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 Set 1.1: A 231 HIS : no HE2:sc= 0.772 K(o=1.6,f=-5.3) USER MOD Set 1.2: A 234 LYS NZ :NH3+ 144:sc= 0.875 (180deg=-0.126) USER MOD Set 2.1: A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 235 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.87) USER MOD Single : A 179 GLN : amide:sc= 0.277 K(o=0.28,f=-3.5!) USER MOD Single : A 182 GLN : amide:sc= -0.03 K(o=-0.03,f=-3.2!) USER MOD Single : A 184 THR OG1 : rot -34:sc= 0.335 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot -160:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -65.137 -63.037 -2.113 1.00 42.40 N ATOM 37 CA LEU A 177 -64.444 -61.789 -1.809 1.00 14.14 C ATOM 38 C LEU A 177 -62.932 -61.908 -1.579 1.00 25.25 C ATOM 39 O LEU A 177 -62.441 -62.252 -0.501 1.00 72.32 O ATOM 40 CB LEU A 177 -65.164 -61.094 -0.645 1.00 62.05 C ATOM 41 CG LEU A 177 -65.160 -59.550 -0.664 1.00 74.24 C ATOM 42 CD1 LEU A 177 -63.764 -58.929 -0.802 1.00 32.31 C ATOM 43 CD2 LEU A 177 -66.072 -59.004 -1.772 1.00 21.13 C ATOM 0 HA LEU A 177 -64.498 -61.173 -2.707 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -66.200 -61.434 -0.631 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -64.707 -61.426 0.287 1.00 62.05 H new ATOM 0 HG LEU A 177 -65.543 -59.257 0.313 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -63.848 -57.842 -0.807 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -63.142 -59.241 0.037 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -63.308 -59.262 -1.734 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -66.048 -57.914 -1.759 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -65.724 -59.364 -2.740 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -67.093 -59.346 -1.604 1.00 21.13 H new ATOM 55 N ARG A 178 -62.189 -61.540 -2.620 1.00 24.30 N ATOM 56 CA ARG A 178 -60.741 -61.368 -2.609 1.00 3.45 C ATOM 57 C ARG A 178 -60.393 -60.199 -3.527 1.00 25.42 C ATOM 58 O ARG A 178 -61.056 -60.027 -4.551 1.00 34.30 O ATOM 59 CB ARG A 178 -60.062 -62.674 -3.079 1.00 73.44 C ATOM 60 CG ARG A 178 -60.200 -62.918 -4.596 1.00 23.23 C ATOM 61 CD ARG A 178 -59.791 -64.329 -5.040 1.00 61.32 C ATOM 62 NE ARG A 178 -60.949 -65.232 -5.203 1.00 43.12 N ATOM 63 CZ ARG A 178 -61.806 -65.241 -6.238 1.00 4.41 C ATOM 64 NH1 ARG A 178 -61.736 -64.309 -7.190 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -62.739 -66.187 -6.319 1.00 63.23 N ATOM 0 H ARG A 178 -62.599 -61.345 -3.533 1.00 24.30 H new ATOM 0 HA ARG A 178 -60.382 -61.151 -1.603 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -59.004 -62.641 -2.818 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -60.497 -63.516 -2.541 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -61.235 -62.741 -4.890 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -59.589 -62.189 -5.128 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -59.249 -64.266 -5.983 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -59.105 -64.752 -4.306 1.00 61.32 H new ATOM 0 HE ARG A 178 -61.113 -65.912 -4.461 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -61.026 -63.579 -7.137 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -62.392 -64.327 -7.971 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -62.803 -66.904 -5.596 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -63.390 -66.195 -7.104 1.00 63.23 H new ATOM 79 N GLN A 179 -59.331 -59.461 -3.223 1.00 24.00 N ATOM 80 CA GLN A 179 -58.627 -58.638 -4.197 1.00 3.32 C ATOM 81 C GLN A 179 -57.821 -59.571 -5.111 1.00 35.51 C ATOM 82 O GLN A 179 -57.455 -60.681 -4.709 1.00 2.32 O ATOM 83 CB GLN A 179 -57.670 -57.668 -3.473 1.00 52.52 C ATOM 84 CG GLN A 179 -58.347 -56.559 -2.645 1.00 55.30 C ATOM 85 CD GLN A 179 -59.051 -57.020 -1.363 1.00 71.53 C ATOM 86 OE1 GLN A 179 -58.808 -58.102 -0.835 1.00 14.25 O ATOM 87 NE2 GLN A 179 -59.955 -56.211 -0.835 1.00 3.14 N ATOM 0 H GLN A 179 -58.932 -59.417 -2.285 1.00 24.00 H new ATOM 0 HA GLN A 179 -59.338 -58.053 -4.780 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -57.025 -58.248 -2.812 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -57.025 -57.199 -4.217 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -57.592 -55.820 -2.377 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -59.078 -56.054 -3.277 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -60.155 -55.313 -1.275 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -60.452 -56.485 0.012 1.00 3.14 H new ATOM 96 N ARG A 180 -57.484 -59.120 -6.322 1.00 65.05 N ATOM 97 CA ARG A 180 -56.400 -59.663 -7.139 1.00 64.25 C ATOM 98 C ARG A 180 -56.033 -58.592 -8.167 1.00 43.03 C ATOM 99 O ARG A 180 -56.804 -57.657 -8.370 1.00 61.12 O ATOM 100 CB ARG A 180 -56.812 -60.994 -7.813 1.00 54.40 C ATOM 101 CG ARG A 180 -55.978 -62.194 -7.326 1.00 40.31 C ATOM 102 CD ARG A 180 -54.532 -62.167 -7.846 1.00 25.33 C ATOM 103 NE ARG A 180 -53.742 -63.300 -7.324 1.00 63.12 N ATOM 104 CZ ARG A 180 -52.624 -63.811 -7.862 1.00 4.44 C ATOM 105 NH1 ARG A 180 -52.120 -63.314 -8.992 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -52.009 -64.829 -7.263 1.00 74.54 N ATOM 0 H ARG A 180 -57.972 -58.346 -6.772 1.00 65.05 H new ATOM 0 HA ARG A 180 -55.535 -59.902 -6.520 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -57.866 -61.186 -7.614 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -56.704 -60.897 -8.893 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -55.967 -62.204 -6.236 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -56.458 -63.118 -7.648 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -54.537 -62.198 -8.936 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -54.059 -61.229 -7.556 1.00 25.33 H new ATOM 0 HE ARG A 180 -54.080 -63.739 -6.468 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -52.585 -62.535 -9.459 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -51.269 -63.712 -9.390 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -52.388 -65.217 -6.399 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -51.159 -65.221 -7.668 1.00 74.54 H new ATOM 120 N LEU A 181 -54.894 -58.784 -8.839 1.00 42.44 N ATOM 121 CA LEU A 181 -54.198 -57.761 -9.615 1.00 73.23 C ATOM 122 C LEU A 181 -53.892 -56.539 -8.733 1.00 71.21 C ATOM 123 O LEU A 181 -54.001 -56.617 -7.507 1.00 74.14 O ATOM 124 CB LEU A 181 -54.947 -57.425 -10.922 1.00 33.22 C ATOM 125 CG LEU A 181 -53.971 -57.007 -12.048 1.00 33.35 C ATOM 126 CD1 LEU A 181 -53.691 -58.182 -12.992 1.00 5.21 C ATOM 127 CD2 LEU A 181 -54.519 -55.808 -12.816 1.00 70.12 C ATOM 0 H LEU A 181 -54.418 -59.686 -8.856 1.00 42.44 H new ATOM 0 HA LEU A 181 -53.235 -58.155 -9.941 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -55.525 -58.292 -11.244 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -55.657 -56.619 -10.738 1.00 33.22 H new ATOM 0 HG LEU A 181 -53.026 -56.714 -11.590 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -53.003 -57.864 -13.775 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -53.246 -59.003 -12.429 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -54.625 -58.516 -13.444 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -53.819 -55.529 -13.603 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -55.480 -56.069 -13.260 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -54.651 -54.968 -12.134 1.00 70.12 H new ATOM 139 N GLN A 182 -53.427 -55.446 -9.339 1.00 62.31 N ATOM 140 CA GLN A 182 -52.921 -54.264 -8.665 1.00 40.10 C ATOM 141 C GLN A 182 -52.966 -53.101 -9.663 1.00 63.11 C ATOM 142 O GLN A 182 -51.942 -52.554 -10.037 1.00 12.30 O ATOM 143 CB GLN A 182 -51.505 -54.549 -8.113 1.00 72.53 C ATOM 144 CG GLN A 182 -50.483 -55.060 -9.154 1.00 23.40 C ATOM 145 CD GLN A 182 -50.136 -56.540 -8.988 1.00 41.05 C ATOM 146 OE1 GLN A 182 -50.930 -57.434 -9.265 1.00 54.13 O ATOM 147 NE2 GLN A 182 -48.927 -56.842 -8.544 1.00 22.23 N ATOM 0 H GLN A 182 -53.394 -55.363 -10.355 1.00 62.31 H new ATOM 0 HA GLN A 182 -53.532 -53.992 -7.804 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -51.116 -53.635 -7.665 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -51.585 -55.286 -7.314 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -50.883 -54.898 -10.155 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -49.570 -54.469 -9.076 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -48.268 -56.098 -8.314 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -48.654 -57.818 -8.432 1.00 22.23 H new ATOM 156 N ASP A 183 -54.153 -52.745 -10.140 1.00 20.03 N ATOM 157 CA ASP A 183 -54.336 -51.860 -11.301 1.00 43.12 C ATOM 158 C ASP A 183 -54.160 -50.393 -10.940 1.00 32.23 C ATOM 159 O ASP A 183 -53.835 -49.535 -11.751 1.00 34.24 O ATOM 160 CB ASP A 183 -55.738 -52.098 -11.874 1.00 20.31 C ATOM 161 CG ASP A 183 -55.848 -51.600 -13.311 1.00 12.13 C ATOM 162 OD1 ASP A 183 -55.086 -52.142 -14.142 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -56.736 -50.756 -13.556 1.00 22.45 O ATOM 0 H ASP A 183 -55.032 -53.063 -9.731 1.00 20.03 H new ATOM 0 HA ASP A 183 -53.571 -52.096 -12.041 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -55.971 -53.162 -11.838 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -56.476 -51.589 -11.254 1.00 20.31 H new ATOM 168 N THR A 184 -54.215 -50.139 -9.642 1.00 51.30 N ATOM 169 CA THR A 184 -54.016 -48.835 -9.057 1.00 22.11 C ATOM 170 C THR A 184 -52.540 -48.409 -9.098 1.00 53.13 C ATOM 171 O THR A 184 -52.243 -47.282 -8.701 1.00 71.31 O ATOM 172 CB THR A 184 -54.626 -48.838 -7.640 1.00 3.31 C ATOM 173 OG1 THR A 184 -54.587 -47.556 -7.056 1.00 25.41 O ATOM 174 CG2 THR A 184 -53.956 -49.838 -6.684 1.00 51.10 C ATOM 0 H THR A 184 -54.406 -50.863 -8.949 1.00 51.30 H new ATOM 0 HA THR A 184 -54.532 -48.076 -9.645 1.00 22.11 H new ATOM 0 HB THR A 184 -55.660 -49.152 -7.782 1.00 3.31 H new ATOM 0 HG1 THR A 184 -53.780 -47.085 -7.353 1.00 25.41 H new ATOM 0 HG21 THR A 184 -54.436 -49.785 -5.707 1.00 51.10 H new ATOM 0 HG22 THR A 184 -54.057 -50.847 -7.084 1.00 51.10 H new ATOM 0 HG23 THR A 184 -52.899 -49.592 -6.583 1.00 51.10 H new ATOM 182 N VAL A 185 -51.612 -49.269 -9.535 1.00 43.51 N ATOM 183 CA VAL A 185 -50.171 -48.950 -9.507 1.00 73.04 C ATOM 184 C VAL A 185 -49.711 -47.942 -10.585 1.00 11.42 C ATOM 185 O VAL A 185 -48.506 -47.797 -10.799 1.00 54.52 O ATOM 186 CB VAL A 185 -49.320 -50.235 -9.509 1.00 23.54 C ATOM 187 CG1 VAL A 185 -49.645 -51.105 -8.281 1.00 72.43 C ATOM 188 CG2 VAL A 185 -49.398 -51.007 -10.837 1.00 23.12 C ATOM 0 H VAL A 185 -51.828 -50.191 -9.913 1.00 43.51 H new ATOM 0 HA VAL A 185 -50.005 -48.428 -8.565 1.00 73.04 H new ATOM 0 HB VAL A 185 -48.275 -49.936 -9.426 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -49.033 -52.007 -8.302 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -49.433 -50.544 -7.371 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -50.699 -51.381 -8.299 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -48.778 -51.901 -10.775 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -50.431 -51.295 -11.030 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -49.040 -50.373 -11.648 1.00 23.12 H new ATOM 198 N GLY A 186 -50.627 -47.254 -11.276 1.00 64.11 N ATOM 199 CA GLY A 186 -50.338 -46.287 -12.331 1.00 14.24 C ATOM 200 C GLY A 186 -49.648 -45.021 -11.810 1.00 62.45 C ATOM 201 O GLY A 186 -50.271 -43.964 -11.718 1.00 21.23 O ATOM 0 H GLY A 186 -51.627 -47.363 -11.106 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -49.704 -46.757 -13.083 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -51.268 -46.009 -12.827 1.00 14.24 H new ATOM 205 N LEU A 187 -48.365 -45.114 -11.458 1.00 72.41 N ATOM 206 CA LEU A 187 -47.508 -44.001 -11.056 1.00 12.03 C ATOM 207 C LEU A 187 -46.898 -43.377 -12.307 1.00 61.21 C ATOM 208 O LEU A 187 -46.214 -44.066 -13.065 1.00 12.43 O ATOM 209 CB LEU A 187 -46.390 -44.501 -10.115 1.00 63.55 C ATOM 210 CG LEU A 187 -46.705 -44.422 -8.609 1.00 32.34 C ATOM 211 CD1 LEU A 187 -46.802 -42.971 -8.126 1.00 15.23 C ATOM 212 CD2 LEU A 187 -47.963 -45.207 -8.218 1.00 11.21 C ATOM 0 H LEU A 187 -47.874 -46.008 -11.445 1.00 72.41 H new ATOM 0 HA LEU A 187 -48.099 -43.257 -10.521 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -46.163 -45.537 -10.367 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -45.488 -43.921 -10.311 1.00 63.55 H new ATOM 0 HG LEU A 187 -45.864 -44.897 -8.104 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -47.025 -42.957 -7.059 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -45.854 -42.464 -8.305 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -47.596 -42.459 -8.670 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -48.132 -45.113 -7.145 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -48.823 -44.809 -8.757 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -47.830 -46.258 -8.473 1.00 11.21 H new ATOM 674 N MET A 214 -10.586 -2.788 -11.743 1.00 0.24 N ATOM 675 CA MET A 214 -10.082 -2.238 -10.485 1.00 32.05 C ATOM 676 C MET A 214 -11.185 -2.134 -9.421 1.00 23.33 C ATOM 677 O MET A 214 -11.463 -1.036 -8.935 1.00 53.34 O ATOM 678 CB MET A 214 -9.415 -0.866 -10.727 1.00 13.22 C ATOM 679 CG MET A 214 -8.338 -0.864 -11.809 1.00 41.51 C ATOM 680 SD MET A 214 -7.575 0.752 -12.108 1.00 21.51 S ATOM 681 CE MET A 214 -6.482 0.881 -10.672 1.00 63.42 C ATOM 0 HA MET A 214 -9.331 -2.928 -10.099 1.00 32.05 H new ATOM 0 HB2 MET A 214 -10.186 -0.145 -10.999 1.00 13.22 H new ATOM 0 HB3 MET A 214 -8.973 -0.522 -9.792 1.00 13.22 H new ATOM 0 HG2 MET A 214 -7.559 -1.573 -11.529 1.00 41.51 H new ATOM 0 HG3 MET A 214 -8.776 -1.223 -12.740 1.00 41.51 H new ATOM 0 HE1 MET A 214 -5.940 1.826 -10.711 1.00 63.42 H new ATOM 0 HE2 MET A 214 -7.075 0.840 -9.758 1.00 63.42 H new ATOM 0 HE3 MET A 214 -5.771 0.054 -10.680 1.00 63.42 H new ATOM 691 N LEU A 215 -11.782 -3.273 -9.045 1.00 34.21 N ATOM 692 CA LEU A 215 -12.972 -3.328 -8.195 1.00 73.12 C ATOM 693 C LEU A 215 -12.876 -2.417 -6.978 1.00 63.53 C ATOM 694 O LEU A 215 -11.822 -2.301 -6.351 1.00 4.22 O ATOM 695 CB LEU A 215 -13.249 -4.776 -7.769 1.00 11.32 C ATOM 696 CG LEU A 215 -14.327 -4.934 -6.673 1.00 5.51 C ATOM 697 CD1 LEU A 215 -15.064 -6.249 -6.869 1.00 20.01 C ATOM 698 CD2 LEU A 215 -13.743 -4.900 -5.250 1.00 75.40 C ATOM 0 H LEU A 215 -11.445 -4.193 -9.328 1.00 34.21 H new ATOM 0 HA LEU A 215 -13.807 -2.958 -8.790 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -13.556 -5.345 -8.646 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -12.319 -5.219 -7.411 1.00 11.32 H new ATOM 0 HG LEU A 215 -15.005 -4.086 -6.772 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -15.824 -6.359 -6.095 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -15.540 -6.256 -7.849 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -14.357 -7.076 -6.803 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -14.547 -5.016 -4.524 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -13.027 -5.713 -5.131 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -13.240 -3.947 -5.086 1.00 75.40 H new ATOM 710 N GLU A 216 -14.020 -1.877 -6.573 1.00 42.34 N ATOM 711 CA GLU A 216 -14.110 -0.812 -5.590 1.00 21.22 C ATOM 712 C GLU A 216 -15.113 -1.094 -4.463 1.00 61.20 C ATOM 713 O GLU A 216 -15.688 -0.176 -3.881 1.00 11.33 O ATOM 714 CB GLU A 216 -14.385 0.509 -6.337 1.00 25.21 C ATOM 715 CG GLU A 216 -15.759 0.487 -7.029 1.00 54.02 C ATOM 716 CD GLU A 216 -16.041 1.751 -7.828 1.00 1.13 C ATOM 717 OE1 GLU A 216 -16.175 2.833 -7.210 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -16.217 1.625 -9.060 1.00 13.22 O ATOM 0 H GLU A 216 -14.928 -2.176 -6.928 1.00 42.34 H new ATOM 0 HA GLU A 216 -13.159 -0.737 -5.063 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -14.343 1.341 -5.635 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -13.605 0.678 -7.079 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -15.812 -0.376 -7.693 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -16.537 0.358 -6.277 1.00 54.02 H new ATOM 725 N LYS A 217 -15.322 -2.363 -4.110 1.00 71.23 N ATOM 726 CA LYS A 217 -16.333 -2.792 -3.146 1.00 24.12 C ATOM 727 C LYS A 217 -15.703 -3.782 -2.172 1.00 41.53 C ATOM 728 O LYS A 217 -15.737 -4.991 -2.408 1.00 65.12 O ATOM 729 CB LYS A 217 -17.510 -3.347 -3.959 1.00 63.53 C ATOM 730 CG LYS A 217 -18.806 -3.591 -3.169 1.00 33.31 C ATOM 731 CD LYS A 217 -19.884 -3.936 -4.204 1.00 21.23 C ATOM 732 CE LYS A 217 -21.295 -4.130 -3.642 1.00 11.23 C ATOM 733 NZ LYS A 217 -22.290 -4.042 -4.732 1.00 34.23 N1+ ATOM 0 H LYS A 217 -14.781 -3.137 -4.495 1.00 71.23 H new ATOM 0 HA LYS A 217 -16.714 -1.982 -2.524 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -17.726 -2.654 -4.772 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -17.202 -4.287 -4.416 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -18.678 -4.405 -2.455 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -19.085 -2.706 -2.597 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -19.914 -3.142 -4.950 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -19.588 -4.849 -4.721 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -21.369 -5.099 -3.149 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -21.502 -3.371 -2.887 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -23.245 -4.175 -4.342 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -22.228 -3.108 -5.184 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -22.098 -4.782 -5.438 1.00 34.23 H new ATOM 747 N CYS A 218 -15.065 -3.280 -1.112 1.00 72.34 N ATOM 748 CA CYS A 218 -14.363 -4.098 -0.123 1.00 52.25 C ATOM 749 C CYS A 218 -14.935 -3.809 1.272 1.00 53.24 C ATOM 750 O CYS A 218 -14.266 -3.177 2.086 1.00 3.44 O ATOM 751 CB CYS A 218 -12.843 -3.876 -0.222 1.00 41.44 C ATOM 752 SG CYS A 218 -11.965 -5.053 0.854 1.00 24.22 S ATOM 0 H CYS A 218 -15.022 -2.280 -0.915 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.523 -5.157 -0.323 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.516 -4.002 -1.254 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.598 -2.854 0.068 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.684 -4.855 0.759 1.00 24.22 H new ATOM 758 N PRO A 219 -16.156 -4.276 1.575 1.00 2.24 N ATOM 759 CA PRO A 219 -16.766 -4.179 2.897 1.00 23.03 C ATOM 760 C PRO A 219 -16.169 -5.167 3.914 1.00 53.55 C ATOM 761 O PRO A 219 -16.653 -5.223 5.044 1.00 51.44 O ATOM 762 CB PRO A 219 -18.257 -4.423 2.667 1.00 13.32 C ATOM 763 CG PRO A 219 -18.258 -5.387 1.493 1.00 34.20 C ATOM 764 CD PRO A 219 -17.094 -4.889 0.648 1.00 63.34 C ATOM 0 HA PRO A 219 -16.575 -3.202 3.342 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.737 -4.854 3.545 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -18.788 -3.500 2.434 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -18.112 -6.418 1.816 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -19.199 -5.355 0.944 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -16.626 -5.711 0.106 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.433 -4.169 -0.097 1.00 63.34 H new ATOM 772 N PHE A 220 -15.239 -6.048 3.519 1.00 52.33 N ATOM 773 CA PHE A 220 -14.439 -6.776 4.487 1.00 13.33 C ATOM 774 C PHE A 220 -13.512 -5.769 5.188 1.00 31.11 C ATOM 775 O PHE A 220 -13.035 -4.841 4.533 1.00 61.21 O ATOM 776 CB PHE A 220 -13.629 -7.880 3.787 1.00 12.53 C ATOM 777 CG PHE A 220 -14.448 -9.052 3.274 1.00 53.04 C ATOM 778 CD1 PHE A 220 -15.369 -9.704 4.118 1.00 11.32 C ATOM 779 CD2 PHE A 220 -14.253 -9.529 1.963 1.00 43.24 C ATOM 780 CE1 PHE A 220 -16.114 -10.799 3.648 1.00 35.04 C ATOM 781 CE2 PHE A 220 -14.987 -10.636 1.502 1.00 24.41 C ATOM 782 CZ PHE A 220 -15.924 -11.266 2.337 1.00 24.35 C ATOM 0 H PHE A 220 -15.031 -6.265 2.544 1.00 52.33 H new ATOM 0 HA PHE A 220 -15.079 -7.261 5.224 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -13.091 -7.438 2.949 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.880 -8.257 4.484 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.503 -9.360 5.133 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -13.540 -9.045 1.312 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -16.832 -11.281 4.295 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -14.829 -11.004 0.499 1.00 24.41 H new ATOM 0 HZ PHE A 220 -16.496 -12.106 1.973 1.00 24.35 H new ATOM 792 N PRO A 221 -13.244 -5.962 6.486 1.00 52.42 N ATOM 793 CA PRO A 221 -12.546 -5.011 7.335 1.00 64.02 C ATOM 794 C PRO A 221 -11.038 -5.001 7.094 1.00 52.52 C ATOM 795 O PRO A 221 -10.466 -5.902 6.470 1.00 61.24 O ATOM 796 CB PRO A 221 -12.857 -5.475 8.766 1.00 3.32 C ATOM 797 CG PRO A 221 -13.001 -6.982 8.616 1.00 31.34 C ATOM 798 CD PRO A 221 -13.726 -7.072 7.276 1.00 13.23 C ATOM 0 HA PRO A 221 -12.873 -3.991 7.131 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.056 -5.213 9.458 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -13.770 -5.019 9.148 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.036 -7.489 8.598 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.578 -7.424 9.428 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.517 -8.021 6.783 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.806 -7.014 7.412 1.00 13.23 H new ATOM 806 N ALA A 222 -10.378 -4.028 7.719 1.00 15.10 N ATOM 807 CA ALA A 222 -8.934 -3.896 7.851 1.00 33.50 C ATOM 808 C ALA A 222 -8.339 -4.911 8.844 1.00 45.31 C ATOM 809 O ALA A 222 -7.407 -4.580 9.580 1.00 5.14 O ATOM 810 CB ALA A 222 -8.630 -2.449 8.268 1.00 54.51 C ATOM 0 H ALA A 222 -10.873 -3.262 8.176 1.00 15.10 H new ATOM 0 HA ALA A 222 -8.462 -4.118 6.894 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.553 -2.320 8.375 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.004 -1.765 7.506 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.117 -2.234 9.219 1.00 54.51 H new ATOM 816 N GLY A 223 -8.874 -6.129 8.910 1.00 72.54 N ATOM 817 CA GLY A 223 -8.343 -7.227 9.710 1.00 54.34 C ATOM 818 C GLY A 223 -8.812 -8.595 9.226 1.00 13.20 C ATOM 819 O GLY A 223 -9.025 -9.483 10.054 1.00 13.51 O ATOM 0 H GLY A 223 -9.714 -6.385 8.392 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -7.254 -7.193 9.687 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.644 -7.092 10.749 1.00 54.34 H new ATOM 823 N SER A 224 -9.043 -8.782 7.926 1.00 12.10 N ATOM 824 CA SER A 224 -9.462 -10.047 7.331 1.00 32.34 C ATOM 825 C SER A 224 -8.450 -10.437 6.256 1.00 62.33 C ATOM 826 O SER A 224 -8.205 -9.662 5.329 1.00 52.54 O ATOM 827 CB SER A 224 -10.853 -9.913 6.700 1.00 2.20 C ATOM 828 OG SER A 224 -11.923 -9.876 7.628 1.00 61.34 O ATOM 0 H SER A 224 -8.940 -8.034 7.240 1.00 12.10 H new ATOM 0 HA SER A 224 -9.509 -10.812 8.106 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.879 -9.003 6.100 1.00 2.20 H new ATOM 0 HB3 SER A 224 -11.010 -10.749 6.018 1.00 2.20 H new ATOM 0 HG SER A 224 -12.759 -10.107 7.172 1.00 61.34 H new ATOM 834 N ASP A 225 -7.950 -11.674 6.321 1.00 61.25 N ATOM 835 CA ASP A 225 -7.145 -12.317 5.272 1.00 53.22 C ATOM 836 C ASP A 225 -7.794 -12.113 3.903 1.00 11.51 C ATOM 837 O ASP A 225 -7.125 -11.726 2.949 1.00 20.21 O ATOM 838 CB ASP A 225 -7.034 -13.818 5.573 1.00 65.42 C ATOM 839 CG ASP A 225 -6.128 -14.561 4.595 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.914 -14.660 4.882 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -6.638 -15.155 3.622 1.00 40.32 O ATOM 0 H ASP A 225 -8.098 -12.277 7.130 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.152 -11.868 5.257 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.653 -13.952 6.585 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.029 -14.262 5.546 1.00 65.42 H new ATOM 846 N LEU A 226 -9.124 -12.259 3.860 1.00 65.13 N ATOM 847 CA LEU A 226 -9.993 -12.028 2.709 1.00 13.44 C ATOM 848 C LEU A 226 -9.655 -10.722 2.001 1.00 72.23 C ATOM 849 O LEU A 226 -9.463 -10.699 0.782 1.00 44.25 O ATOM 850 CB LEU A 226 -11.465 -11.970 3.159 1.00 21.33 C ATOM 851 CG LEU A 226 -12.020 -13.304 3.683 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.225 -13.062 4.598 1.00 2.14 C ATOM 853 CD2 LEU A 226 -12.431 -14.207 2.521 1.00 31.03 C ATOM 0 H LEU A 226 -9.650 -12.560 4.680 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.837 -12.856 2.017 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.564 -11.217 3.941 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -12.077 -11.640 2.319 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.233 -13.797 4.254 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.605 -14.017 4.960 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -12.921 -12.448 5.446 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -14.008 -12.548 4.040 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.822 -15.147 2.911 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -13.201 -13.711 1.930 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -11.564 -14.408 1.892 1.00 31.03 H new ATOM 865 N ALA A 227 -9.635 -9.629 2.766 1.00 33.13 N ATOM 866 CA ALA A 227 -9.498 -8.280 2.255 1.00 31.51 C ATOM 867 C ALA A 227 -8.092 -8.040 1.711 1.00 61.32 C ATOM 868 O ALA A 227 -7.929 -7.228 0.799 1.00 1.22 O ATOM 869 CB ALA A 227 -9.801 -7.281 3.377 1.00 20.11 C ATOM 0 H ALA A 227 -9.716 -9.667 3.782 1.00 33.13 H new ATOM 0 HA ALA A 227 -10.205 -8.143 1.436 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.699 -6.265 2.997 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.819 -7.434 3.735 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -9.101 -7.433 4.198 1.00 20.11 H new ATOM 875 N GLN A 228 -7.072 -8.696 2.276 1.00 2.11 N ATOM 876 CA GLN A 228 -5.694 -8.537 1.837 1.00 62.54 C ATOM 877 C GLN A 228 -5.407 -9.434 0.631 1.00 60.13 C ATOM 878 O GLN A 228 -4.869 -8.952 -0.366 1.00 43.54 O ATOM 879 CB GLN A 228 -4.734 -8.752 3.024 1.00 74.33 C ATOM 880 CG GLN A 228 -3.623 -7.690 2.992 1.00 13.33 C ATOM 881 CD GLN A 228 -2.906 -7.517 4.331 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.757 -7.924 4.486 1.00 5.12 O ATOM 883 NE2 GLN A 228 -3.539 -6.869 5.295 1.00 5.01 N ATOM 0 H GLN A 228 -7.186 -9.351 3.050 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.527 -7.517 1.491 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -5.283 -8.690 3.964 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -4.298 -9.750 2.975 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -2.893 -7.963 2.230 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -4.053 -6.734 2.693 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -4.493 -6.539 5.147 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -3.073 -6.699 6.186 1.00 5.01 H new ATOM 892 N LYS A 229 -5.846 -10.700 0.657 1.00 14.24 N ATOM 893 CA LYS A 229 -5.747 -11.590 -0.499 1.00 61.11 C ATOM 894 C LYS A 229 -6.472 -11.025 -1.720 1.00 50.14 C ATOM 895 O LYS A 229 -6.039 -11.287 -2.839 1.00 20.33 O ATOM 896 CB LYS A 229 -6.267 -12.998 -0.179 1.00 43.15 C ATOM 897 CG LYS A 229 -5.189 -13.878 0.474 1.00 65.30 C ATOM 898 CD LYS A 229 -5.582 -15.361 0.484 1.00 2.11 C ATOM 899 CE LYS A 229 -5.638 -15.961 -0.926 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.103 -17.361 -0.936 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.276 -11.130 1.476 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.686 -11.663 -0.740 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.126 -12.924 0.487 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.615 -13.473 -1.096 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.248 -13.756 -0.063 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.018 -13.542 1.497 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -4.865 -15.920 1.085 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -6.555 -15.473 0.962 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -6.302 -15.358 -1.546 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -4.647 -15.909 -1.377 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -6.121 -17.714 -1.914 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.456 -17.946 -0.369 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -7.060 -17.412 -0.532 1.00 4.21 H new ATOM 914 N TRP A 230 -7.517 -10.214 -1.539 1.00 13.20 N ATOM 915 CA TRP A 230 -8.137 -9.536 -2.665 1.00 72.33 C ATOM 916 C TRP A 230 -7.134 -8.649 -3.409 1.00 31.00 C ATOM 917 O TRP A 230 -7.056 -8.733 -4.636 1.00 23.12 O ATOM 918 CB TRP A 230 -9.366 -8.734 -2.209 1.00 34.15 C ATOM 919 CG TRP A 230 -9.781 -7.639 -3.145 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.501 -7.793 -4.277 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.410 -6.229 -3.103 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.577 -6.591 -4.948 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.949 -5.583 -4.250 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.647 -5.436 -2.223 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.766 -4.214 -4.487 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.454 -4.060 -2.449 1.00 33.44 C ATOM 927 CH2 TRP A 230 -9.020 -3.444 -3.579 1.00 4.35 C ATOM 0 H TRP A 230 -7.943 -10.016 -0.633 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.475 -10.297 -3.368 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.203 -9.420 -2.080 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.157 -8.299 -1.232 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -10.950 -8.718 -4.607 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.040 -6.464 -5.848 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -8.199 -5.895 -1.354 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.196 -3.753 -5.364 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -7.870 -3.476 -1.753 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -8.882 -2.386 -3.748 1.00 4.35 H new ATOM 938 N HIS A 231 -6.370 -7.810 -2.697 1.00 41.52 N ATOM 939 CA HIS A 231 -5.426 -6.902 -3.343 1.00 44.11 C ATOM 940 C HIS A 231 -4.312 -7.688 -4.043 1.00 62.42 C ATOM 941 O HIS A 231 -3.809 -7.256 -5.081 1.00 2.10 O ATOM 942 CB HIS A 231 -4.843 -5.905 -2.333 1.00 73.30 C ATOM 943 CG HIS A 231 -3.976 -4.880 -3.021 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.617 -4.979 -3.220 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.420 -3.786 -3.713 1.00 54.44 C ATOM 946 CE1 HIS A 231 -2.252 -3.973 -4.031 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.313 -3.200 -4.346 1.00 72.12 N ATOM 0 H HIS A 231 -6.390 -7.745 -1.679 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.967 -6.333 -4.099 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -5.653 -5.404 -1.803 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.256 -6.440 -1.586 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -2.000 -5.688 -2.823 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -5.440 -3.436 -3.763 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -1.245 -3.805 -4.384 1.00 44.02 H new ATOM 955 N LEU A 232 -3.981 -8.872 -3.523 1.00 43.21 N ATOM 956 CA LEU A 232 -3.052 -9.812 -4.138 1.00 54.14 C ATOM 957 C LEU A 232 -3.434 -10.097 -5.587 1.00 63.01 C ATOM 958 O LEU A 232 -2.559 -10.182 -6.445 1.00 33.14 O ATOM 959 CB LEU A 232 -3.067 -11.132 -3.351 1.00 63.34 C ATOM 960 CG LEU A 232 -1.662 -11.708 -3.117 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.959 -10.965 -1.978 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.762 -13.196 -2.766 1.00 64.32 C ATOM 0 H LEU A 232 -4.364 -9.209 -2.639 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.057 -9.368 -4.120 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.552 -10.969 -2.388 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.668 -11.864 -3.891 1.00 63.34 H new ATOM 0 HG LEU A 232 -1.082 -11.584 -4.032 1.00 62.14 H new ATOM 0 HD11 LEU A 232 0.035 -11.387 -1.827 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.870 -9.909 -2.233 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -1.541 -11.069 -1.062 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -0.763 -13.599 -2.601 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.356 -13.317 -1.860 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.239 -13.732 -3.587 1.00 64.32 H new ATOM 974 N ILE A 233 -4.731 -10.274 -5.850 1.00 20.31 N ATOM 975 CA ILE A 233 -5.251 -10.622 -7.168 1.00 12.23 C ATOM 976 C ILE A 233 -5.549 -9.353 -7.967 1.00 33.40 C ATOM 977 O ILE A 233 -5.225 -9.289 -9.156 1.00 73.01 O ATOM 978 CB ILE A 233 -6.477 -11.553 -7.015 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.170 -12.793 -6.139 1.00 41.21 C ATOM 980 CG2 ILE A 233 -6.999 -12.009 -8.386 1.00 11.11 C ATOM 981 CD1 ILE A 233 -4.849 -13.505 -6.471 1.00 1.50 C ATOM 0 H ILE A 233 -5.458 -10.177 -5.141 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.503 -11.175 -7.736 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.246 -10.967 -6.512 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.148 -12.485 -5.094 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.987 -13.506 -6.244 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.861 -12.662 -8.248 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.294 -11.138 -8.971 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.213 -12.551 -8.913 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -4.720 -14.360 -5.807 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -4.871 -13.849 -7.505 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -4.018 -12.812 -6.336 1.00 1.50 H new ATOM 993 N LYS A 234 -6.087 -8.312 -7.318 1.00 35.12 N ATOM 994 CA LYS A 234 -6.353 -7.025 -7.944 1.00 65.43 C ATOM 995 C LYS A 234 -7.249 -7.200 -9.178 1.00 71.04 C ATOM 996 O LYS A 234 -8.127 -8.069 -9.203 1.00 11.24 O ATOM 997 CB LYS A 234 -5.014 -6.311 -8.191 1.00 41.01 C ATOM 998 CG LYS A 234 -5.177 -4.815 -7.951 1.00 40.11 C ATOM 999 CD LYS A 234 -3.950 -4.036 -8.426 1.00 52.01 C ATOM 1000 CE LYS A 234 -4.253 -2.546 -8.295 1.00 24.13 C ATOM 1001 NZ LYS A 234 -4.360 -2.127 -6.881 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.350 -8.348 -6.333 1.00 35.12 H new ATOM 0 HA LYS A 234 -6.929 -6.371 -7.289 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -4.248 -6.714 -7.528 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -4.678 -6.491 -9.212 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -6.063 -4.456 -8.474 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -5.338 -4.631 -6.889 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -3.077 -4.301 -7.829 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -3.717 -4.287 -9.461 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -3.467 -1.971 -8.785 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -5.185 -2.318 -8.813 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -3.967 -1.170 -6.772 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -5.360 -2.126 -6.594 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -3.829 -2.790 -6.281 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.155 -6.275 -10.126 1.00 72.02 N ATOM 1016 CA GLN A 235 -7.771 -6.298 -11.442 1.00 11.35 C ATOM 1017 C GLN A 235 -7.115 -7.392 -12.313 1.00 33.24 C ATOM 1018 O GLN A 235 -6.316 -7.076 -13.197 1.00 30.21 O ATOM 1019 CB GLN A 235 -7.622 -4.907 -12.093 1.00 22.32 C ATOM 1020 CG GLN A 235 -6.242 -4.254 -11.836 1.00 50.13 C ATOM 1021 CD GLN A 235 -5.752 -3.308 -12.925 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -5.483 -2.147 -12.653 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -5.590 -3.789 -14.145 1.00 43.20 N ATOM 0 H GLN A 235 -6.605 -5.428 -9.982 1.00 72.02 H new ATOM 0 HA GLN A 235 -8.832 -6.533 -11.352 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -7.778 -4.998 -13.168 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.404 -4.250 -11.712 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -6.289 -3.705 -10.896 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -5.503 -5.045 -11.707 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -5.822 -4.762 -14.345 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -5.233 -3.187 -14.887 1.00 43.20 H new