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= 0.537 K(o=0.54,f=-8.2!) USER MOD Single : A 182 GLN : amide:sc= 0.988 K(o=0.99,f=-5!) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.0349 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 143:sc= 0.71 USER MOD Single : A 224 SER OG : rot -58:sc= 1.24 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 150:sc= 0.388 (180deg=-0.37) USER MOD Single : A 231 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -1.02 K(o=-1,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -22.107 52.892 7.078 1.00 42.40 N ATOM 37 CA LEU A 177 -21.758 53.541 5.819 1.00 14.14 C ATOM 38 C LEU A 177 -22.837 53.208 4.788 1.00 25.25 C ATOM 39 O LEU A 177 -23.542 52.208 4.934 1.00 72.32 O ATOM 40 CB LEU A 177 -20.357 53.087 5.359 1.00 62.05 C ATOM 41 CG LEU A 177 -20.242 51.584 5.000 1.00 74.24 C ATOM 42 CD1 LEU A 177 -20.300 51.353 3.484 1.00 32.31 C ATOM 43 CD2 LEU A 177 -18.936 51.000 5.547 1.00 21.13 C ATOM 0 HA LEU A 177 -21.716 54.623 5.943 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -20.068 53.676 4.489 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -19.641 53.312 6.149 1.00 62.05 H new ATOM 0 HG LEU A 177 -21.093 51.081 5.459 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -20.216 50.287 3.275 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -21.248 51.725 3.095 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -19.477 51.883 3.004 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -18.872 49.944 5.286 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -18.090 51.533 5.114 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -18.916 51.107 6.632 1.00 21.13 H new ATOM 55 N ARG A 178 -22.971 54.033 3.748 1.00 24.30 N ATOM 56 CA ARG A 178 -23.829 53.816 2.580 1.00 3.45 C ATOM 57 C ARG A 178 -23.342 54.776 1.497 1.00 25.42 C ATOM 58 O ARG A 178 -22.916 55.874 1.849 1.00 34.30 O ATOM 59 CB ARG A 178 -25.313 54.065 2.933 1.00 73.44 C ATOM 60 CG ARG A 178 -25.634 55.506 3.383 1.00 23.23 C ATOM 61 CD ARG A 178 -26.992 55.622 4.093 1.00 61.32 C ATOM 62 NE ARG A 178 -28.139 55.271 3.232 1.00 43.12 N ATOM 63 CZ ARG A 178 -28.839 56.102 2.442 1.00 4.41 C ATOM 64 NH1 ARG A 178 -28.459 57.370 2.281 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -29.923 55.655 1.813 1.00 63.23 N ATOM 0 H ARG A 178 -22.459 54.914 3.694 1.00 24.30 H new ATOM 0 HA ARG A 178 -23.768 52.785 2.232 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -25.925 53.825 2.063 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -25.604 53.377 3.727 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -24.848 55.856 4.053 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -25.627 56.163 2.513 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -26.992 54.972 4.968 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -27.118 56.643 4.454 1.00 61.32 H new ATOM 0 HE ARG A 178 -28.431 54.294 3.238 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -27.629 57.718 2.760 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -28.999 57.992 1.679 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -30.218 54.686 1.932 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -30.458 56.281 1.212 1.00 63.23 H new ATOM 79 N GLN A 179 -23.407 54.398 0.218 1.00 24.00 N ATOM 80 CA GLN A 179 -23.029 55.279 -0.886 1.00 3.32 C ATOM 81 C GLN A 179 -23.786 54.829 -2.147 1.00 35.51 C ATOM 82 O GLN A 179 -24.814 55.427 -2.450 1.00 2.32 O ATOM 83 CB GLN A 179 -21.488 55.343 -0.986 1.00 52.52 C ATOM 84 CG GLN A 179 -20.960 56.532 -1.813 1.00 55.30 C ATOM 85 CD GLN A 179 -20.627 56.181 -3.258 1.00 71.53 C ATOM 86 OE1 GLN A 179 -20.932 55.092 -3.729 1.00 14.25 O ATOM 87 NE2 GLN A 179 -19.978 57.081 -3.979 1.00 3.14 N ATOM 0 H GLN A 179 -23.722 53.475 -0.079 1.00 24.00 H new ATOM 0 HA GLN A 179 -23.328 56.315 -0.729 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -21.071 55.400 0.020 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -21.125 54.416 -1.429 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -21.706 57.327 -1.805 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -20.067 56.929 -1.331 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -19.733 57.982 -3.569 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -19.723 56.873 -4.945 1.00 3.14 H new ATOM 96 N ARG A 180 -23.388 53.714 -2.779 1.00 65.05 N ATOM 97 CA ARG A 180 -24.077 53.034 -3.894 1.00 64.25 C ATOM 98 C ARG A 180 -23.907 53.787 -5.228 1.00 43.03 C ATOM 99 O ARG A 180 -24.880 54.113 -5.905 1.00 61.12 O ATOM 100 CB ARG A 180 -25.547 52.688 -3.528 1.00 54.40 C ATOM 101 CG ARG A 180 -26.137 51.432 -4.204 1.00 40.31 C ATOM 102 CD ARG A 180 -26.236 51.531 -5.732 1.00 25.33 C ATOM 103 NE ARG A 180 -26.941 50.390 -6.348 1.00 63.12 N ATOM 104 CZ ARG A 180 -26.758 49.986 -7.616 1.00 4.44 C ATOM 105 NH1 ARG A 180 -25.786 50.500 -8.358 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -27.547 49.059 -8.155 1.00 74.54 N ATOM 0 H ARG A 180 -22.529 53.233 -2.513 1.00 65.05 H new ATOM 0 HA ARG A 180 -23.589 52.074 -4.059 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -25.610 52.558 -2.448 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -26.174 53.542 -3.783 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -25.521 50.570 -3.946 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -27.131 51.247 -3.797 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -26.753 52.454 -5.996 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -25.232 51.597 -6.150 1.00 25.33 H new ATOM 0 HE ARG A 180 -27.610 49.876 -5.775 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -25.167 51.210 -7.967 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -25.657 50.185 -9.320 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -28.300 48.647 -7.604 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -27.398 48.760 -9.119 1.00 74.54 H new ATOM 120 N LEU A 181 -22.657 53.988 -5.643 1.00 42.44 N ATOM 121 CA LEU A 181 -22.268 54.283 -7.023 1.00 73.23 C ATOM 122 C LEU A 181 -22.624 53.130 -7.975 1.00 71.21 C ATOM 123 O LEU A 181 -23.087 52.064 -7.549 1.00 74.14 O ATOM 124 CB LEU A 181 -20.761 54.636 -7.071 1.00 33.22 C ATOM 125 CG LEU A 181 -19.780 53.505 -6.667 1.00 33.35 C ATOM 126 CD1 LEU A 181 -19.304 52.664 -7.860 1.00 5.21 C ATOM 127 CD2 LEU A 181 -18.532 54.089 -5.991 1.00 70.12 C ATOM 0 H LEU A 181 -21.860 53.949 -5.007 1.00 42.44 H new ATOM 0 HA LEU A 181 -22.835 55.146 -7.372 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -20.516 54.956 -8.084 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -20.588 55.490 -6.416 1.00 33.22 H new ATOM 0 HG LEU A 181 -20.340 52.864 -5.986 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -18.620 51.890 -7.510 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -20.163 52.198 -8.343 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -18.790 53.306 -8.576 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -17.856 53.280 -5.715 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -18.027 54.765 -6.681 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -18.826 54.638 -5.096 1.00 70.12 H new ATOM 139 N GLN A 182 -22.377 53.331 -9.272 1.00 62.31 N ATOM 140 CA GLN A 182 -22.231 52.291 -10.281 1.00 40.10 C ATOM 141 C GLN A 182 -21.388 52.905 -11.392 1.00 63.11 C ATOM 142 O GLN A 182 -21.768 53.939 -11.927 1.00 12.30 O ATOM 143 CB GLN A 182 -23.600 51.850 -10.808 1.00 72.53 C ATOM 144 CG GLN A 182 -23.523 50.578 -11.663 1.00 23.40 C ATOM 145 CD GLN A 182 -24.923 50.038 -11.957 1.00 41.05 C ATOM 146 OE1 GLN A 182 -25.657 49.662 -11.043 1.00 54.13 O ATOM 147 NE2 GLN A 182 -25.328 49.991 -13.214 1.00 22.23 N ATOM 0 H GLN A 182 -22.269 54.268 -9.660 1.00 62.31 H new ATOM 0 HA GLN A 182 -21.757 51.399 -9.872 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -24.270 51.677 -9.966 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -24.034 52.656 -11.401 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -23.007 50.794 -12.599 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -22.937 49.820 -11.144 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -24.709 50.306 -13.961 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -26.259 49.640 -13.437 1.00 22.23 H new ATOM 156 N ASP A 183 -20.254 52.284 -11.702 1.00 20.03 N ATOM 157 CA ASP A 183 -19.271 52.746 -12.692 1.00 43.12 C ATOM 158 C ASP A 183 -18.559 51.533 -13.304 1.00 32.23 C ATOM 159 O ASP A 183 -17.524 51.610 -13.950 1.00 34.24 O ATOM 160 CB ASP A 183 -18.285 53.705 -12.004 1.00 20.31 C ATOM 161 CG ASP A 183 -17.380 54.443 -12.996 1.00 12.13 C ATOM 162 OD1 ASP A 183 -17.898 54.860 -14.050 1.00 22.45 O ATOM 163 OD2 ASP A 183 -16.194 54.636 -12.623 1.00 23.45 O1- ATOM 0 H ASP A 183 -19.978 51.409 -11.256 1.00 20.03 H new ATOM 0 HA ASP A 183 -19.761 53.286 -13.502 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -18.844 54.434 -11.418 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -17.666 53.142 -11.305 1.00 20.31 H new ATOM 168 N THR A 184 -19.100 50.339 -13.053 1.00 51.30 N ATOM 169 CA THR A 184 -18.386 49.091 -13.231 1.00 22.11 C ATOM 170 C THR A 184 -18.380 48.623 -14.698 1.00 53.13 C ATOM 171 O THR A 184 -17.732 47.627 -15.039 1.00 71.31 O ATOM 172 CB THR A 184 -18.988 48.081 -12.236 1.00 3.31 C ATOM 173 OG1 THR A 184 -20.402 48.038 -12.335 1.00 25.41 O ATOM 174 CG2 THR A 184 -18.691 48.499 -10.786 1.00 51.10 C ATOM 0 H THR A 184 -20.056 50.219 -12.718 1.00 51.30 H new ATOM 0 HA THR A 184 -17.325 49.209 -13.009 1.00 22.11 H new ATOM 0 HB THR A 184 -18.544 47.116 -12.480 1.00 3.31 H new ATOM 0 HG1 THR A 184 -20.755 47.387 -11.693 1.00 25.41 H new ATOM 0 HG21 THR A 184 -19.126 47.771 -10.101 1.00 51.10 H new ATOM 0 HG22 THR A 184 -17.613 48.542 -10.633 1.00 51.10 H new ATOM 0 HG23 THR A 184 -19.124 49.481 -10.594 1.00 51.10 H new ATOM 182 N VAL A 185 -19.097 49.342 -15.566 1.00 43.51 N ATOM 183 CA VAL A 185 -19.081 49.242 -17.018 1.00 73.04 C ATOM 184 C VAL A 185 -19.841 50.454 -17.563 1.00 11.42 C ATOM 185 O VAL A 185 -21.035 50.600 -17.299 1.00 54.52 O ATOM 186 CB VAL A 185 -19.638 47.877 -17.488 1.00 23.54 C ATOM 187 CG1 VAL A 185 -20.952 47.422 -16.824 1.00 72.43 C ATOM 188 CG2 VAL A 185 -19.771 47.781 -19.011 1.00 23.12 C ATOM 0 H VAL A 185 -19.748 50.058 -15.244 1.00 43.51 H new ATOM 0 HA VAL A 185 -18.066 49.267 -17.413 1.00 73.04 H new ATOM 0 HB VAL A 185 -18.871 47.183 -17.144 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -21.248 46.454 -17.229 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -20.805 47.335 -15.748 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -21.734 48.154 -17.025 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -20.166 46.802 -19.281 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -20.449 48.557 -19.367 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -18.792 47.916 -19.471 1.00 23.12 H new ATOM 198 N GLY A 186 -19.170 51.322 -18.323 1.00 64.11 N ATOM 199 CA GLY A 186 -19.775 52.471 -18.997 1.00 14.24 C ATOM 200 C GLY A 186 -20.479 52.048 -20.288 1.00 62.45 C ATOM 201 O GLY A 186 -20.281 52.671 -21.328 1.00 21.23 O ATOM 0 H GLY A 186 -18.167 51.243 -18.490 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -20.491 52.952 -18.330 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -19.006 53.209 -19.224 1.00 14.24 H new ATOM 205 N LEU A 187 -21.281 50.980 -20.221 1.00 72.41 N ATOM 206 CA LEU A 187 -21.733 50.178 -21.358 1.00 12.03 C ATOM 207 C LEU A 187 -20.547 49.627 -22.174 1.00 61.21 C ATOM 208 O LEU A 187 -19.386 49.760 -21.787 1.00 12.43 O ATOM 209 CB LEU A 187 -22.765 50.947 -22.200 1.00 63.55 C ATOM 210 CG LEU A 187 -23.886 50.016 -22.702 1.00 32.34 C ATOM 211 CD1 LEU A 187 -24.937 49.754 -21.614 1.00 15.23 C ATOM 212 CD2 LEU A 187 -24.554 50.634 -23.921 1.00 11.21 C ATOM 0 H LEU A 187 -21.648 50.638 -19.333 1.00 72.41 H new ATOM 0 HA LEU A 187 -22.252 49.299 -20.976 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -23.197 51.751 -21.604 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -22.268 51.413 -23.051 1.00 63.55 H new ATOM 0 HG LEU A 187 -23.435 49.060 -22.967 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -25.710 49.094 -22.007 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -24.461 49.284 -20.754 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -25.387 50.698 -21.308 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -25.346 49.975 -24.275 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -24.979 51.601 -23.652 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -23.815 50.770 -24.711 1.00 11.21 H new ATOM 674 N MET A 214 -3.394 -1.642 -7.640 1.00 0.24 N ATOM 675 CA MET A 214 -3.143 -2.066 -6.262 1.00 32.05 C ATOM 676 C MET A 214 -4.133 -1.600 -5.191 1.00 23.33 C ATOM 677 O MET A 214 -3.784 -1.493 -4.016 1.00 53.34 O ATOM 678 CB MET A 214 -1.669 -1.801 -5.889 1.00 13.22 C ATOM 679 CG MET A 214 -1.319 -0.321 -5.674 1.00 41.51 C ATOM 680 SD MET A 214 0.430 -0.045 -5.281 1.00 21.51 S ATOM 681 CE MET A 214 0.374 1.660 -4.683 1.00 63.42 C ATOM 0 HA MET A 214 -3.335 -3.139 -6.261 1.00 32.05 H new ATOM 0 HB2 MET A 214 -1.434 -2.352 -4.979 1.00 13.22 H new ATOM 0 HB3 MET A 214 -1.031 -2.201 -6.677 1.00 13.22 H new ATOM 0 HG2 MET A 214 -1.575 0.240 -6.573 1.00 41.51 H new ATOM 0 HG3 MET A 214 -1.933 0.076 -4.865 1.00 41.51 H new ATOM 0 HE1 MET A 214 1.377 1.980 -4.400 1.00 63.42 H new ATOM 0 HE2 MET A 214 -0.005 2.310 -5.472 1.00 63.42 H new ATOM 0 HE3 MET A 214 -0.284 1.720 -3.816 1.00 63.42 H new ATOM 691 N LEU A 215 -5.368 -1.296 -5.599 1.00 34.21 N ATOM 692 CA LEU A 215 -6.375 -0.690 -4.746 1.00 73.12 C ATOM 693 C LEU A 215 -6.603 -1.473 -3.461 1.00 63.53 C ATOM 694 O LEU A 215 -6.814 -2.684 -3.463 1.00 4.22 O ATOM 695 CB LEU A 215 -7.647 -0.467 -5.562 1.00 11.32 C ATOM 696 CG LEU A 215 -8.944 -0.143 -4.798 1.00 5.51 C ATOM 697 CD1 LEU A 215 -9.877 0.596 -5.760 1.00 20.01 C ATOM 698 CD2 LEU A 215 -9.707 -1.373 -4.311 1.00 75.40 C ATOM 0 H LEU A 215 -5.695 -1.470 -6.549 1.00 34.21 H new ATOM 0 HA LEU A 215 -6.018 0.281 -4.403 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -7.458 0.348 -6.261 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -7.824 -1.363 -6.157 1.00 11.32 H new ATOM 0 HG LEU A 215 -8.654 0.437 -3.922 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -10.808 0.841 -5.248 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -9.397 1.514 -6.099 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -10.092 -0.040 -6.619 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.607 -1.057 -3.783 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -9.985 -1.991 -5.165 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -9.074 -1.950 -3.637 1.00 75.40 H new ATOM 710 N GLU A 216 -6.660 -0.727 -2.369 1.00 42.34 N ATOM 711 CA GLU A 216 -6.875 -1.180 -1.020 1.00 21.22 C ATOM 712 C GLU A 216 -8.030 -0.331 -0.488 1.00 61.20 C ATOM 713 O GLU A 216 -7.875 0.664 0.221 1.00 11.33 O ATOM 714 CB GLU A 216 -5.525 -1.153 -0.276 1.00 25.21 C ATOM 715 CG GLU A 216 -5.636 -1.190 1.248 1.00 54.02 C ATOM 716 CD GLU A 216 -4.299 -1.533 1.926 1.00 1.13 C ATOM 717 OE1 GLU A 216 -3.475 -0.622 2.165 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -4.047 -2.725 2.243 1.00 13.22 O ATOM 0 H GLU A 216 -6.548 0.286 -2.416 1.00 42.34 H new ATOM 0 HA GLU A 216 -7.190 -2.216 -0.895 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -4.927 -2.004 -0.604 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -4.984 -0.252 -0.566 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -5.985 -0.222 1.608 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -6.386 -1.926 1.537 1.00 54.02 H new ATOM 725 N LYS A 217 -9.222 -0.675 -0.978 1.00 71.23 N ATOM 726 CA LYS A 217 -10.476 -0.003 -0.677 1.00 24.12 C ATOM 727 C LYS A 217 -11.609 -1.000 -0.915 1.00 41.53 C ATOM 728 O LYS A 217 -12.258 -0.983 -1.964 1.00 65.12 O ATOM 729 CB LYS A 217 -10.575 1.284 -1.512 1.00 63.53 C ATOM 730 CG LYS A 217 -11.642 2.246 -0.976 1.00 33.31 C ATOM 731 CD LYS A 217 -11.422 3.645 -1.557 1.00 21.23 C ATOM 732 CE LYS A 217 -10.307 4.372 -0.790 1.00 11.23 C ATOM 733 NZ LYS A 217 -9.910 5.637 -1.439 1.00 34.23 N1+ ATOM 0 H LYS A 217 -9.339 -1.460 -1.619 1.00 71.23 H new ATOM 0 HA LYS A 217 -10.541 0.316 0.363 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -9.607 1.786 -1.518 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -10.807 1.027 -2.545 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -12.636 1.885 -1.241 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -11.596 2.284 0.112 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -11.158 3.571 -2.612 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -12.346 4.220 -1.499 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -10.643 4.578 0.226 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -9.438 3.719 -0.712 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -9.156 6.090 -0.884 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -9.563 5.440 -2.400 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -10.731 6.273 -1.491 1.00 34.23 H new ATOM 747 N CYS A 218 -11.784 -1.933 0.016 1.00 72.34 N ATOM 748 CA CYS A 218 -12.657 -3.092 -0.079 1.00 52.25 C ATOM 749 C CYS A 218 -13.523 -3.140 1.190 1.00 53.24 C ATOM 750 O CYS A 218 -13.080 -2.647 2.223 1.00 3.44 O ATOM 751 CB CYS A 218 -11.745 -4.328 -0.214 1.00 41.44 C ATOM 752 SG CYS A 218 -12.445 -5.524 -1.374 1.00 24.22 S ATOM 0 H CYS A 218 -11.290 -1.895 0.908 1.00 72.34 H new ATOM 0 HA CYS A 218 -13.328 -3.054 -0.937 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -10.757 -4.020 -0.556 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -11.614 -4.796 0.762 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.487 -6.078 -2.057 1.00 24.22 H new ATOM 758 N PRO A 219 -14.734 -3.727 1.163 1.00 2.24 N ATOM 759 CA PRO A 219 -15.662 -3.685 2.293 1.00 23.03 C ATOM 760 C PRO A 219 -15.425 -4.806 3.317 1.00 53.55 C ATOM 761 O PRO A 219 -16.119 -4.850 4.342 1.00 51.44 O ATOM 762 CB PRO A 219 -17.038 -3.812 1.646 1.00 13.32 C ATOM 763 CG PRO A 219 -16.770 -4.796 0.514 1.00 34.20 C ATOM 764 CD PRO A 219 -15.389 -4.362 0.023 1.00 63.34 C ATOM 0 HA PRO A 219 -15.539 -2.769 2.870 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.784 -4.189 2.346 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.404 -2.854 1.275 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.771 -5.828 0.864 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.522 -4.725 -0.272 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -14.814 -5.218 -0.329 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -15.473 -3.669 -0.814 1.00 63.34 H new ATOM 772 N PHE A 220 -14.500 -5.732 3.036 1.00 52.33 N ATOM 773 CA PHE A 220 -13.993 -6.669 4.024 1.00 13.33 C ATOM 774 C PHE A 220 -13.386 -5.844 5.165 1.00 31.11 C ATOM 775 O PHE A 220 -12.757 -4.819 4.890 1.00 61.21 O ATOM 776 CB PHE A 220 -12.902 -7.555 3.399 1.00 12.53 C ATOM 777 CG PHE A 220 -13.359 -8.502 2.306 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.162 -9.610 2.626 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.953 -8.302 0.973 1.00 43.24 C ATOM 780 CE1 PHE A 220 -14.605 -10.481 1.613 1.00 35.04 C ATOM 781 CE2 PHE A 220 -13.384 -9.180 -0.037 1.00 24.41 C ATOM 782 CZ PHE A 220 -14.231 -10.257 0.278 1.00 24.35 C ATOM 0 H PHE A 220 -14.086 -5.846 2.111 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.795 -7.312 4.387 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.126 -6.908 2.990 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.441 -8.143 4.192 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.440 -9.794 3.653 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -12.308 -7.472 0.725 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -15.234 -11.323 1.863 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -13.064 -9.027 -1.057 1.00 24.41 H new ATOM 0 HZ PHE A 220 -14.592 -10.909 -0.503 1.00 24.35 H new ATOM 792 N PRO A 221 -13.500 -6.294 6.425 1.00 52.42 N ATOM 793 CA PRO A 221 -12.957 -5.571 7.558 1.00 64.02 C ATOM 794 C PRO A 221 -11.455 -5.363 7.390 1.00 52.52 C ATOM 795 O PRO A 221 -10.740 -6.256 6.918 1.00 61.24 O ATOM 796 CB PRO A 221 -13.262 -6.437 8.781 1.00 3.32 C ATOM 797 CG PRO A 221 -13.499 -7.836 8.223 1.00 31.34 C ATOM 798 CD PRO A 221 -14.090 -7.551 6.843 1.00 13.23 C ATOM 0 HA PRO A 221 -13.396 -4.578 7.656 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.432 -6.429 9.487 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.139 -6.071 9.315 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.573 -8.408 8.157 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.184 -8.410 8.847 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.852 -8.350 6.141 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.177 -7.480 6.888 1.00 13.23 H new ATOM 806 N ALA A 222 -10.979 -4.197 7.826 1.00 15.10 N ATOM 807 CA ALA A 222 -9.559 -3.976 8.003 1.00 33.50 C ATOM 808 C ALA A 222 -9.032 -5.011 8.993 1.00 45.31 C ATOM 809 O ALA A 222 -9.722 -5.408 9.942 1.00 5.14 O ATOM 810 CB ALA A 222 -9.300 -2.545 8.473 1.00 54.51 C ATOM 0 H ALA A 222 -11.563 -3.395 8.061 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.031 -4.096 7.057 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.228 -2.393 8.602 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.679 -1.844 7.730 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.807 -2.377 9.423 1.00 54.51 H new ATOM 816 N GLY A 223 -7.805 -5.454 8.743 1.00 72.54 N ATOM 817 CA GLY A 223 -7.202 -6.546 9.475 1.00 54.34 C ATOM 818 C GLY A 223 -7.963 -7.837 9.223 1.00 13.20 C ATOM 819 O GLY A 223 -8.287 -8.547 10.179 1.00 13.51 O ATOM 0 H GLY A 223 -7.202 -5.059 8.021 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.162 -6.665 9.172 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.200 -6.320 10.541 1.00 54.34 H new ATOM 823 N SER A 224 -8.229 -8.154 7.951 1.00 12.10 N ATOM 824 CA SER A 224 -8.582 -9.510 7.588 1.00 32.34 C ATOM 825 C SER A 224 -7.748 -10.015 6.415 1.00 62.33 C ATOM 826 O SER A 224 -7.389 -9.265 5.500 1.00 52.54 O ATOM 827 CB SER A 224 -10.094 -9.661 7.389 1.00 2.20 C ATOM 828 OG SER A 224 -10.623 -8.883 6.327 1.00 61.34 O ATOM 0 H SER A 224 -8.205 -7.494 7.174 1.00 12.10 H new ATOM 0 HA SER A 224 -8.330 -10.163 8.423 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.321 -10.711 7.203 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.600 -9.384 8.314 1.00 2.20 H new ATOM 0 HG SER A 224 -10.428 -7.936 6.487 1.00 61.34 H new ATOM 834 N ASP A 225 -7.506 -11.325 6.456 1.00 61.25 N ATOM 835 CA ASP A 225 -6.979 -12.186 5.402 1.00 53.22 C ATOM 836 C ASP A 225 -7.667 -11.912 4.071 1.00 11.51 C ATOM 837 O ASP A 225 -7.002 -11.658 3.064 1.00 20.21 O ATOM 838 CB ASP A 225 -7.228 -13.639 5.829 1.00 65.42 C ATOM 839 CG ASP A 225 -7.102 -14.632 4.680 1.00 1.12 C ATOM 840 OD1 ASP A 225 -5.973 -15.029 4.313 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -8.153 -15.056 4.153 1.00 40.32 O ATOM 0 H ASP A 225 -7.691 -11.857 7.306 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.915 -11.993 5.264 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.519 -13.907 6.612 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.225 -13.718 6.261 1.00 65.42 H new ATOM 846 N LEU A 226 -9.004 -11.938 4.079 1.00 65.13 N ATOM 847 CA LEU A 226 -9.791 -11.902 2.856 1.00 13.44 C ATOM 848 C LEU A 226 -9.512 -10.619 2.080 1.00 72.23 C ATOM 849 O LEU A 226 -9.347 -10.674 0.862 1.00 44.25 O ATOM 850 CB LEU A 226 -11.297 -12.020 3.143 1.00 21.33 C ATOM 851 CG LEU A 226 -11.762 -13.377 3.710 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.285 -13.354 3.874 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.400 -14.571 2.817 1.00 31.03 C ATOM 0 H LEU A 226 -9.562 -11.984 4.931 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.494 -12.761 2.254 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.577 -11.237 3.847 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.841 -11.827 2.219 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.246 -13.509 4.661 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.622 -14.310 4.275 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.565 -12.554 4.560 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.753 -13.181 2.905 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -11.758 -15.492 3.278 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -11.867 -14.449 1.840 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.318 -14.621 2.698 1.00 31.03 H new ATOM 865 N ALA A 227 -9.424 -9.481 2.776 1.00 33.13 N ATOM 866 CA ALA A 227 -9.085 -8.201 2.178 1.00 31.51 C ATOM 867 C ALA A 227 -7.712 -8.269 1.507 1.00 61.32 C ATOM 868 O ALA A 227 -7.577 -7.924 0.337 1.00 1.22 O ATOM 869 CB ALA A 227 -9.094 -7.109 3.250 1.00 20.11 C ATOM 0 H ALA A 227 -9.589 -9.430 3.781 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.828 -7.962 1.418 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.839 -6.151 2.796 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.086 -7.046 3.697 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.363 -7.351 4.022 1.00 20.11 H new ATOM 875 N GLN A 228 -6.690 -8.718 2.237 1.00 2.11 N ATOM 876 CA GLN A 228 -5.316 -8.700 1.749 1.00 62.54 C ATOM 877 C GLN A 228 -5.119 -9.652 0.561 1.00 60.13 C ATOM 878 O GLN A 228 -4.415 -9.300 -0.390 1.00 43.54 O ATOM 879 CB GLN A 228 -4.340 -8.974 2.903 1.00 74.33 C ATOM 880 CG GLN A 228 -4.385 -7.844 3.951 1.00 13.33 C ATOM 881 CD GLN A 228 -3.402 -8.065 5.099 1.00 64.54 C ATOM 882 OE1 GLN A 228 -2.211 -8.277 4.887 1.00 5.12 O ATOM 883 NE2 GLN A 228 -3.865 -7.989 6.334 1.00 5.01 N ATOM 0 H GLN A 228 -6.793 -9.101 3.177 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.097 -7.704 1.366 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.590 -9.923 3.377 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.327 -9.070 2.511 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -4.162 -6.894 3.465 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.395 -7.767 4.353 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -4.856 -7.812 6.497 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -3.231 -8.107 7.124 1.00 5.01 H new ATOM 892 N LYS A 229 -5.750 -10.830 0.559 1.00 14.24 N ATOM 893 CA LYS A 229 -5.718 -11.712 -0.613 1.00 61.11 C ATOM 894 C LYS A 229 -6.589 -11.181 -1.745 1.00 50.14 C ATOM 895 O LYS A 229 -6.382 -11.579 -2.891 1.00 20.33 O ATOM 896 CB LYS A 229 -6.178 -13.127 -0.253 1.00 43.15 C ATOM 897 CG LYS A 229 -5.185 -13.814 0.692 1.00 65.30 C ATOM 898 CD LYS A 229 -5.461 -15.312 0.849 1.00 2.11 C ATOM 899 CE LYS A 229 -6.906 -15.541 1.308 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.991 -16.581 2.343 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.285 -11.193 1.348 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.682 -11.741 -0.950 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.160 -13.083 0.218 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.286 -13.718 -1.162 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.172 -13.673 0.314 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.230 -13.336 1.670 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -5.288 -15.822 -0.099 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -4.769 -15.742 1.573 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -7.317 -14.608 1.695 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -7.518 -15.828 0.453 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -7.797 -16.382 2.970 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -7.124 -17.509 1.893 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.113 -16.589 2.900 1.00 4.21 H new ATOM 914 N TRP A 230 -7.551 -10.302 -1.469 1.00 13.20 N ATOM 915 CA TRP A 230 -8.283 -9.639 -2.527 1.00 72.33 C ATOM 916 C TRP A 230 -7.380 -8.586 -3.168 1.00 31.00 C ATOM 917 O TRP A 230 -7.307 -8.548 -4.391 1.00 23.12 O ATOM 918 CB TRP A 230 -9.606 -9.082 -2.003 1.00 34.15 C ATOM 919 CG TRP A 230 -10.481 -8.558 -3.083 1.00 61.20 C ATOM 920 CD1 TRP A 230 -11.395 -9.262 -3.780 1.00 14.12 C ATOM 921 CD2 TRP A 230 -10.495 -7.221 -3.641 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.976 -8.440 -4.721 1.00 24.03 N ATOM 923 CE2 TRP A 230 -11.477 -7.159 -4.666 1.00 13.24 C ATOM 924 CE3 TRP A 230 -9.783 -6.051 -3.349 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -11.765 -5.968 -5.343 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -10.051 -4.851 -4.020 1.00 33.44 C ATOM 927 CH2 TRP A 230 -11.053 -4.805 -5.007 1.00 4.35 C ATOM 0 H TRP A 230 -7.835 -10.039 -0.525 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.558 -10.349 -3.307 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.135 -9.866 -1.462 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.401 -8.284 -1.289 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.634 -10.304 -3.626 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.692 -8.745 -5.381 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -9.013 -6.074 -2.592 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -12.523 -5.944 -6.112 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -9.489 -3.961 -3.780 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -11.275 -3.874 -5.507 1.00 4.35 H new ATOM 938 N HIS A 231 -6.634 -7.798 -2.380 1.00 41.52 N ATOM 939 CA HIS A 231 -5.654 -6.841 -2.900 1.00 44.11 C ATOM 940 C HIS A 231 -4.657 -7.539 -3.835 1.00 62.42 C ATOM 941 O HIS A 231 -4.391 -7.030 -4.919 1.00 2.10 O ATOM 942 CB HIS A 231 -4.922 -6.093 -1.769 1.00 73.30 C ATOM 943 CG HIS A 231 -5.798 -5.427 -0.728 1.00 1.23 C ATOM 944 ND1 HIS A 231 -5.442 -5.206 0.582 1.00 54.43 N ATOM 945 CD2 HIS A 231 -7.034 -4.867 -0.908 1.00 54.44 C ATOM 946 CE1 HIS A 231 -6.454 -4.563 1.184 1.00 44.02 C ATOM 947 NE2 HIS A 231 -7.468 -4.350 0.324 1.00 72.12 N ATOM 0 H HIS A 231 -6.696 -7.809 -1.362 1.00 41.52 H new ATOM 0 HA HIS A 231 -6.201 -6.094 -3.475 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.264 -6.799 -1.262 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.286 -5.331 -2.219 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -7.582 -4.829 -1.838 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -6.455 -4.257 2.220 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -8.364 -3.906 0.525 1.00 72.12 H new ATOM 955 N LEU A 232 -4.195 -8.749 -3.484 1.00 43.21 N ATOM 956 CA LEU A 232 -3.292 -9.542 -4.323 1.00 54.14 C ATOM 957 C LEU A 232 -3.834 -9.712 -5.747 1.00 63.01 C ATOM 958 O LEU A 232 -3.097 -9.553 -6.719 1.00 33.14 O ATOM 959 CB LEU A 232 -3.032 -10.916 -3.681 1.00 63.34 C ATOM 960 CG LEU A 232 -1.969 -11.753 -4.424 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.559 -11.170 -4.267 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.984 -13.186 -3.879 1.00 64.32 C ATOM 0 H LEU A 232 -4.440 -9.205 -2.605 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.350 -8.998 -4.395 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.712 -10.771 -2.649 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.967 -11.476 -3.650 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.218 -11.739 -5.485 1.00 62.14 H new ATOM 0 HD11 LEU A 232 0.154 -11.793 -4.807 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.536 -10.158 -4.672 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -0.292 -11.144 -3.211 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -1.235 -13.782 -4.401 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -1.758 -13.172 -2.813 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.969 -13.625 -4.036 1.00 64.32 H new ATOM 974 N ILE A 233 -5.121 -10.045 -5.874 1.00 20.31 N ATOM 975 CA ILE A 233 -5.777 -10.225 -7.165 1.00 12.23 C ATOM 976 C ILE A 233 -6.210 -8.865 -7.738 1.00 33.40 C ATOM 977 O ILE A 233 -6.417 -8.748 -8.943 1.00 73.01 O ATOM 978 CB ILE A 233 -6.951 -11.228 -7.020 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.518 -12.569 -6.377 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.654 -11.518 -8.360 1.00 11.11 C ATOM 981 CD1 ILE A 233 -5.410 -13.331 -7.120 1.00 1.50 C ATOM 0 H ILE A 233 -5.738 -10.198 -5.077 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.078 -10.653 -7.884 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.657 -10.733 -6.353 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.180 -12.372 -5.360 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -7.392 -13.215 -6.303 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -8.467 -12.226 -8.199 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -8.056 -10.591 -8.768 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.937 -11.943 -9.063 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -5.183 -14.254 -6.587 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -5.746 -13.569 -8.129 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -4.514 -12.712 -7.172 1.00 1.50 H new ATOM 993 N LYS A 234 -6.323 -7.809 -6.927 1.00 35.12 N ATOM 994 CA LYS A 234 -6.752 -6.502 -7.392 1.00 65.43 C ATOM 995 C LYS A 234 -5.774 -6.000 -8.445 1.00 71.04 C ATOM 996 O LYS A 234 -6.224 -5.699 -9.552 1.00 11.24 O ATOM 997 CB LYS A 234 -6.975 -5.549 -6.206 1.00 41.01 C ATOM 998 CG LYS A 234 -7.522 -4.158 -6.551 1.00 40.11 C ATOM 999 CD LYS A 234 -8.719 -4.124 -7.518 1.00 52.01 C ATOM 1000 CE LYS A 234 -8.244 -3.714 -8.919 1.00 24.13 C ATOM 1001 NZ LYS A 234 -8.663 -2.351 -9.281 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.117 -7.844 -5.929 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.724 -6.563 -7.882 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -7.664 -6.025 -5.508 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -6.027 -5.425 -5.683 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -7.815 -3.665 -5.624 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -6.714 -3.569 -6.984 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -9.194 -5.104 -7.557 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -9.469 -3.420 -7.158 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -7.157 -3.780 -8.964 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -8.637 -4.418 -9.653 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -8.317 -2.123 -10.235 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -9.701 -2.291 -9.266 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -8.267 -1.673 -8.599 1.00 64.53 H new ATOM 1015 N GLN A 235 -4.464 -5.948 -8.173 1.00 72.02 N ATOM 1016 CA GLN A 235 -3.521 -5.551 -9.222 1.00 11.35 C ATOM 1017 C GLN A 235 -3.258 -6.644 -10.284 1.00 33.24 C ATOM 1018 O GLN A 235 -2.396 -6.444 -11.140 1.00 30.21 O ATOM 1019 CB GLN A 235 -2.225 -4.935 -8.685 1.00 22.32 C ATOM 1020 CG GLN A 235 -1.254 -5.853 -7.937 1.00 50.13 C ATOM 1021 CD GLN A 235 -1.582 -6.033 -6.458 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -2.088 -5.134 -5.799 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -1.318 -7.200 -5.901 1.00 43.20 N ATOM 0 H GLN A 235 -4.045 -6.167 -7.269 1.00 72.02 H new ATOM 0 HA GLN A 235 -4.039 -4.750 -9.750 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -1.689 -4.496 -9.526 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -2.495 -4.117 -8.017 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -1.251 -6.831 -8.419 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -0.246 -5.449 -8.028 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -0.896 -7.946 -6.455 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.536 -7.356 -4.917 1.00 43.20 H new