USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=5 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= -0.539 K(o=-0.54,f=-1.8!) USER MOD Single : A 182 GLN : amide:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 184 THR OG1 : rot -24:sc= 0.477 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.533) USER MOD Single : A 218 CYS SG : rot 33:sc= 1.13 USER MOD Single : A 224 SER OG : rot 16:sc= 0.667 USER MOD Single : A 228 GLN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 172:sc= 0.939 (180deg=0.793) USER MOD Single : A 231 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.031) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 22.065 65.856 -68.656 1.00 42.40 N ATOM 37 CA LEU A 177 21.754 64.769 -67.735 1.00 14.14 C ATOM 38 C LEU A 177 20.626 63.945 -68.356 1.00 25.25 C ATOM 39 O LEU A 177 20.048 64.362 -69.359 1.00 72.32 O ATOM 40 CB LEU A 177 21.431 65.330 -66.333 1.00 62.05 C ATOM 41 CG LEU A 177 20.218 66.288 -66.216 1.00 74.24 C ATOM 42 CD1 LEU A 177 18.868 65.567 -66.104 1.00 32.31 C ATOM 43 CD2 LEU A 177 20.382 67.161 -64.966 1.00 21.13 C ATOM 0 HA LEU A 177 22.607 64.107 -67.584 1.00 14.14 H new ATOM 0 HB2 LEU A 177 21.262 64.487 -65.663 1.00 62.05 H new ATOM 0 HB3 LEU A 177 22.313 65.856 -65.968 1.00 62.05 H new ATOM 0 HG LEU A 177 20.207 66.874 -67.135 1.00 74.24 H new ATOM 0 HD11 LEU A 177 18.068 66.303 -66.026 1.00 32.31 H new ATOM 0 HD12 LEU A 177 18.710 64.952 -66.990 1.00 32.31 H new ATOM 0 HD13 LEU A 177 18.866 64.934 -65.217 1.00 32.31 H new ATOM 0 HD21 LEU A 177 19.531 67.837 -64.880 1.00 21.13 H new ATOM 0 HD22 LEU A 177 20.432 66.525 -64.082 1.00 21.13 H new ATOM 0 HD23 LEU A 177 21.300 67.743 -65.046 1.00 21.13 H new ATOM 55 N ARG A 178 20.301 62.787 -67.775 1.00 24.30 N ATOM 56 CA ARG A 178 19.195 61.930 -68.221 1.00 3.45 C ATOM 57 C ARG A 178 18.334 61.481 -67.037 1.00 25.42 C ATOM 58 O ARG A 178 17.724 60.417 -67.086 1.00 34.30 O ATOM 59 CB ARG A 178 19.723 60.760 -69.078 1.00 73.44 C ATOM 60 CG ARG A 178 20.629 59.762 -68.330 1.00 23.23 C ATOM 61 CD ARG A 178 20.972 58.543 -69.201 1.00 61.32 C ATOM 62 NE ARG A 178 21.835 58.889 -70.348 1.00 43.12 N ATOM 63 CZ ARG A 178 22.144 58.080 -71.373 1.00 4.41 C ATOM 64 NH1 ARG A 178 21.639 56.849 -71.444 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 22.965 58.509 -72.330 1.00 63.23 N ATOM 0 H ARG A 178 20.804 62.412 -66.971 1.00 24.30 H new ATOM 0 HA ARG A 178 18.535 62.509 -68.867 1.00 3.45 H new ATOM 0 HB2 ARG A 178 18.872 60.217 -69.489 1.00 73.44 H new ATOM 0 HB3 ARG A 178 20.278 61.169 -69.922 1.00 73.44 H new ATOM 0 HG2 ARG A 178 21.548 60.262 -68.026 1.00 23.23 H new ATOM 0 HG3 ARG A 178 20.131 59.430 -67.419 1.00 23.23 H new ATOM 0 HD2 ARG A 178 21.472 57.793 -68.588 1.00 61.32 H new ATOM 0 HD3 ARG A 178 20.050 58.092 -69.568 1.00 61.32 H new ATOM 0 HE ARG A 178 22.232 59.828 -70.363 1.00 43.12 H new ATOM 0 HH11 ARG A 178 21.010 56.513 -70.714 1.00 33.23 H new ATOM 0 HH12 ARG A 178 21.881 56.243 -72.228 1.00 33.23 H new ATOM 0 HH21 ARG A 178 23.357 59.450 -72.282 1.00 63.23 H new ATOM 0 HH22 ARG A 178 23.202 57.897 -73.111 1.00 63.23 H new ATOM 79 N GLN A 179 18.336 62.267 -65.955 1.00 24.00 N ATOM 80 CA GLN A 179 17.964 61.830 -64.615 1.00 3.32 C ATOM 81 C GLN A 179 18.773 60.576 -64.230 1.00 35.51 C ATOM 82 O GLN A 179 19.814 60.290 -64.831 1.00 2.32 O ATOM 83 CB GLN A 179 16.424 61.693 -64.511 1.00 52.52 C ATOM 84 CG GLN A 179 15.838 62.141 -63.162 1.00 55.30 C ATOM 85 CD GLN A 179 15.961 63.653 -62.958 1.00 71.53 C ATOM 86 OE1 GLN A 179 17.030 64.152 -62.631 1.00 14.25 O ATOM 87 NE2 GLN A 179 14.897 64.412 -63.162 1.00 3.14 N ATOM 0 H GLN A 179 18.604 63.250 -65.994 1.00 24.00 H new ATOM 0 HA GLN A 179 18.229 62.578 -63.867 1.00 3.32 H new ATOM 0 HB2 GLN A 179 15.964 62.280 -65.306 1.00 52.52 H new ATOM 0 HB3 GLN A 179 16.151 60.652 -64.685 1.00 52.52 H new ATOM 0 HG2 GLN A 179 14.788 61.852 -63.109 1.00 55.30 H new ATOM 0 HG3 GLN A 179 16.353 61.623 -62.353 1.00 55.30 H new ATOM 0 HE21 GLN A 179 14.011 63.986 -63.434 1.00 3.14 H new ATOM 0 HE22 GLN A 179 14.962 65.423 -63.047 1.00 3.14 H new ATOM 96 N ARG A 180 18.357 59.859 -63.184 1.00 65.05 N ATOM 97 CA ARG A 180 18.796 58.496 -62.885 1.00 64.25 C ATOM 98 C ARG A 180 17.647 57.779 -62.174 1.00 43.03 C ATOM 99 O ARG A 180 16.640 58.409 -61.846 1.00 61.12 O ATOM 100 CB ARG A 180 20.099 58.478 -62.054 1.00 54.40 C ATOM 101 CG ARG A 180 19.949 59.034 -60.625 1.00 40.31 C ATOM 102 CD ARG A 180 21.150 58.637 -59.754 1.00 25.33 C ATOM 103 NE ARG A 180 20.883 58.877 -58.323 1.00 63.12 N ATOM 104 CZ ARG A 180 20.185 58.078 -57.496 1.00 4.44 C ATOM 105 NH1 ARG A 180 19.682 56.914 -57.897 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 19.964 58.449 -56.238 1.00 74.54 N ATOM 0 H ARG A 180 17.688 60.221 -62.504 1.00 65.05 H new ATOM 0 HA ARG A 180 19.037 57.973 -63.810 1.00 64.25 H new ATOM 0 HB2 ARG A 180 20.464 57.453 -61.996 1.00 54.40 H new ATOM 0 HB3 ARG A 180 20.858 59.058 -62.579 1.00 54.40 H new ATOM 0 HG2 ARG A 180 19.863 60.120 -60.660 1.00 40.31 H new ATOM 0 HG3 ARG A 180 19.030 58.656 -60.178 1.00 40.31 H new ATOM 0 HD2 ARG A 180 21.382 57.583 -59.910 1.00 25.33 H new ATOM 0 HD3 ARG A 180 22.028 59.205 -60.062 1.00 25.33 H new ATOM 0 HE ARG A 180 21.265 59.733 -57.921 1.00 63.12 H new ATOM 0 HH11 ARG A 180 19.821 56.603 -58.858 1.00 33.41 H new ATOM 0 HH12 ARG A 180 19.158 56.333 -57.243 1.00 33.41 H new ATOM 0 HH21 ARG A 180 20.324 59.341 -55.899 1.00 74.54 H new ATOM 0 HH22 ARG A 180 19.434 57.842 -55.613 1.00 74.54 H new ATOM 120 N LEU A 181 17.844 56.502 -61.858 1.00 42.44 N ATOM 121 CA LEU A 181 17.007 55.700 -60.970 1.00 73.23 C ATOM 122 C LEU A 181 17.960 54.894 -60.075 1.00 71.21 C ATOM 123 O LEU A 181 19.173 55.128 -60.095 1.00 74.14 O ATOM 124 CB LEU A 181 16.060 54.812 -61.812 1.00 33.22 C ATOM 125 CG LEU A 181 14.577 54.897 -61.398 1.00 33.35 C ATOM 126 CD1 LEU A 181 13.720 54.149 -62.425 1.00 5.21 C ATOM 127 CD2 LEU A 181 14.300 54.316 -60.005 1.00 70.12 C ATOM 0 H LEU A 181 18.631 55.972 -62.233 1.00 42.44 H new ATOM 0 HA LEU A 181 16.361 56.310 -60.338 1.00 73.23 H new ATOM 0 HB2 LEU A 181 16.150 55.097 -62.860 1.00 33.22 H new ATOM 0 HB3 LEU A 181 16.388 53.775 -61.735 1.00 33.22 H new ATOM 0 HG LEU A 181 14.322 55.956 -61.363 1.00 33.35 H new ATOM 0 HD11 LEU A 181 12.671 54.207 -62.135 1.00 5.21 H new ATOM 0 HD12 LEU A 181 13.851 54.603 -63.407 1.00 5.21 H new ATOM 0 HD13 LEU A 181 14.028 53.104 -62.464 1.00 5.21 H new ATOM 0 HD21 LEU A 181 13.238 54.408 -59.777 1.00 70.12 H new ATOM 0 HD22 LEU A 181 14.585 53.264 -59.986 1.00 70.12 H new ATOM 0 HD23 LEU A 181 14.879 54.863 -59.261 1.00 70.12 H new ATOM 139 N GLN A 182 17.417 53.981 -59.276 1.00 62.31 N ATOM 140 CA GLN A 182 18.077 52.795 -58.763 1.00 40.10 C ATOM 141 C GLN A 182 16.941 51.790 -58.594 1.00 63.11 C ATOM 142 O GLN A 182 16.045 51.991 -57.778 1.00 12.30 O ATOM 143 CB GLN A 182 18.898 53.053 -57.479 1.00 72.53 C ATOM 144 CG GLN A 182 18.161 53.390 -56.164 1.00 23.40 C ATOM 145 CD GLN A 182 17.308 54.659 -56.248 1.00 41.05 C ATOM 146 OE1 GLN A 182 17.840 55.768 -56.144 1.00 54.13 O ATOM 147 NE2 GLN A 182 16.005 54.532 -56.486 1.00 22.23 N ATOM 0 H GLN A 182 16.452 54.057 -58.954 1.00 62.31 H new ATOM 0 HA GLN A 182 18.845 52.420 -59.439 1.00 40.10 H new ATOM 0 HB2 GLN A 182 19.506 52.167 -57.296 1.00 72.53 H new ATOM 0 HB3 GLN A 182 19.585 53.873 -57.689 1.00 72.53 H new ATOM 0 HG2 GLN A 182 17.522 52.550 -55.890 1.00 23.40 H new ATOM 0 HG3 GLN A 182 18.894 53.507 -55.366 1.00 23.40 H new ATOM 0 HE21 GLN A 182 15.590 53.604 -56.568 1.00 22.23 H new ATOM 0 HE22 GLN A 182 15.422 55.363 -56.587 1.00 22.23 H new ATOM 156 N ASP A 183 16.914 50.783 -59.449 1.00 20.03 N ATOM 157 CA ASP A 183 15.915 49.715 -59.557 1.00 43.12 C ATOM 158 C ASP A 183 16.433 48.382 -59.045 1.00 32.23 C ATOM 159 O ASP A 183 15.677 47.513 -58.629 1.00 34.24 O ATOM 160 CB ASP A 183 15.552 49.557 -61.044 1.00 20.31 C ATOM 161 CG ASP A 183 16.749 49.053 -61.873 1.00 12.13 C ATOM 162 OD1 ASP A 183 17.879 49.544 -61.611 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 16.532 48.198 -62.752 1.00 22.45 O ATOM 0 H ASP A 183 17.649 50.675 -60.148 1.00 20.03 H new ATOM 0 HA ASP A 183 15.054 49.991 -58.948 1.00 43.12 H new ATOM 0 HB2 ASP A 183 14.721 48.859 -61.143 1.00 20.31 H new ATOM 0 HB3 ASP A 183 15.213 50.514 -61.439 1.00 20.31 H new ATOM 168 N THR A 184 17.745 48.311 -58.914 1.00 51.30 N ATOM 169 CA THR A 184 18.488 47.140 -58.504 1.00 22.11 C ATOM 170 C THR A 184 18.312 46.830 -57.007 1.00 53.13 C ATOM 171 O THR A 184 18.862 45.843 -56.516 1.00 71.31 O ATOM 172 CB THR A 184 19.959 47.335 -58.936 1.00 3.31 C ATOM 173 OG1 THR A 184 20.768 46.240 -58.561 1.00 25.41 O ATOM 174 CG2 THR A 184 20.596 48.620 -58.375 1.00 51.10 C ATOM 0 H THR A 184 18.349 49.111 -59.101 1.00 51.30 H new ATOM 0 HA THR A 184 18.097 46.252 -59.000 1.00 22.11 H new ATOM 0 HB THR A 184 19.918 47.415 -60.022 1.00 3.31 H new ATOM 0 HG1 THR A 184 20.359 45.776 -57.801 1.00 25.41 H new ATOM 0 HG21 THR A 184 21.628 48.694 -58.717 1.00 51.10 H new ATOM 0 HG22 THR A 184 20.035 49.487 -58.724 1.00 51.10 H new ATOM 0 HG23 THR A 184 20.576 48.590 -57.286 1.00 51.10 H new ATOM 182 N VAL A 185 17.581 47.659 -56.263 1.00 43.51 N ATOM 183 CA VAL A 185 17.332 47.513 -54.833 1.00 73.04 C ATOM 184 C VAL A 185 16.141 46.565 -54.607 1.00 11.42 C ATOM 185 O VAL A 185 15.153 46.920 -53.963 1.00 54.52 O ATOM 186 CB VAL A 185 17.193 48.915 -54.192 1.00 23.54 C ATOM 187 CG1 VAL A 185 18.562 49.621 -54.179 1.00 72.43 C ATOM 188 CG2 VAL A 185 16.191 49.840 -54.909 1.00 23.12 C ATOM 0 H VAL A 185 17.129 48.483 -56.658 1.00 43.51 H new ATOM 0 HA VAL A 185 18.172 47.040 -54.325 1.00 73.04 H new ATOM 0 HB VAL A 185 16.814 48.738 -53.185 1.00 23.54 H new ATOM 0 HG11 VAL A 185 18.458 50.607 -53.727 1.00 72.43 H new ATOM 0 HG12 VAL A 185 19.271 49.029 -53.600 1.00 72.43 H new ATOM 0 HG13 VAL A 185 18.927 49.727 -55.201 1.00 72.43 H new ATOM 0 HG21 VAL A 185 16.153 50.802 -54.397 1.00 23.12 H new ATOM 0 HG22 VAL A 185 16.509 49.990 -55.941 1.00 23.12 H new ATOM 0 HG23 VAL A 185 15.201 49.383 -54.897 1.00 23.12 H new ATOM 198 N GLY A 186 16.224 45.359 -55.174 1.00 64.11 N ATOM 199 CA GLY A 186 15.201 44.335 -55.034 1.00 14.24 C ATOM 200 C GLY A 186 15.239 43.688 -53.648 1.00 62.45 C ATOM 201 O GLY A 186 16.167 43.902 -52.865 1.00 21.23 O ATOM 0 H GLY A 186 17.015 45.069 -55.749 1.00 64.11 H new ATOM 0 HA2 GLY A 186 14.219 44.776 -55.204 1.00 14.24 H new ATOM 0 HA3 GLY A 186 15.344 43.570 -55.797 1.00 14.24 H new ATOM 205 N LEU A 187 14.246 42.841 -53.361 1.00 72.41 N ATOM 206 CA LEU A 187 14.141 42.089 -52.114 1.00 12.03 C ATOM 207 C LEU A 187 14.166 40.597 -52.426 1.00 61.21 C ATOM 208 O LEU A 187 13.747 40.176 -53.504 1.00 12.43 O ATOM 209 CB LEU A 187 12.855 42.466 -51.351 1.00 63.55 C ATOM 210 CG LEU A 187 13.172 43.043 -49.960 1.00 32.34 C ATOM 211 CD1 LEU A 187 13.718 44.473 -50.055 1.00 15.23 C ATOM 212 CD2 LEU A 187 11.910 43.036 -49.096 1.00 11.21 C ATOM 0 H LEU A 187 13.477 42.657 -54.006 1.00 72.41 H new ATOM 0 HA LEU A 187 14.987 42.338 -51.474 1.00 12.03 H new ATOM 0 HB2 LEU A 187 12.289 43.197 -51.929 1.00 63.55 H new ATOM 0 HB3 LEU A 187 12.222 41.585 -51.245 1.00 63.55 H new ATOM 0 HG LEU A 187 13.938 42.415 -49.505 1.00 32.34 H new ATOM 0 HD11 LEU A 187 13.931 44.848 -49.054 1.00 15.23 H new ATOM 0 HD12 LEU A 187 14.634 44.474 -50.645 1.00 15.23 H new ATOM 0 HD13 LEU A 187 12.978 45.114 -50.533 1.00 15.23 H new ATOM 0 HD21 LEU A 187 12.140 43.445 -48.112 1.00 11.21 H new ATOM 0 HD22 LEU A 187 11.140 43.644 -49.571 1.00 11.21 H new ATOM 0 HD23 LEU A 187 11.549 42.013 -48.988 1.00 11.21 H new ATOM 674 N MET A 214 -9.667 -1.491 -11.298 1.00 0.24 N ATOM 675 CA MET A 214 -10.100 -1.414 -9.896 1.00 32.05 C ATOM 676 C MET A 214 -11.209 -2.384 -9.489 1.00 23.33 C ATOM 677 O MET A 214 -11.812 -3.078 -10.302 1.00 53.34 O ATOM 678 CB MET A 214 -10.571 -0.021 -9.539 1.00 13.22 C ATOM 679 CG MET A 214 -9.516 1.076 -9.678 1.00 41.51 C ATOM 680 SD MET A 214 -7.964 0.753 -8.790 1.00 21.51 S ATOM 681 CE MET A 214 -7.386 2.445 -8.496 1.00 63.42 C ATOM 0 HA MET A 214 -9.201 -1.697 -9.348 1.00 32.05 H new ATOM 0 HB2 MET A 214 -11.421 0.232 -10.173 1.00 13.22 H new ATOM 0 HB3 MET A 214 -10.931 -0.029 -8.510 1.00 13.22 H new ATOM 0 HG2 MET A 214 -9.292 1.214 -10.736 1.00 41.51 H new ATOM 0 HG3 MET A 214 -9.937 2.014 -9.317 1.00 41.51 H new ATOM 0 HE1 MET A 214 -6.439 2.417 -7.957 1.00 63.42 H new ATOM 0 HE2 MET A 214 -7.246 2.953 -9.450 1.00 63.42 H new ATOM 0 HE3 MET A 214 -8.125 2.984 -7.903 1.00 63.42 H new ATOM 691 N LEU A 215 -11.417 -2.471 -8.174 1.00 34.21 N ATOM 692 CA LEU A 215 -12.564 -3.136 -7.559 1.00 73.12 C ATOM 693 C LEU A 215 -13.816 -2.270 -7.710 1.00 63.53 C ATOM 694 O LEU A 215 -13.729 -1.122 -8.151 1.00 4.22 O ATOM 695 CB LEU A 215 -12.274 -3.462 -6.075 1.00 11.32 C ATOM 696 CG LEU A 215 -12.643 -2.410 -5.001 1.00 5.51 C ATOM 697 CD1 LEU A 215 -12.170 -2.902 -3.631 1.00 20.01 C ATOM 698 CD2 LEU A 215 -12.033 -1.026 -5.243 1.00 75.40 C ATOM 0 H LEU A 215 -10.775 -2.070 -7.491 1.00 34.21 H new ATOM 0 HA LEU A 215 -12.743 -4.081 -8.072 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -12.800 -4.385 -5.830 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -11.208 -3.669 -5.983 1.00 11.32 H new ATOM 0 HG LEU A 215 -13.726 -2.298 -5.051 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -12.427 -2.165 -2.871 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -12.656 -3.849 -3.397 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -11.089 -3.043 -3.648 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -12.340 -0.349 -4.446 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -10.946 -1.104 -5.254 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -12.378 -0.639 -6.202 1.00 75.40 H new ATOM 710 N GLU A 216 -14.958 -2.774 -7.255 1.00 42.34 N ATOM 711 CA GLU A 216 -16.083 -1.959 -6.795 1.00 21.22 C ATOM 712 C GLU A 216 -16.778 -2.533 -5.549 1.00 61.20 C ATOM 713 O GLU A 216 -17.706 -1.921 -5.019 1.00 11.33 O ATOM 714 CB GLU A 216 -17.101 -1.730 -7.936 1.00 25.21 C ATOM 715 CG GLU A 216 -17.397 -2.923 -8.866 1.00 54.02 C ATOM 716 CD GLU A 216 -17.531 -4.289 -8.188 1.00 1.13 C ATOM 717 OE1 GLU A 216 -16.493 -4.928 -7.910 1.00 13.22 O ATOM 718 OE2 GLU A 216 -18.662 -4.794 -8.016 1.00 44.35 O1- ATOM 0 H GLU A 216 -15.134 -3.777 -7.193 1.00 42.34 H new ATOM 0 HA GLU A 216 -15.663 -0.998 -6.498 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -18.042 -1.408 -7.490 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -16.740 -0.905 -8.550 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -18.321 -2.716 -9.406 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -16.601 -2.985 -9.608 1.00 54.02 H new ATOM 725 N LYS A 217 -16.319 -3.678 -5.040 1.00 71.23 N ATOM 726 CA LYS A 217 -16.988 -4.453 -4.001 1.00 24.12 C ATOM 727 C LYS A 217 -15.964 -4.826 -2.947 1.00 41.53 C ATOM 728 O LYS A 217 -15.039 -5.592 -3.205 1.00 65.12 O ATOM 729 CB LYS A 217 -17.796 -5.629 -4.591 1.00 63.53 C ATOM 730 CG LYS A 217 -17.008 -6.771 -5.260 1.00 33.31 C ATOM 731 CD LYS A 217 -17.945 -7.769 -5.978 1.00 21.23 C ATOM 732 CE LYS A 217 -17.346 -8.368 -7.265 1.00 11.23 C ATOM 733 NZ LYS A 217 -17.469 -7.442 -8.406 1.00 34.23 N1+ ATOM 0 H LYS A 217 -15.445 -4.102 -5.351 1.00 71.23 H new ATOM 0 HA LYS A 217 -17.752 -3.857 -3.502 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -18.396 -6.060 -3.790 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -18.490 -5.224 -5.327 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -16.302 -6.354 -5.978 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -16.423 -7.299 -4.507 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -18.192 -8.579 -5.292 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -18.879 -7.264 -6.224 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -16.295 -8.606 -7.101 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -17.852 -9.305 -7.500 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -17.246 -7.946 -9.288 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -18.441 -7.076 -8.453 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -16.806 -6.650 -8.283 1.00 34.23 H new ATOM 747 N CYS A 218 -16.115 -4.240 -1.764 1.00 72.34 N ATOM 748 CA CYS A 218 -15.211 -4.390 -0.637 1.00 52.25 C ATOM 749 C CYS A 218 -16.010 -4.754 0.626 1.00 53.24 C ATOM 750 O CYS A 218 -16.010 -3.980 1.581 1.00 3.44 O ATOM 751 CB CYS A 218 -14.427 -3.075 -0.524 1.00 41.44 C ATOM 752 SG CYS A 218 -13.040 -3.242 0.637 1.00 24.22 S ATOM 0 H CYS A 218 -16.902 -3.624 -1.559 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.500 -5.205 -0.771 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -14.052 -2.786 -1.506 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -15.092 -2.279 -0.190 1.00 41.44 H new ATOM 0 HG CYS A 218 -12.574 -4.455 0.585 1.00 24.22 H new ATOM 758 N PRO A 219 -16.711 -5.908 0.665 1.00 2.24 N ATOM 759 CA PRO A 219 -17.525 -6.293 1.820 1.00 23.03 C ATOM 760 C PRO A 219 -16.691 -6.772 3.022 1.00 53.55 C ATOM 761 O PRO A 219 -17.238 -6.960 4.107 1.00 51.44 O ATOM 762 CB PRO A 219 -18.425 -7.419 1.300 1.00 13.32 C ATOM 763 CG PRO A 219 -17.560 -8.091 0.235 1.00 34.20 C ATOM 764 CD PRO A 219 -16.832 -6.905 -0.391 1.00 63.34 C ATOM 0 HA PRO A 219 -18.083 -5.437 2.200 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.700 -8.114 2.093 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -19.353 -7.032 0.880 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.866 -8.810 0.670 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -18.162 -8.630 -0.496 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.851 -7.201 -0.763 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.389 -6.509 -1.240 1.00 63.34 H new ATOM 772 N PHE A 220 -15.392 -7.031 2.837 1.00 52.33 N ATOM 773 CA PHE A 220 -14.472 -7.378 3.900 1.00 13.33 C ATOM 774 C PHE A 220 -14.093 -6.124 4.700 1.00 31.11 C ATOM 775 O PHE A 220 -13.887 -5.061 4.110 1.00 61.21 O ATOM 776 CB PHE A 220 -13.230 -8.122 3.390 1.00 12.53 C ATOM 777 CG PHE A 220 -12.928 -7.860 1.935 1.00 53.04 C ATOM 778 CD1 PHE A 220 -13.596 -8.653 0.996 1.00 43.24 C ATOM 779 CD2 PHE A 220 -12.127 -6.782 1.522 1.00 11.32 C ATOM 780 CE1 PHE A 220 -13.448 -8.400 -0.381 1.00 24.41 C ATOM 781 CE2 PHE A 220 -11.974 -6.533 0.149 1.00 35.04 C ATOM 782 CZ PHE A 220 -12.638 -7.337 -0.806 1.00 24.35 C ATOM 0 H PHE A 220 -14.951 -7.002 1.918 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.984 -8.074 4.564 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.369 -7.829 3.990 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -13.372 -9.193 3.537 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.228 -9.463 1.329 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -11.636 -6.154 2.251 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -13.955 -9.020 -1.105 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -11.344 -5.720 -0.181 1.00 35.04 H new ATOM 0 HZ PHE A 220 -12.522 -7.133 -1.860 1.00 24.35 H new ATOM 792 N PRO A 221 -13.905 -6.262 6.018 1.00 52.42 N ATOM 793 CA PRO A 221 -13.316 -5.225 6.848 1.00 64.02 C ATOM 794 C PRO A 221 -11.828 -5.109 6.516 1.00 52.52 C ATOM 795 O PRO A 221 -11.206 -6.081 6.082 1.00 61.24 O ATOM 796 CB PRO A 221 -13.540 -5.717 8.282 1.00 3.32 C ATOM 797 CG PRO A 221 -13.491 -7.243 8.155 1.00 31.34 C ATOM 798 CD PRO A 221 -14.057 -7.507 6.755 1.00 13.23 C ATOM 0 HA PRO A 221 -13.750 -4.237 6.696 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.769 -5.347 8.957 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.498 -5.379 8.676 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.473 -7.621 8.254 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.088 -7.729 8.927 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.520 -8.319 6.264 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.105 -7.804 6.808 1.00 13.23 H new ATOM 806 N ALA A 222 -11.228 -3.947 6.768 1.00 15.10 N ATOM 807 CA ALA A 222 -9.776 -3.832 6.750 1.00 33.50 C ATOM 808 C ALA A 222 -9.175 -4.663 7.886 1.00 45.31 C ATOM 809 O ALA A 222 -9.818 -4.924 8.902 1.00 5.14 O ATOM 810 CB ALA A 222 -9.373 -2.358 6.853 1.00 54.51 C ATOM 0 H ALA A 222 -11.721 -3.081 6.985 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.386 -4.222 5.810 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.286 -2.276 6.839 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.789 -1.807 6.009 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.757 -1.940 7.784 1.00 54.51 H new ATOM 816 N GLY A 223 -7.911 -5.045 7.704 1.00 72.54 N ATOM 817 CA GLY A 223 -7.147 -5.806 8.672 1.00 54.34 C ATOM 818 C GLY A 223 -7.754 -7.187 8.913 1.00 13.20 C ATOM 819 O GLY A 223 -8.089 -7.543 10.040 1.00 13.51 O ATOM 0 H GLY A 223 -7.385 -4.825 6.858 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.121 -5.916 8.320 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.104 -5.258 9.613 1.00 54.34 H new ATOM 823 N SER A 224 -7.890 -7.995 7.860 1.00 12.10 N ATOM 824 CA SER A 224 -8.306 -9.392 7.960 1.00 32.34 C ATOM 825 C SER A 224 -7.685 -10.184 6.807 1.00 62.33 C ATOM 826 O SER A 224 -7.129 -9.594 5.878 1.00 52.54 O ATOM 827 CB SER A 224 -9.835 -9.461 7.955 1.00 2.20 C ATOM 828 OG SER A 224 -10.350 -8.996 9.186 1.00 61.34 O ATOM 0 H SER A 224 -7.712 -7.692 6.902 1.00 12.10 H new ATOM 0 HA SER A 224 -7.957 -9.837 8.892 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.230 -8.859 7.137 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.159 -10.487 7.782 1.00 2.20 H new ATOM 0 HG SER A 224 -9.652 -8.506 9.669 1.00 61.34 H new ATOM 834 N ASP A 225 -7.741 -11.516 6.873 1.00 61.25 N ATOM 835 CA ASP A 225 -7.110 -12.398 5.887 1.00 53.22 C ATOM 836 C ASP A 225 -7.654 -12.117 4.487 1.00 11.51 C ATOM 837 O ASP A 225 -6.906 -11.721 3.598 1.00 20.21 O ATOM 838 CB ASP A 225 -7.350 -13.869 6.236 1.00 65.42 C ATOM 839 CG ASP A 225 -6.819 -14.746 5.106 1.00 1.12 C ATOM 840 OD1 ASP A 225 -5.602 -14.701 4.830 1.00 40.32 O ATOM 841 OD2 ASP A 225 -7.620 -15.463 4.463 1.00 54.24 O1- ATOM 0 H ASP A 225 -8.228 -12.017 7.616 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.038 -12.199 5.905 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.851 -14.119 7.172 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.414 -14.051 6.384 1.00 65.42 H new ATOM 846 N LEU A 226 -8.972 -12.263 4.303 1.00 65.13 N ATOM 847 CA LEU A 226 -9.607 -12.119 2.996 1.00 13.44 C ATOM 848 C LEU A 226 -9.373 -10.724 2.410 1.00 72.23 C ATOM 849 O LEU A 226 -9.220 -10.579 1.199 1.00 44.25 O ATOM 850 CB LEU A 226 -11.116 -12.416 3.086 1.00 21.33 C ATOM 851 CG LEU A 226 -11.470 -13.856 3.514 1.00 42.04 C ATOM 852 CD1 LEU A 226 -12.989 -13.986 3.651 1.00 2.14 C ATOM 853 CD2 LEU A 226 -10.958 -14.907 2.521 1.00 31.03 C ATOM 0 H LEU A 226 -9.623 -12.484 5.057 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.147 -12.846 2.326 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.567 -11.721 3.794 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.569 -12.220 2.114 1.00 21.33 H new ATOM 0 HG LEU A 226 -10.979 -14.042 4.469 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.241 -15.002 3.953 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.348 -13.284 4.404 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.461 -13.764 2.694 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -11.234 -15.902 2.870 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -11.403 -14.730 1.542 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -9.873 -14.837 2.445 1.00 31.03 H new ATOM 865 N ALA A 227 -9.308 -9.702 3.268 1.00 33.13 N ATOM 866 CA ALA A 227 -9.049 -8.326 2.863 1.00 31.51 C ATOM 867 C ALA A 227 -7.627 -8.147 2.306 1.00 61.32 C ATOM 868 O ALA A 227 -7.409 -7.329 1.414 1.00 1.22 O ATOM 869 CB ALA A 227 -9.234 -7.419 4.080 1.00 20.11 C ATOM 0 H ALA A 227 -9.436 -9.813 4.274 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.748 -8.064 2.069 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.044 -6.384 3.795 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.255 -7.511 4.451 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.535 -7.714 4.863 1.00 20.11 H new ATOM 875 N GLN A 228 -6.652 -8.891 2.833 1.00 2.11 N ATOM 876 CA GLN A 228 -5.295 -8.878 2.308 1.00 62.54 C ATOM 877 C GLN A 228 -5.229 -9.740 1.052 1.00 60.13 C ATOM 878 O GLN A 228 -4.607 -9.338 0.074 1.00 43.54 O ATOM 879 CB GLN A 228 -4.318 -9.354 3.386 1.00 74.33 C ATOM 880 CG GLN A 228 -4.188 -8.299 4.498 1.00 13.33 C ATOM 881 CD GLN A 228 -3.527 -8.871 5.750 1.00 64.54 C ATOM 882 OE1 GLN A 228 -2.354 -8.649 6.019 1.00 5.12 O ATOM 883 NE2 GLN A 228 -4.281 -9.611 6.549 1.00 5.01 N ATOM 0 H GLN A 228 -6.785 -9.514 3.630 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.007 -7.864 2.031 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.665 -10.297 3.809 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.341 -9.545 2.941 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.603 -7.455 4.132 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.176 -7.915 4.752 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -5.257 -9.787 6.311 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -3.886 -10.005 7.403 1.00 5.01 H new ATOM 892 N LYS A 229 -5.913 -10.891 1.020 1.00 14.24 N ATOM 893 CA LYS A 229 -6.017 -11.706 -0.193 1.00 61.11 C ATOM 894 C LYS A 229 -6.657 -10.934 -1.346 1.00 50.14 C ATOM 895 O LYS A 229 -6.270 -11.157 -2.490 1.00 20.33 O ATOM 896 CB LYS A 229 -6.786 -13.014 0.053 1.00 43.15 C ATOM 897 CG LYS A 229 -5.966 -14.037 0.852 1.00 65.30 C ATOM 898 CD LYS A 229 -6.693 -15.395 0.861 1.00 2.11 C ATOM 899 CE LYS A 229 -5.832 -16.537 1.423 1.00 22.04 C ATOM 900 NZ LYS A 229 -5.714 -16.495 2.893 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.404 -11.279 1.826 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.995 -11.960 -0.474 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.709 -12.794 0.590 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.071 -13.450 -0.905 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.975 -14.147 0.411 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.823 -13.684 1.873 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -7.603 -15.309 1.454 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -6.997 -15.644 -0.156 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -6.264 -17.492 1.125 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -4.837 -16.486 0.982 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.240 -17.358 3.228 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.157 -15.663 3.173 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.662 -16.435 3.316 1.00 4.21 H new ATOM 914 N TRP A 230 -7.563 -9.990 -1.083 1.00 13.20 N ATOM 915 CA TRP A 230 -8.098 -9.110 -2.114 1.00 72.33 C ATOM 916 C TRP A 230 -6.967 -8.368 -2.819 1.00 31.00 C ATOM 917 O TRP A 230 -7.041 -8.186 -4.031 1.00 23.12 O ATOM 918 CB TRP A 230 -9.119 -8.115 -1.529 1.00 34.15 C ATOM 919 CG TRP A 230 -9.343 -6.899 -2.380 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.173 -6.813 -3.443 1.00 14.12 C ATOM 921 CD2 TRP A 230 -8.595 -5.644 -2.364 1.00 53.24 C ATOM 922 NE1 TRP A 230 -9.982 -5.604 -4.082 1.00 24.03 N ATOM 923 CE2 TRP A 230 -8.982 -4.864 -3.490 1.00 13.24 C ATOM 924 CE3 TRP A 230 -7.557 -5.134 -1.558 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -8.366 -3.643 -3.806 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -6.917 -3.920 -1.871 1.00 33.44 C ATOM 927 CH2 TRP A 230 -7.317 -3.177 -2.997 1.00 4.35 C ATOM 0 H TRP A 230 -7.943 -9.818 -0.152 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.620 -9.728 -2.845 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.071 -8.628 -1.388 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.778 -7.798 -0.543 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -10.878 -7.573 -3.746 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -10.517 -5.296 -4.894 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.247 -5.686 -0.683 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -8.694 -3.069 -4.660 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -6.116 -3.557 -1.244 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -6.818 -2.250 -3.239 1.00 4.35 H new ATOM 938 N HIS A 231 -5.906 -7.957 -2.118 1.00 41.52 N ATOM 939 CA HIS A 231 -4.841 -7.176 -2.734 1.00 44.11 C ATOM 940 C HIS A 231 -4.061 -7.986 -3.788 1.00 62.42 C ATOM 941 O HIS A 231 -3.426 -7.388 -4.658 1.00 2.10 O ATOM 942 CB HIS A 231 -3.921 -6.581 -1.649 1.00 73.30 C ATOM 943 CG HIS A 231 -3.103 -5.388 -2.097 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.012 -4.853 -1.439 1.00 54.43 N ATOM 945 CD2 HIS A 231 -3.335 -4.604 -3.198 1.00 54.44 C ATOM 946 CE1 HIS A 231 -1.590 -3.783 -2.130 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.366 -3.598 -3.215 1.00 72.12 N ATOM 0 H HIS A 231 -5.766 -8.154 -1.127 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.297 -6.348 -3.276 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.532 -6.286 -0.796 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -3.242 -7.359 -1.301 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -4.125 -4.740 -3.922 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -0.751 -3.161 -1.856 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -2.265 -2.863 -3.916 1.00 72.12 H new ATOM 955 N LEU A 232 -4.169 -9.323 -3.763 1.00 43.21 N ATOM 956 CA LEU A 232 -3.617 -10.250 -4.761 1.00 54.14 C ATOM 957 C LEU A 232 -4.439 -10.244 -6.070 1.00 63.01 C ATOM 958 O LEU A 232 -4.033 -10.804 -7.086 1.00 33.14 O ATOM 959 CB LEU A 232 -3.633 -11.663 -4.136 1.00 63.34 C ATOM 960 CG LEU A 232 -2.432 -12.589 -4.425 1.00 62.14 C ATOM 961 CD1 LEU A 232 -2.160 -12.853 -5.906 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.164 -12.075 -3.735 1.00 64.32 C ATOM 0 H LEU A 232 -4.665 -9.808 -3.015 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.605 -9.941 -5.022 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.717 -11.551 -3.055 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.536 -12.170 -4.475 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.720 -13.553 -4.006 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.298 -13.513 -6.006 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -3.033 -13.325 -6.358 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.955 -11.910 -6.412 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -0.333 -12.745 -3.955 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -0.930 -11.075 -4.101 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -1.325 -12.038 -2.658 1.00 64.32 H new ATOM 974 N ILE A 233 -5.632 -9.651 -6.050 1.00 20.31 N ATOM 975 CA ILE A 233 -6.624 -9.682 -7.126 1.00 12.23 C ATOM 976 C ILE A 233 -6.844 -8.238 -7.620 1.00 33.40 C ATOM 977 O ILE A 233 -6.849 -7.971 -8.826 1.00 73.01 O ATOM 978 CB ILE A 233 -7.909 -10.372 -6.587 1.00 31.24 C ATOM 979 CG1 ILE A 233 -7.636 -11.796 -6.030 1.00 41.21 C ATOM 980 CG2 ILE A 233 -8.981 -10.462 -7.684 1.00 11.11 C ATOM 981 CD1 ILE A 233 -8.771 -12.353 -5.161 1.00 1.50 C ATOM 0 H ILE A 233 -5.949 -9.110 -5.245 1.00 20.31 H new ATOM 0 HA ILE A 233 -6.294 -10.263 -7.987 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.265 -9.750 -5.766 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.465 -12.475 -6.865 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.718 -11.776 -5.442 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -9.871 -10.948 -7.284 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -9.238 -9.459 -8.025 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -8.596 -11.043 -8.522 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -8.505 -13.350 -4.810 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -8.929 -11.697 -4.305 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -9.687 -12.408 -5.750 1.00 1.50 H new ATOM 993 N LYS A 234 -6.956 -7.296 -6.676 1.00 35.12 N ATOM 994 CA LYS A 234 -7.223 -5.872 -6.816 1.00 65.43 C ATOM 995 C LYS A 234 -8.508 -5.611 -7.595 1.00 71.04 C ATOM 996 O LYS A 234 -9.534 -5.320 -6.977 1.00 11.24 O ATOM 997 CB LYS A 234 -5.990 -5.113 -7.332 1.00 41.01 C ATOM 998 CG LYS A 234 -6.275 -3.606 -7.327 1.00 40.11 C ATOM 999 CD LYS A 234 -5.074 -2.797 -7.803 1.00 52.01 C ATOM 1000 CE LYS A 234 -5.535 -1.343 -7.955 1.00 24.13 C ATOM 1001 NZ LYS A 234 -4.412 -0.422 -8.216 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.849 -7.547 -5.693 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.412 -5.458 -5.825 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -5.126 -5.332 -6.704 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.743 -5.443 -8.341 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -7.131 -3.397 -7.969 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -6.548 -3.292 -6.320 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -4.255 -2.868 -7.087 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -4.702 -3.183 -8.752 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -6.254 -1.276 -8.772 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -6.053 -1.032 -7.048 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -4.774 0.548 -8.311 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -3.738 -0.464 -7.425 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -3.932 -0.700 -9.096 1.00 64.53 H new ATOM 1015 N GLN A 235 -8.469 -5.659 -8.923 1.00 72.02 N ATOM 1016 CA GLN A 235 -9.589 -5.385 -9.780 1.00 11.35 C ATOM 1017 C GLN A 235 -10.621 -6.491 -9.563 1.00 33.24 C ATOM 1018 O GLN A 235 -10.313 -7.581 -9.074 1.00 30.21 O ATOM 1019 CB GLN A 235 -9.071 -5.242 -11.221 1.00 22.32 C ATOM 1020 CG GLN A 235 -10.055 -4.708 -12.271 1.00 50.13 C ATOM 1021 CD GLN A 235 -9.509 -4.982 -13.675 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -10.204 -5.526 -14.528 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -8.242 -4.690 -13.932 1.00 43.20 N ATOM 0 H GLN A 235 -7.622 -5.899 -9.438 1.00 72.02 H new ATOM 0 HA GLN A 235 -10.093 -4.446 -9.553 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -8.204 -4.582 -11.204 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.721 -6.220 -11.553 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -11.027 -5.185 -12.149 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -10.206 -3.638 -12.131 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -7.668 -4.238 -13.220 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -7.841 -4.917 -14.842 1.00 43.20 H new