 -0.683 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -5.868 -6.649 -0.586 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -4.050 -4.925 -0.030 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -7.006 -3.512 -2.689 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -3.454 -2.495 -0.571 1.00 44.02 H new ATOM 955 N LEU A 232 -4.764 -8.022 -3.044 1.00 43.21 N ATOM 956 CA LEU A 232 -3.563 -8.435 -3.743 1.00 54.14 C ATOM 957 C LEU A 232 -3.855 -8.678 -5.222 1.00 63.01 C ATOM 958 O LEU A 232 -3.184 -8.109 -6.076 1.00 33.14 O ATOM 959 CB LEU A 232 -3.033 -9.705 -3.065 1.00 63.34 C ATOM 960 CG LEU A 232 -2.041 -9.442 -1.921 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.847 -10.728 -1.108 1.00 23.25 C ATOM 962 CD2 LEU A 232 -0.674 -8.985 -2.451 1.00 64.32 C ATOM 0 H LEU A 232 -5.034 -8.669 -2.303 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.809 -7.650 -3.693 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.877 -10.274 -2.675 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -2.547 -10.328 -3.816 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.454 -8.649 -1.298 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.144 -10.543 -0.296 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.804 -11.044 -0.694 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.455 -11.512 -1.756 1.00 23.25 H new ATOM 0 HD21 LEU A 232 0.001 -8.809 -1.613 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -0.257 -9.758 -3.096 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -0.794 -8.063 -3.020 1.00 64.32 H new ATOM 974 N ILE A 233 -4.856 -9.497 -5.559 1.00 20.31 N ATOM 975 CA ILE A 233 -5.190 -9.743 -6.967 1.00 12.23 C ATOM 976 C ILE A 233 -5.716 -8.448 -7.619 1.00 33.40 C ATOM 977 O ILE A 233 -5.692 -8.297 -8.842 1.00 73.01 O ATOM 978 CB ILE A 233 -6.100 -10.990 -7.111 1.00 31.24 C ATOM 979 CG1 ILE A 233 -5.364 -12.201 -6.480 1.00 41.21 C ATOM 980 CG2 ILE A 233 -6.433 -11.292 -8.586 1.00 11.11 C ATOM 981 CD1 ILE A 233 -6.055 -13.553 -6.656 1.00 1.50 C ATOM 0 H ILE A 233 -5.442 -9.995 -4.888 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.296 -10.002 -7.534 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.044 -10.798 -6.601 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -4.366 -12.263 -6.913 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -5.238 -12.013 -5.414 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.072 -12.173 -8.642 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -6.952 -10.439 -9.024 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -5.511 -11.478 -9.137 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -5.459 -14.331 -6.179 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.043 -13.519 -6.196 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -6.157 -13.774 -7.718 1.00 1.50 H new ATOM 993 N LYS A 234 -6.193 -7.480 -6.826 1.00 35.12 N ATOM 994 CA LYS A 234 -6.741 -6.234 -7.330 1.00 65.43 C ATOM 995 C LYS A 234 -5.661 -5.171 -7.568 1.00 71.04 C ATOM 996 O LYS A 234 -5.916 -4.274 -8.362 1.00 11.24 O ATOM 997 CB LYS A 234 -7.864 -5.784 -6.375 1.00 41.01 C ATOM 998 CG LYS A 234 -8.877 -4.797 -6.966 1.00 40.11 C ATOM 999 CD LYS A 234 -9.515 -5.201 -8.308 1.00 52.01 C ATOM 1000 CE LYS A 234 -8.769 -4.721 -9.567 1.00 24.13 C ATOM 1001 NZ LYS A 234 -9.082 -3.322 -9.922 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.205 -7.550 -5.808 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.171 -6.388 -8.320 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -8.402 -6.668 -6.033 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -7.409 -5.328 -5.496 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -9.675 -4.648 -6.238 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -8.382 -3.835 -7.098 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -9.589 -6.288 -8.343 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -10.532 -4.811 -8.339 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -7.695 -4.818 -9.406 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -9.026 -5.369 -10.405 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -8.735 -3.122 -10.882 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -10.111 -3.177 -9.888 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -8.620 -2.681 -9.246 1.00 64.53 H new ATOM 1015 N GLN A 235 -4.479 -5.230 -6.945 1.00 72.02 N ATOM 1016 CA GLN A 235 -3.366 -4.316 -7.188 1.00 11.35 C ATOM 1017 C GLN A 235 -2.079 -4.992 -6.710 1.00 33.24 C ATOM 1018 O GLN A 235 -2.091 -5.609 -5.648 1.00 30.21 O ATOM 1019 CB GLN A 235 -3.624 -2.992 -6.460 1.00 22.32 C ATOM 1020 CG GLN A 235 -2.497 -1.990 -6.746 1.00 50.13 C ATOM 1021 CD GLN A 235 -2.674 -0.573 -6.196 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -3.739 -0.152 -5.752 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -1.634 0.236 -6.287 1.00 43.20 N ATOM 0 H GLN A 235 -4.268 -5.935 -6.239 1.00 72.02 H new ATOM 0 HA GLN A 235 -3.267 -4.089 -8.249 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -4.579 -2.575 -6.780 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -3.697 -3.169 -5.387 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -1.570 -2.397 -6.342 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -2.370 -1.921 -7.826 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -0.748 -0.111 -6.655 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.716 1.208 -5.989 1.00 43.20 H new