USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 31 HIS : no HD1:sc= -0.291 X(o=-0.31,f=0.07) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 13 MET CE :methyl -152:sc= -1.9! (180deg=-4.14!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.728 (180deg=-1.11) USER MOD Single : A 23 SER OG : rot 180:sc= -0.268 USER MOD Single : A 27 ASN : amide:sc= -3.43 K(o=-3.4,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 122:sc= 0.0731 USER MOD Single : A 50 SER OG : rot 180:sc= -0.171 USER MOD Single : A 52 SER OG : rot -32:sc= 1.05 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -120:sc= -0.813 USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= -1.73 (180deg=-8.39!) USER MOD Single : A 75 THR OG1 : rot 130:sc= 2.06 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 160:sc= -1.08 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -117:sc= 0.586 USER MOD Single : A 110 MET CE :methyl -130:sc= -3.84! (180deg=-12.1!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.0806 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 13.933 10.357 -0.760 1.00 53.44 N ATOM 124 CA PRO A 11 15.148 10.531 -1.561 1.00 54.45 C ATOM 125 C PRO A 11 16.298 9.659 -1.068 1.00 45.03 C ATOM 126 O PRO A 11 17.038 9.080 -1.866 1.00 23.34 O ATOM 127 CB PRO A 11 15.484 12.012 -1.379 1.00 72.55 C ATOM 128 CG PRO A 11 14.872 12.382 -0.072 1.00 3.34 C ATOM 129 CD PRO A 11 13.628 11.546 0.053 1.00 61.21 C ATOM 0 HA PRO A 11 14.996 10.239 -2.600 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.562 12.175 -1.372 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.076 12.613 -2.191 1.00 72.55 H new ATOM 0 HG2 PRO A 11 15.559 12.185 0.751 1.00 3.34 H new ATOM 0 HG3 PRO A 11 14.633 13.445 -0.040 1.00 3.34 H new ATOM 0 HD2 PRO A 11 13.424 11.282 1.091 1.00 61.21 H new ATOM 0 HD3 PRO A 11 12.750 12.074 -0.320 1.00 61.21 H new ATOM 137 N LEU A 12 16.442 9.568 0.249 1.00 63.12 N ATOM 138 CA LEU A 12 17.502 8.765 0.849 1.00 52.33 C ATOM 139 C LEU A 12 17.033 8.132 2.154 1.00 2.43 C ATOM 140 O LEU A 12 16.797 8.824 3.143 1.00 13.02 O ATOM 141 CB LEU A 12 18.740 9.628 1.104 1.00 40.22 C ATOM 142 CG LEU A 12 19.955 8.903 1.683 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.821 8.756 3.190 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.127 7.541 1.025 1.00 15.23 C ATOM 0 H LEU A 12 15.838 10.040 0.922 1.00 63.12 H new ATOM 0 HA LEU A 12 17.759 7.968 0.152 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.034 10.094 0.163 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.463 10.433 1.785 1.00 40.22 H new ATOM 0 HG LEU A 12 20.843 9.500 1.475 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.695 8.238 3.584 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.748 9.743 3.647 1.00 73.42 H new ATOM 0 HD13 LEU A 12 18.924 8.182 3.421 1.00 73.42 H new ATOM 0 HD21 LEU A 12 20.997 7.039 1.449 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.237 6.937 1.202 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.271 7.671 -0.048 1.00 15.23 H new ATOM 156 N MET A 13 16.902 6.808 2.150 1.00 61.20 N ATOM 157 CA MET A 13 16.463 6.080 3.335 1.00 22.34 C ATOM 158 C MET A 13 17.349 4.864 3.584 1.00 2.51 C ATOM 159 O MET A 13 17.874 4.263 2.646 1.00 53.15 O ATOM 160 CB MET A 13 15.006 5.642 3.181 1.00 74.34 C ATOM 161 CG MET A 13 14.783 4.665 2.038 1.00 62.10 C ATOM 162 SD MET A 13 13.470 3.478 2.385 1.00 31.34 S ATOM 163 CE MET A 13 14.180 2.580 3.762 1.00 60.31 C ATOM 0 H MET A 13 17.094 6.219 1.340 1.00 61.20 H new ATOM 0 HA MET A 13 16.544 6.748 4.192 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.673 5.182 4.111 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.385 6.523 3.021 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.536 5.220 1.133 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.710 4.128 1.838 1.00 62.10 H new ATOM 0 HE1 MET A 13 13.784 1.565 3.777 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.264 2.545 3.653 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.925 3.083 4.695 1.00 60.31 H new ATOM 173 N VAL A 14 17.511 4.505 4.853 1.00 21.22 N ATOM 174 CA VAL A 14 18.333 3.359 5.225 1.00 2.34 C ATOM 175 C VAL A 14 17.468 2.160 5.597 1.00 34.21 C ATOM 176 O VAL A 14 16.528 2.279 6.384 1.00 35.53 O ATOM 177 CB VAL A 14 19.261 3.695 6.407 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.034 2.460 6.846 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.211 4.824 6.034 1.00 44.55 C ATOM 0 H VAL A 14 17.084 4.991 5.641 1.00 21.22 H new ATOM 0 HA VAL A 14 18.940 3.109 4.355 1.00 2.34 H new ATOM 0 HB VAL A 14 18.648 4.028 7.245 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.685 2.716 7.682 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.334 1.684 7.155 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.638 2.094 6.015 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.860 5.049 6.881 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.819 4.521 5.182 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.636 5.712 5.772 1.00 44.55 H new ATOM 189 N LYS A 15 17.791 1.005 5.028 1.00 20.03 N ATOM 190 CA LYS A 15 17.045 -0.218 5.299 1.00 34.30 C ATOM 191 C LYS A 15 17.973 -1.319 5.804 1.00 62.02 C ATOM 192 O LYS A 15 18.783 -1.857 5.049 1.00 61.44 O ATOM 193 CB LYS A 15 16.317 -0.688 4.038 1.00 53.00 C ATOM 194 CG LYS A 15 15.714 -2.076 4.165 1.00 15.14 C ATOM 195 CD LYS A 15 14.609 -2.110 5.207 1.00 41.01 C ATOM 196 CE LYS A 15 15.087 -2.744 6.505 1.00 63.11 C ATOM 197 NZ LYS A 15 14.043 -3.613 7.115 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.566 0.889 4.375 1.00 20.03 H new ATOM 0 HA LYS A 15 16.310 -0.001 6.074 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.525 0.022 3.800 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.015 -0.680 3.201 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.316 -2.390 3.200 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.493 -2.789 4.436 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.261 -1.096 5.403 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.758 -2.670 4.819 1.00 41.01 H new ATOM 0 HE2 LYS A 15 15.983 -3.334 6.313 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.366 -1.961 7.210 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.262 -3.765 8.120 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.114 -3.153 7.028 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.023 -4.529 6.623 1.00 53.54 H new ATOM 211 N VAL A 16 17.847 -1.652 7.084 1.00 25.51 N ATOM 212 CA VAL A 16 18.671 -2.693 7.689 1.00 72.30 C ATOM 213 C VAL A 16 17.810 -3.776 8.326 1.00 42.30 C ATOM 214 O VAL A 16 16.968 -3.493 9.181 1.00 53.32 O ATOM 215 CB VAL A 16 19.617 -2.109 8.755 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.444 -3.213 9.397 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.516 -1.045 8.145 1.00 21.20 C ATOM 0 H VAL A 16 17.182 -1.216 7.723 1.00 25.51 H new ATOM 0 HA VAL A 16 19.265 -3.133 6.888 1.00 72.30 H new ATOM 0 HB VAL A 16 19.014 -1.640 9.532 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.106 -2.782 10.147 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.780 -3.936 9.871 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.039 -3.713 8.633 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.177 -0.644 8.913 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.113 -1.487 7.347 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.903 -0.241 7.738 1.00 21.20 H new ATOM 227 N LEU A 17 18.025 -5.018 7.907 1.00 45.53 N ATOM 228 CA LEU A 17 17.267 -6.147 8.437 1.00 34.25 C ATOM 229 C LEU A 17 18.173 -7.355 8.655 1.00 35.30 C ATOM 230 O LEU A 17 19.125 -7.572 7.906 1.00 14.24 O ATOM 231 CB LEU A 17 16.127 -6.513 7.487 1.00 4.15 C ATOM 232 CG LEU A 17 16.506 -7.387 6.290 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.061 -8.824 6.517 1.00 54.51 C ATOM 234 CD2 LEU A 17 15.896 -6.832 5.011 1.00 44.01 C ATOM 0 H LEU A 17 18.718 -5.269 7.202 1.00 45.53 H new ATOM 0 HA LEU A 17 16.847 -5.853 9.399 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.356 -7.029 8.059 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.683 -5.591 7.112 1.00 4.15 H new ATOM 0 HG LEU A 17 17.591 -7.377 6.185 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.339 -9.431 5.656 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.546 -9.218 7.410 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.979 -8.854 6.648 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.176 -7.466 4.170 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.810 -6.812 5.105 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.265 -5.820 4.841 1.00 44.01 H new ATOM 246 N ASP A 18 17.867 -8.139 9.683 1.00 35.22 N ATOM 247 CA ASP A 18 18.650 -9.328 9.997 1.00 62.01 C ATOM 248 C ASP A 18 18.233 -10.502 9.117 1.00 31.11 C ATOM 249 O ASP A 18 17.146 -11.056 9.278 1.00 73.51 O ATOM 250 CB ASP A 18 18.486 -9.697 11.472 1.00 12.00 C ATOM 251 CG ASP A 18 19.548 -9.063 12.349 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.832 -7.862 12.161 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 20.096 -9.768 13.223 1.00 41.53 O ATOM 0 H ASP A 18 17.082 -7.972 10.313 1.00 35.22 H new ATOM 0 HA ASP A 18 19.699 -9.105 9.800 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.500 -9.382 11.815 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.530 -10.781 11.579 1.00 12.00 H new ATOM 258 N ALA A 19 19.105 -10.875 8.186 1.00 34.14 N ATOM 259 CA ALA A 19 18.827 -11.983 7.280 1.00 74.24 C ATOM 260 C ALA A 19 18.585 -13.276 8.053 1.00 42.11 C ATOM 261 O ALA A 19 18.004 -14.225 7.527 1.00 25.21 O ATOM 262 CB ALA A 19 19.974 -12.162 6.297 1.00 45.22 C ATOM 0 H ALA A 19 20.009 -10.427 8.039 1.00 34.14 H new ATOM 0 HA ALA A 19 17.920 -11.746 6.724 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.753 -12.993 5.627 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.100 -11.249 5.714 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.893 -12.372 6.844 1.00 45.22 H new ATOM 268 N VAL A 20 19.033 -13.305 9.304 1.00 34.04 N ATOM 269 CA VAL A 20 18.865 -14.481 10.148 1.00 21.35 C ATOM 270 C VAL A 20 17.412 -14.943 10.165 1.00 44.04 C ATOM 271 O VAL A 20 17.115 -16.102 9.877 1.00 43.12 O ATOM 272 CB VAL A 20 19.320 -14.204 11.594 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.065 -15.416 12.477 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.789 -13.812 11.624 1.00 3.13 C ATOM 0 H VAL A 20 19.515 -12.527 9.755 1.00 34.04 H new ATOM 0 HA VAL A 20 19.489 -15.267 9.722 1.00 21.35 H new ATOM 0 HB VAL A 20 18.737 -13.371 11.986 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.393 -15.201 13.494 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.000 -15.646 12.480 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.620 -16.271 12.090 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.093 -13.620 12.653 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.390 -14.623 11.213 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.938 -12.912 11.028 1.00 3.13 H new ATOM 284 N ARG A 21 16.510 -14.027 10.503 1.00 13.31 N ATOM 285 CA ARG A 21 15.087 -14.340 10.558 1.00 41.52 C ATOM 286 C ARG A 21 14.325 -13.599 9.463 1.00 40.44 C ATOM 287 O ARG A 21 13.191 -13.946 9.138 1.00 1.41 O ATOM 288 CB ARG A 21 14.515 -13.975 11.929 1.00 42.31 C ATOM 289 CG ARG A 21 15.456 -14.280 13.082 1.00 55.31 C ATOM 290 CD ARG A 21 16.227 -13.043 13.514 1.00 11.13 C ATOM 291 NE ARG A 21 15.604 -12.379 14.656 1.00 51.30 N ATOM 292 CZ ARG A 21 15.560 -12.904 15.876 1.00 13.52 C ATOM 293 NH1 ARG A 21 16.100 -14.091 16.110 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 14.975 -12.239 16.864 1.00 1.52 N ATOM 0 H ARG A 21 16.739 -13.062 10.743 1.00 13.31 H new ATOM 0 HA ARG A 21 14.970 -15.412 10.397 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.272 -12.912 11.941 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.581 -14.517 12.080 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.885 -14.668 13.926 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.156 -15.061 12.785 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.248 -13.324 13.771 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.289 -12.345 12.679 1.00 11.13 H new ATOM 0 HE ARG A 21 15.180 -11.463 14.509 1.00 51.30 H new ATOM 0 HH11 ARG A 21 16.551 -14.604 15.353 1.00 72.23 H new ATOM 0 HH12 ARG A 21 16.065 -14.491 17.047 1.00 72.23 H new ATOM 0 HH21 ARG A 21 14.559 -11.325 16.687 1.00 1.52 H new ATOM 0 HH22 ARG A 21 14.941 -12.642 17.800 1.00 1.52 H new ATOM 308 N GLY A 22 14.957 -12.574 8.899 1.00 74.32 N ATOM 309 CA GLY A 22 14.323 -11.799 7.849 1.00 71.21 C ATOM 310 C GLY A 22 13.609 -10.573 8.382 1.00 53.11 C ATOM 311 O GLY A 22 12.956 -9.850 7.631 1.00 34.42 O ATOM 0 H GLY A 22 15.897 -12.267 9.151 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.077 -11.490 7.125 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.609 -12.429 7.318 1.00 71.21 H new ATOM 315 N SER A 23 13.731 -10.339 9.685 1.00 51.51 N ATOM 316 CA SER A 23 13.088 -9.195 10.320 1.00 3.34 C ATOM 317 C SER A 23 14.013 -7.982 10.323 1.00 32.43 C ATOM 318 O SER A 23 15.226 -8.095 10.139 1.00 43.34 O ATOM 319 CB SER A 23 12.681 -9.543 11.754 1.00 71.44 C ATOM 320 OG SER A 23 13.233 -10.785 12.154 1.00 35.11 O ATOM 0 H SER A 23 14.269 -10.927 10.321 1.00 51.51 H new ATOM 0 HA SER A 23 12.196 -8.947 9.745 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.016 -8.758 12.431 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.594 -9.584 11.827 1.00 71.44 H new ATOM 0 HG SER A 23 12.960 -10.983 13.074 1.00 35.11 H new ATOM 326 N PRO A 24 13.429 -6.794 10.536 1.00 34.11 N ATOM 327 CA PRO A 24 14.182 -5.537 10.567 1.00 75.01 C ATOM 328 C PRO A 24 15.077 -5.428 11.798 1.00 32.44 C ATOM 329 O PRO A 24 14.804 -6.038 12.832 1.00 65.23 O ATOM 330 CB PRO A 24 13.086 -4.468 10.607 1.00 55.43 C ATOM 331 CG PRO A 24 11.910 -5.153 11.212 1.00 2.33 C ATOM 332 CD PRO A 24 11.989 -6.586 10.762 1.00 25.13 C ATOM 0 HA PRO A 24 14.856 -5.444 9.716 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.393 -3.608 11.203 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.857 -4.098 9.608 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.935 -5.084 12.300 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.978 -4.692 10.884 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.599 -7.267 11.518 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.411 -6.754 9.853 1.00 25.13 H new ATOM 340 N ALA A 25 16.146 -4.646 11.680 1.00 41.01 N ATOM 341 CA ALA A 25 17.078 -4.456 12.784 1.00 63.44 C ATOM 342 C ALA A 25 16.764 -3.178 13.554 1.00 30.11 C ATOM 343 O ALA A 25 16.553 -2.120 12.960 1.00 75.14 O ATOM 344 CB ALA A 25 18.509 -4.424 12.266 1.00 64.11 C ATOM 0 H ALA A 25 16.387 -4.134 10.831 1.00 41.01 H new ATOM 0 HA ALA A 25 16.969 -5.297 13.468 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.195 -4.281 13.101 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.736 -5.366 11.766 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.622 -3.602 11.559 1.00 64.11 H new ATOM 350 N ILE A 26 16.733 -3.284 14.878 1.00 43.00 N ATOM 351 CA ILE A 26 16.444 -2.136 15.729 1.00 13.15 C ATOM 352 C ILE A 26 17.705 -1.640 16.430 1.00 11.44 C ATOM 353 O ILE A 26 18.528 -2.435 16.883 1.00 75.40 O ATOM 354 CB ILE A 26 15.380 -2.475 16.789 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.982 -2.133 16.268 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.665 -1.728 18.084 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.553 -0.715 16.572 1.00 11.12 C ATOM 0 H ILE A 26 16.904 -4.153 15.385 1.00 43.00 H new ATOM 0 HA ILE A 26 16.060 -1.350 15.079 1.00 13.15 H new ATOM 0 HB ILE A 26 15.420 -3.545 16.993 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.957 -2.288 15.189 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.261 -2.824 16.706 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.904 -1.978 18.823 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.646 -2.016 18.462 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.649 -0.654 17.896 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.553 -0.544 16.173 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.545 -0.561 17.651 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.252 -0.017 16.111 1.00 11.12 H new ATOM 369 N ASN A 27 17.847 -0.322 16.517 1.00 72.15 N ATOM 370 CA ASN A 27 19.007 0.279 17.165 1.00 74.24 C ATOM 371 C ASN A 27 20.288 -0.060 16.410 1.00 65.44 C ATOM 372 O ASN A 27 21.223 -0.628 16.975 1.00 74.45 O ATOM 373 CB ASN A 27 19.114 -0.199 18.615 1.00 42.11 C ATOM 374 CG ASN A 27 17.822 -0.003 19.385 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.431 -0.850 20.189 1.00 33.42 O ATOM 376 ND2 ASN A 27 17.153 1.118 19.141 1.00 65.05 N ATOM 0 H ASN A 27 17.174 0.350 16.148 1.00 72.15 H new ATOM 0 HA ASN A 27 18.876 1.361 17.156 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.385 -1.255 18.628 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.917 0.342 19.115 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.277 1.305 19.628 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.515 1.792 18.466 1.00 65.05 H new ATOM 383 N VAL A 28 20.326 0.295 15.129 1.00 63.23 N ATOM 384 CA VAL A 28 21.493 0.030 14.296 1.00 64.00 C ATOM 385 C VAL A 28 22.199 1.325 13.912 1.00 62.33 C ATOM 386 O VAL A 28 21.670 2.129 13.145 1.00 75.42 O ATOM 387 CB VAL A 28 21.107 -0.731 13.014 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.329 -0.956 12.137 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.439 -2.054 13.360 1.00 70.12 C ATOM 0 H VAL A 28 19.562 0.767 14.646 1.00 63.23 H new ATOM 0 HA VAL A 28 22.169 -0.588 14.886 1.00 64.00 H new ATOM 0 HB VAL A 28 20.394 -0.125 12.454 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.036 -1.495 11.236 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.760 0.006 11.860 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.068 -1.540 12.685 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.173 -2.578 12.442 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.127 -2.668 13.942 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.538 -1.865 13.944 1.00 70.12 H new ATOM 399 N ALA A 29 23.399 1.520 14.451 1.00 51.31 N ATOM 400 CA ALA A 29 24.179 2.717 14.162 1.00 14.44 C ATOM 401 C ALA A 29 24.481 2.830 12.671 1.00 34.01 C ATOM 402 O ALA A 29 25.073 1.929 12.078 1.00 1.50 O ATOM 403 CB ALA A 29 25.471 2.710 14.966 1.00 51.41 C ATOM 0 H ALA A 29 23.851 0.865 15.089 1.00 51.31 H new ATOM 0 HA ALA A 29 23.588 3.586 14.452 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.044 3.609 14.741 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.237 2.686 16.030 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.058 1.830 14.703 1.00 51.41 H new ATOM 409 N VAL A 30 24.069 3.942 12.072 1.00 53.05 N ATOM 410 CA VAL A 30 24.295 4.173 10.650 1.00 30.12 C ATOM 411 C VAL A 30 24.830 5.578 10.400 1.00 13.12 C ATOM 412 O VAL A 30 24.257 6.564 10.865 1.00 14.35 O ATOM 413 CB VAL A 30 23.004 3.974 9.836 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.243 4.291 8.368 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.481 2.556 10.005 1.00 21.10 C ATOM 0 H VAL A 30 23.577 4.697 12.549 1.00 53.05 H new ATOM 0 HA VAL A 30 25.036 3.442 10.325 1.00 30.12 H new ATOM 0 HB VAL A 30 22.248 4.663 10.213 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.319 4.144 7.809 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.567 5.327 8.268 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.014 3.629 7.974 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.568 2.433 9.423 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.232 1.847 9.656 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.268 2.370 11.058 1.00 21.10 H new ATOM 425 N HIS A 31 25.931 5.663 9.661 1.00 64.03 N ATOM 426 CA HIS A 31 26.544 6.951 9.347 1.00 64.42 C ATOM 427 C HIS A 31 26.712 7.118 7.840 1.00 32.44 C ATOM 428 O HIS A 31 27.442 6.363 7.198 1.00 61.22 O ATOM 429 CB HIS A 31 27.900 7.075 10.041 1.00 31.03 C ATOM 430 CG HIS A 31 27.898 6.585 11.455 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.887 5.775 11.972 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.020 6.795 12.464 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.616 5.506 13.238 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.489 6.114 13.560 1.00 41.10 N ATOM 0 H HIS A 31 26.418 4.857 9.268 1.00 64.03 H new ATOM 0 HA HIS A 31 25.885 7.739 9.711 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.642 6.514 9.472 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.211 8.120 10.028 1.00 31.03 H new ATOM 0 HD2 HIS A 31 26.119 7.388 12.416 1.00 62.03 H new ATOM 0 HE1 HIS A 31 29.214 4.894 13.896 1.00 20.24 H new ATOM 0 HE2 HIS A 31 27.040 6.083 14.475 1.00 41.10 H new ATOM 442 N VAL A 32 26.030 8.115 7.281 1.00 24.00 N ATOM 443 CA VAL A 32 26.105 8.382 5.850 1.00 4.03 C ATOM 444 C VAL A 32 27.141 9.458 5.545 1.00 11.32 C ATOM 445 O VAL A 32 27.221 10.472 6.238 1.00 31.44 O ATOM 446 CB VAL A 32 24.740 8.826 5.290 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.754 8.804 3.770 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.628 7.942 5.835 1.00 32.45 C ATOM 0 H VAL A 32 25.421 8.749 7.798 1.00 24.00 H new ATOM 0 HA VAL A 32 26.401 7.450 5.369 1.00 4.03 H new ATOM 0 HB VAL A 32 24.550 9.850 5.612 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.782 9.120 3.393 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.524 9.483 3.403 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.966 7.793 3.423 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.671 8.270 5.429 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.810 6.907 5.544 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.605 8.015 6.922 1.00 32.45 H new ATOM 458 N PHE A 33 27.933 9.230 4.503 1.00 51.12 N ATOM 459 CA PHE A 33 28.967 10.180 4.105 1.00 51.45 C ATOM 460 C PHE A 33 28.886 10.476 2.610 1.00 55.55 C ATOM 461 O PHE A 33 28.238 9.751 1.857 1.00 10.22 O ATOM 462 CB PHE A 33 30.352 9.635 4.456 1.00 10.20 C ATOM 463 CG PHE A 33 30.694 9.759 5.912 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.127 8.908 6.846 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.585 10.727 6.348 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.439 9.020 8.189 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.903 10.844 7.690 1.00 73.04 C ATOM 468 CZ PHE A 33 31.329 9.989 8.610 1.00 5.30 C ATOM 0 H PHE A 33 27.879 8.396 3.918 1.00 51.12 H new ATOM 0 HA PHE A 33 28.802 11.109 4.650 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.404 8.585 4.167 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.102 10.165 3.869 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.432 8.147 6.522 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.036 11.398 5.632 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.988 8.351 8.907 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.599 11.603 8.017 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.576 10.078 9.658 1.00 5.30 H new ATOM 478 N ARG A 34 29.551 11.548 2.190 1.00 64.43 N ATOM 479 CA ARG A 34 29.554 11.942 0.787 1.00 65.22 C ATOM 480 C ARG A 34 30.977 12.197 0.297 1.00 15.34 C ATOM 481 O ARG A 34 31.818 12.705 1.037 1.00 10.42 O ATOM 482 CB ARG A 34 28.702 13.196 0.585 1.00 44.03 C ATOM 483 CG ARG A 34 28.624 13.654 -0.862 1.00 42.14 C ATOM 484 CD ARG A 34 29.638 14.748 -1.157 1.00 65.22 C ATOM 485 NE ARG A 34 29.406 15.376 -2.455 1.00 22.33 N ATOM 486 CZ ARG A 34 29.610 14.761 -3.615 1.00 13.23 C ATOM 487 NH1 ARG A 34 30.048 13.510 -3.638 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.376 15.399 -4.755 1.00 1.52 N ATOM 0 H ARG A 34 30.094 12.158 2.801 1.00 64.43 H new ATOM 0 HA ARG A 34 29.128 11.124 0.205 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.694 13.002 0.951 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.111 14.004 1.191 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.800 12.805 -1.523 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.620 14.021 -1.075 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.591 15.506 -0.375 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.643 14.326 -1.133 1.00 65.22 H new ATOM 0 HE ARG A 34 29.069 16.339 -2.472 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.229 13.017 -2.764 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.204 13.040 -4.530 1.00 32.51 H new ATOM 0 HH21 ARG A 34 29.039 16.362 -4.741 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.533 14.927 -5.645 1.00 1.52 H new ATOM 502 N LYS A 35 31.238 11.838 -0.956 1.00 52.41 N ATOM 503 CA LYS A 35 32.558 12.027 -1.546 1.00 13.50 C ATOM 504 C LYS A 35 32.929 13.506 -1.586 1.00 22.12 C ATOM 505 O LYS A 35 32.375 14.274 -2.372 1.00 23.40 O ATOM 506 CB LYS A 35 32.596 11.442 -2.960 1.00 52.13 C ATOM 507 CG LYS A 35 33.710 12.007 -3.823 1.00 14.31 C ATOM 508 CD LYS A 35 35.078 11.698 -3.241 1.00 53.52 C ATOM 509 CE LYS A 35 35.410 10.217 -3.355 1.00 23.31 C ATOM 510 NZ LYS A 35 36.321 9.941 -4.500 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.553 11.415 -1.582 1.00 52.41 H new ATOM 0 HA LYS A 35 33.285 11.505 -0.924 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.713 10.360 -2.893 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.639 11.630 -3.448 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.639 11.591 -4.828 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.588 13.086 -3.915 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.837 12.283 -3.761 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.106 11.999 -2.194 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.875 9.877 -2.430 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.489 9.646 -3.477 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.524 8.922 -4.544 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.867 10.243 -5.386 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.210 10.465 -4.371 1.00 21.52 H new ATOM 524 N ALA A 36 33.872 13.899 -0.736 1.00 11.43 N ATOM 525 CA ALA A 36 34.319 15.285 -0.678 1.00 5.53 C ATOM 526 C ALA A 36 35.135 15.650 -1.913 1.00 3.33 C ATOM 527 O ALA A 36 35.725 14.783 -2.558 1.00 43.41 O ATOM 528 CB ALA A 36 35.133 15.524 0.586 1.00 65.22 C ATOM 0 H ALA A 36 34.341 13.277 -0.078 1.00 11.43 H new ATOM 0 HA ALA A 36 33.437 15.926 -0.655 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.461 16.563 0.617 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.518 15.311 1.460 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.004 14.869 0.587 1.00 65.22 H new ATOM 534 N ALA A 37 35.164 16.938 -2.237 1.00 31.41 N ATOM 535 CA ALA A 37 35.910 17.419 -3.394 1.00 53.45 C ATOM 536 C ALA A 37 37.388 17.064 -3.280 1.00 42.42 C ATOM 537 O ALA A 37 38.107 17.030 -4.278 1.00 11.14 O ATOM 538 CB ALA A 37 35.735 18.922 -3.546 1.00 43.21 C ATOM 0 H ALA A 37 34.679 17.668 -1.715 1.00 31.41 H new ATOM 0 HA ALA A 37 35.513 16.927 -4.282 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.297 19.268 -4.413 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.679 19.153 -3.682 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.104 19.424 -2.651 1.00 43.21 H new ATOM 544 N ASP A 38 37.837 16.803 -2.057 1.00 21.45 N ATOM 545 CA ASP A 38 39.231 16.450 -1.813 1.00 71.21 C ATOM 546 C ASP A 38 39.416 14.936 -1.808 1.00 42.43 C ATOM 547 O ASP A 38 40.424 14.426 -1.319 1.00 64.32 O ATOM 548 CB ASP A 38 39.702 17.039 -0.482 1.00 40.43 C ATOM 549 CG ASP A 38 40.358 18.396 -0.649 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.117 19.047 -1.687 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.113 18.805 0.258 1.00 52.21 O1- ATOM 0 H ASP A 38 37.256 16.829 -1.219 1.00 21.45 H new ATOM 0 HA ASP A 38 39.833 16.868 -2.620 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.851 17.131 0.193 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.408 16.353 -0.014 1.00 40.43 H new ATOM 556 N ASP A 39 38.436 14.224 -2.353 1.00 23.33 N ATOM 557 CA ASP A 39 38.490 12.768 -2.411 1.00 64.41 C ATOM 558 C ASP A 39 38.450 12.166 -1.010 1.00 62.43 C ATOM 559 O ASP A 39 39.076 11.139 -0.745 1.00 42.41 O ATOM 560 CB ASP A 39 39.756 12.312 -3.140 1.00 53.30 C ATOM 561 CG ASP A 39 40.106 13.210 -4.310 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.319 13.254 -5.279 1.00 1.24 O ATOM 563 OD2 ASP A 39 41.166 13.868 -4.258 1.00 73.02 O1- ATOM 0 H ASP A 39 37.595 14.631 -2.761 1.00 23.33 H new ATOM 0 HA ASP A 39 37.617 12.418 -2.962 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.589 12.294 -2.438 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.618 11.292 -3.498 1.00 53.30 H new ATOM 568 N THR A 40 37.710 12.813 -0.114 1.00 24.15 N ATOM 569 CA THR A 40 37.589 12.343 1.259 1.00 43.05 C ATOM 570 C THR A 40 36.149 11.970 1.589 1.00 61.51 C ATOM 571 O THR A 40 35.273 12.013 0.724 1.00 34.22 O ATOM 572 CB THR A 40 38.074 13.408 2.262 1.00 44.50 C ATOM 573 OG1 THR A 40 37.075 14.422 2.421 1.00 41.21 O ATOM 574 CG2 THR A 40 39.375 14.042 1.791 1.00 21.33 C ATOM 0 H THR A 40 37.186 13.664 -0.316 1.00 24.15 H new ATOM 0 HA THR A 40 38.219 11.458 1.346 1.00 43.05 H new ATOM 0 HB THR A 40 38.251 12.919 3.220 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.390 15.094 3.061 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.698 14.790 2.515 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.142 13.273 1.698 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.218 14.517 0.823 1.00 21.33 H new ATOM 582 N TRP A 41 35.910 11.605 2.843 1.00 45.03 N ATOM 583 CA TRP A 41 34.573 11.225 3.286 1.00 2.42 C ATOM 584 C TRP A 41 33.975 12.297 4.192 1.00 70.44 C ATOM 585 O TRP A 41 34.377 12.441 5.347 1.00 32.21 O ATOM 586 CB TRP A 41 34.619 9.885 4.023 1.00 70.13 C ATOM 587 CG TRP A 41 34.748 8.708 3.104 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.431 8.662 1.922 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.178 7.408 3.292 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.319 7.410 1.364 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.556 6.624 2.185 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.386 6.831 4.288 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.168 5.293 2.049 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.001 5.510 4.151 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.393 4.753 3.039 1.00 75.05 C ATOM 0 H TRP A 41 36.623 11.564 3.571 1.00 45.03 H new ATOM 0 HA TRP A 41 33.940 11.125 2.405 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.459 9.889 4.718 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.713 9.775 4.619 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.978 9.487 1.490 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.737 7.115 0.481 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.080 7.406 5.149 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.468 4.708 1.192 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.388 5.054 4.914 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.077 3.723 2.962 1.00 75.05 H new ATOM 606 N GLU A 42 33.013 13.044 3.662 1.00 73.10 N ATOM 607 CA GLU A 42 32.360 14.103 4.424 1.00 54.20 C ATOM 608 C GLU A 42 31.074 13.595 5.069 1.00 4.34 C ATOM 609 O GLU A 42 30.403 12.700 4.555 1.00 73.22 O ATOM 610 CB GLU A 42 32.053 15.298 3.520 1.00 31.41 C ATOM 611 CG GLU A 42 33.285 16.099 3.130 1.00 53.13 C ATOM 612 CD GLU A 42 33.502 17.306 4.022 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.596 18.162 4.095 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.579 17.394 4.648 1.00 64.44 O ATOM 0 H GLU A 42 32.668 12.936 2.708 1.00 73.10 H new ATOM 0 HA GLU A 42 33.041 14.420 5.213 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.560 14.941 2.615 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.348 15.956 4.028 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.163 15.455 3.177 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.187 16.429 2.096 1.00 53.13 H new ATOM 621 N PRO A 43 30.720 14.179 6.223 1.00 54.34 N ATOM 622 CA PRO A 43 29.512 13.803 6.963 1.00 24.43 C ATOM 623 C PRO A 43 28.236 14.226 6.244 1.00 42.40 C ATOM 624 O PRO A 43 27.973 15.417 6.074 1.00 63.02 O ATOM 625 CB PRO A 43 29.656 14.560 8.286 1.00 15.11 C ATOM 626 CG PRO A 43 30.525 15.727 7.962 1.00 23.24 C ATOM 627 CD PRO A 43 31.471 15.254 6.894 1.00 63.44 C ATOM 0 HA PRO A 43 29.427 12.723 7.081 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.686 14.882 8.666 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.107 13.932 9.054 1.00 15.11 H new ATOM 0 HG2 PRO A 43 29.931 16.571 7.611 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.069 16.065 8.844 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.729 16.056 6.202 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.405 14.887 7.319 1.00 63.44 H new ATOM 635 N PHE A 44 27.445 13.244 5.824 1.00 23.33 N ATOM 636 CA PHE A 44 26.196 13.515 5.122 1.00 30.03 C ATOM 637 C PHE A 44 25.000 13.350 6.056 1.00 11.52 C ATOM 638 O PHE A 44 24.048 14.127 6.006 1.00 21.02 O ATOM 639 CB PHE A 44 26.050 12.582 3.919 1.00 54.34 C ATOM 640 CG PHE A 44 24.853 12.888 3.064 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.596 12.425 3.419 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.984 13.640 1.909 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.492 12.705 2.635 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.884 13.924 1.122 1.00 24.11 C ATOM 645 CZ PHE A 44 22.637 13.455 1.484 1.00 75.12 C ATOM 0 H PHE A 44 27.647 12.253 5.958 1.00 23.33 H new ATOM 0 HA PHE A 44 26.222 14.547 4.772 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.950 12.648 3.307 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.980 11.554 4.273 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.477 11.839 4.318 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.957 14.009 1.620 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.518 12.338 2.922 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.000 14.513 0.224 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.777 13.674 0.869 1.00 75.12 H new ATOM 655 N ALA A 45 25.059 12.332 6.908 1.00 71.23 N ATOM 656 CA ALA A 45 23.983 12.065 7.855 1.00 64.43 C ATOM 657 C ALA A 45 24.372 10.958 8.830 1.00 24.31 C ATOM 658 O ALA A 45 25.446 10.366 8.716 1.00 5.31 O ATOM 659 CB ALA A 45 22.708 11.692 7.113 1.00 55.21 C ATOM 0 H ALA A 45 25.840 11.679 6.962 1.00 71.23 H new ATOM 0 HA ALA A 45 23.804 12.974 8.430 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.913 11.495 7.832 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.413 12.514 6.461 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.884 10.799 6.513 1.00 55.21 H new ATOM 665 N SER A 46 23.493 10.685 9.789 1.00 61.42 N ATOM 666 CA SER A 46 23.747 9.652 10.786 1.00 20.23 C ATOM 667 C SER A 46 22.507 9.406 11.640 1.00 55.20 C ATOM 668 O SER A 46 21.682 10.299 11.828 1.00 65.33 O ATOM 669 CB SER A 46 24.923 10.054 11.679 1.00 30.24 C ATOM 670 OG SER A 46 24.867 9.386 12.927 1.00 45.23 O ATOM 0 H SER A 46 22.599 11.165 9.896 1.00 61.42 H new ATOM 0 HA SER A 46 23.996 8.729 10.262 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.862 9.817 11.178 1.00 30.24 H new ATOM 0 HB3 SER A 46 24.910 11.132 11.839 1.00 30.24 H new ATOM 0 HG SER A 46 25.630 9.659 13.478 1.00 45.23 H new ATOM 676 N GLY A 47 22.384 8.186 12.156 1.00 22.52 N ATOM 677 CA GLY A 47 21.242 7.843 12.984 1.00 13.24 C ATOM 678 C GLY A 47 21.144 6.353 13.245 1.00 23.24 C ATOM 679 O GLY A 47 22.054 5.594 12.912 1.00 53.34 O ATOM 0 H GLY A 47 23.054 7.430 12.015 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.314 8.372 13.935 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.328 8.185 12.498 1.00 13.24 H new ATOM 683 N LYS A 48 20.037 5.931 13.847 1.00 71.53 N ATOM 684 CA LYS A 48 19.821 4.523 14.154 1.00 65.33 C ATOM 685 C LYS A 48 18.554 4.005 13.481 1.00 1.25 C ATOM 686 O LYS A 48 17.490 4.618 13.582 1.00 42.23 O ATOM 687 CB LYS A 48 19.726 4.319 15.668 1.00 75.34 C ATOM 688 CG LYS A 48 21.028 3.860 16.303 1.00 22.40 C ATOM 689 CD LYS A 48 20.893 3.715 17.809 1.00 43.34 C ATOM 690 CE LYS A 48 20.535 5.039 18.467 1.00 30.21 C ATOM 691 NZ LYS A 48 21.299 5.257 19.727 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.275 6.546 14.132 1.00 71.53 H new ATOM 0 HA LYS A 48 20.671 3.960 13.769 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.414 5.254 16.133 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.950 3.584 15.879 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.328 2.906 15.870 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.817 4.576 16.075 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.126 2.975 18.037 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.829 3.342 18.225 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.737 5.855 17.774 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.467 5.061 18.682 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 21.027 6.170 20.145 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 21.087 4.492 20.399 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.318 5.262 19.519 1.00 35.43 H new ATOM 705 N THR A 49 18.673 2.874 12.794 1.00 51.42 N ATOM 706 CA THR A 49 17.537 2.275 12.104 1.00 70.12 C ATOM 707 C THR A 49 16.368 2.058 13.058 1.00 10.11 C ATOM 708 O THR A 49 16.501 2.232 14.268 1.00 53.44 O ATOM 709 CB THR A 49 17.918 0.928 11.461 1.00 52.42 C ATOM 710 OG1 THR A 49 18.197 -0.039 12.478 1.00 74.22 O ATOM 711 CG2 THR A 49 19.131 1.085 10.557 1.00 34.12 C ATOM 0 H THR A 49 19.545 2.354 12.700 1.00 51.42 H new ATOM 0 HA THR A 49 17.239 2.971 11.320 1.00 70.12 H new ATOM 0 HB THR A 49 17.076 0.587 10.858 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.597 -0.806 12.373 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.382 0.121 10.114 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.905 1.800 9.766 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.977 1.446 11.142 1.00 34.12 H new ATOM 719 N SER A 50 15.222 1.676 12.503 1.00 34.50 N ATOM 720 CA SER A 50 14.027 1.437 13.305 1.00 20.42 C ATOM 721 C SER A 50 13.450 0.054 13.021 1.00 73.51 C ATOM 722 O SER A 50 13.921 -0.656 12.133 1.00 35.41 O ATOM 723 CB SER A 50 12.973 2.510 13.019 1.00 43.22 C ATOM 724 OG SER A 50 11.871 2.388 13.900 1.00 64.44 O ATOM 0 H SER A 50 15.096 1.525 11.502 1.00 34.50 H new ATOM 0 HA SER A 50 14.309 1.485 14.357 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.419 3.499 13.124 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.630 2.422 11.988 1.00 43.22 H new ATOM 0 HG SER A 50 11.212 3.085 13.699 1.00 64.44 H new ATOM 730 N GLU A 51 12.427 -0.321 13.782 1.00 30.32 N ATOM 731 CA GLU A 51 11.786 -1.620 13.614 1.00 23.23 C ATOM 732 C GLU A 51 11.023 -1.683 12.294 1.00 40.22 C ATOM 733 O GLU A 51 10.531 -2.740 11.899 1.00 52.42 O ATOM 734 CB GLU A 51 10.834 -1.898 14.779 1.00 74.31 C ATOM 735 CG GLU A 51 9.925 -0.729 15.115 1.00 31.32 C ATOM 736 CD GLU A 51 8.459 -1.115 15.129 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.988 -1.698 14.131 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.781 -0.832 16.140 1.00 52.03 O ATOM 0 H GLU A 51 12.024 0.256 14.521 1.00 30.32 H new ATOM 0 HA GLU A 51 12.565 -2.382 13.601 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.221 -2.766 14.537 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.419 -2.157 15.661 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.201 -0.328 16.090 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.080 0.068 14.388 1.00 31.32 H new ATOM 745 N SER A 52 10.930 -0.543 11.616 1.00 1.54 N ATOM 746 CA SER A 52 10.225 -0.467 10.342 1.00 44.12 C ATOM 747 C SER A 52 11.208 -0.451 9.176 1.00 3.03 C ATOM 748 O SER A 52 10.812 -0.338 8.017 1.00 54.51 O ATOM 749 CB SER A 52 9.342 0.782 10.298 1.00 55.52 C ATOM 750 OG SER A 52 8.672 0.889 9.054 1.00 34.12 O ATOM 0 H SER A 52 11.334 0.340 11.928 1.00 1.54 H new ATOM 0 HA SER A 52 9.595 -1.352 10.250 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.611 0.743 11.106 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.953 1.669 10.463 1.00 55.52 H new ATOM 0 HG SER A 52 9.234 0.510 8.346 1.00 34.12 H new ATOM 756 N GLY A 53 12.494 -0.566 9.493 1.00 14.45 N ATOM 757 CA GLY A 53 13.516 -0.562 8.462 1.00 40.03 C ATOM 758 C GLY A 53 13.744 0.819 7.878 1.00 14.23 C ATOM 759 O GLY A 53 14.368 0.958 6.826 1.00 21.34 O ATOM 0 H GLY A 53 12.847 -0.662 10.445 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.451 -0.936 8.880 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.227 -1.247 7.665 1.00 40.03 H new ATOM 763 N GLU A 54 13.236 1.840 8.560 1.00 31.13 N ATOM 764 CA GLU A 54 13.387 3.216 8.100 1.00 52.11 C ATOM 765 C GLU A 54 13.867 4.119 9.231 1.00 0.31 C ATOM 766 O GLU A 54 13.291 4.128 10.320 1.00 51.32 O ATOM 767 CB GLU A 54 12.060 3.738 7.543 1.00 40.52 C ATOM 768 CG GLU A 54 11.372 2.767 6.599 1.00 10.03 C ATOM 769 CD GLU A 54 10.077 3.319 6.036 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.813 4.525 6.227 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 9.328 2.546 5.403 1.00 31.31 O ATOM 0 H GLU A 54 12.717 1.741 9.432 1.00 31.13 H new ATOM 0 HA GLU A 54 14.136 3.228 7.308 1.00 52.11 H new ATOM 0 HB2 GLU A 54 11.390 3.961 8.373 1.00 40.52 H new ATOM 0 HB3 GLU A 54 12.240 4.676 7.018 1.00 40.52 H new ATOM 0 HG2 GLU A 54 12.047 2.525 5.778 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.166 1.836 7.128 1.00 10.03 H new ATOM 778 N LEU A 55 14.926 4.876 8.967 1.00 5.54 N ATOM 779 CA LEU A 55 15.485 5.783 9.963 1.00 34.15 C ATOM 780 C LEU A 55 14.617 7.028 10.114 1.00 70.31 C ATOM 781 O LEU A 55 13.788 7.328 9.255 1.00 34.41 O ATOM 782 CB LEU A 55 16.909 6.185 9.573 1.00 4.21 C ATOM 783 CG LEU A 55 17.953 6.126 10.690 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.288 5.641 10.147 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.106 7.491 11.347 1.00 14.12 C ATOM 0 H LEU A 55 15.415 4.880 8.072 1.00 5.54 H new ATOM 0 HA LEU A 55 15.510 5.262 10.920 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.238 5.537 8.761 1.00 4.21 H new ATOM 0 HB3 LEU A 55 16.884 7.201 9.180 1.00 4.21 H new ATOM 0 HG LEU A 55 17.612 5.417 11.444 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.018 5.605 10.955 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.168 4.644 9.722 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.636 6.325 9.373 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.852 7.432 12.139 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.425 8.220 10.602 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.150 7.800 11.771 1.00 14.12 H new ATOM 797 N HIS A 56 14.814 7.751 11.213 1.00 5.15 N ATOM 798 CA HIS A 56 14.050 8.965 11.476 1.00 13.42 C ATOM 799 C HIS A 56 14.084 9.899 10.270 1.00 51.22 C ATOM 800 O HIS A 56 13.090 10.049 9.560 1.00 34.12 O ATOM 801 CB HIS A 56 14.603 9.683 12.708 1.00 32.12 C ATOM 802 CG HIS A 56 14.154 9.080 14.003 1.00 53.30 C ATOM 803 ND1 HIS A 56 15.007 8.414 14.859 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.934 9.047 14.589 1.00 72.43 C ATOM 805 CE1 HIS A 56 14.331 7.996 15.914 1.00 1.32 C ATOM 806 NE2 HIS A 56 13.071 8.367 15.775 1.00 3.25 N ATOM 0 H HIS A 56 15.496 7.517 11.935 1.00 5.15 H new ATOM 0 HA HIS A 56 13.015 8.681 11.664 1.00 13.42 H new ATOM 0 HB2 HIS A 56 15.692 9.669 12.668 1.00 32.12 H new ATOM 0 HB3 HIS A 56 14.296 10.728 12.678 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.023 9.475 14.197 1.00 72.43 H new ATOM 0 HE1 HIS A 56 14.739 7.445 16.748 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.321 8.179 16.440 1.00 3.25 H new ATOM 814 N GLY A 57 15.234 10.528 10.046 1.00 61.41 N ATOM 815 CA GLY A 57 15.375 11.440 8.926 1.00 74.22 C ATOM 816 C GLY A 57 16.824 11.770 8.625 1.00 32.15 C ATOM 817 O GLY A 57 17.403 12.672 9.233 1.00 74.24 O ATOM 0 H GLY A 57 16.070 10.422 10.620 1.00 61.41 H new ATOM 0 HA2 GLY A 57 14.915 10.998 8.042 1.00 74.22 H new ATOM 0 HA3 GLY A 57 14.833 12.361 9.141 1.00 74.22 H new ATOM 821 N LEU A 58 17.413 11.036 7.687 1.00 71.24 N ATOM 822 CA LEU A 58 18.805 11.254 7.308 1.00 13.14 C ATOM 823 C LEU A 58 18.903 12.204 6.118 1.00 72.13 C ATOM 824 O LEU A 58 19.966 12.758 5.838 1.00 54.40 O ATOM 825 CB LEU A 58 19.475 9.922 6.968 1.00 52.25 C ATOM 826 CG LEU A 58 19.782 9.004 8.152 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.457 7.727 7.675 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.655 9.722 9.171 1.00 33.14 C ATOM 0 H LEU A 58 16.949 10.285 7.175 1.00 71.24 H new ATOM 0 HA LEU A 58 19.320 11.708 8.155 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.833 9.382 6.272 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.408 10.131 6.444 1.00 52.25 H new ATOM 0 HG LEU A 58 18.842 8.736 8.634 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.668 7.086 8.531 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.797 7.203 6.983 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.390 7.976 7.169 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.863 9.054 10.007 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.593 10.019 8.702 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.135 10.608 9.536 1.00 33.14 H new ATOM 840 N THR A 59 17.786 12.390 5.422 1.00 63.43 N ATOM 841 CA THR A 59 17.745 13.274 4.264 1.00 22.11 C ATOM 842 C THR A 59 18.228 14.674 4.623 1.00 64.24 C ATOM 843 O THR A 59 17.891 15.206 5.681 1.00 72.41 O ATOM 844 CB THR A 59 16.323 13.368 3.679 1.00 73.42 C ATOM 845 OG1 THR A 59 15.475 14.106 4.568 1.00 35.32 O ATOM 846 CG2 THR A 59 15.739 11.982 3.449 1.00 74.22 C ATOM 0 H THR A 59 16.897 11.940 5.640 1.00 63.43 H new ATOM 0 HA THR A 59 18.410 12.844 3.515 1.00 22.11 H new ATOM 0 HB THR A 59 16.382 13.884 2.721 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.573 14.163 4.188 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.735 12.074 3.036 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.370 11.433 2.750 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.693 11.445 4.396 1.00 74.22 H new ATOM 854 N THR A 60 19.019 15.267 3.735 1.00 12.24 N ATOM 855 CA THR A 60 19.550 16.607 3.959 1.00 43.44 C ATOM 856 C THR A 60 19.700 17.365 2.646 1.00 34.10 C ATOM 857 O THR A 60 19.589 16.783 1.567 1.00 22.23 O ATOM 858 CB THR A 60 20.915 16.558 4.670 1.00 21.12 C ATOM 859 OG1 THR A 60 21.793 15.659 3.985 1.00 74.34 O ATOM 860 CG2 THR A 60 20.757 16.115 6.117 1.00 41.12 C ATOM 0 H THR A 60 19.306 14.841 2.854 1.00 12.24 H new ATOM 0 HA THR A 60 18.836 17.128 4.596 1.00 43.44 H new ATOM 0 HB THR A 60 21.341 17.561 4.658 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.659 15.635 4.443 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.735 16.088 6.598 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.112 16.818 6.644 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.311 15.121 6.147 1.00 41.12 H new ATOM 868 N GLU A 61 19.954 18.666 2.744 1.00 14.50 N ATOM 869 CA GLU A 61 20.119 19.503 1.562 1.00 24.54 C ATOM 870 C GLU A 61 21.359 19.091 0.773 1.00 54.52 C ATOM 871 O GLU A 61 21.534 19.489 -0.379 1.00 63.11 O ATOM 872 CB GLU A 61 20.223 20.976 1.963 1.00 35.23 C ATOM 873 CG GLU A 61 21.394 21.276 2.885 1.00 25.21 C ATOM 874 CD GLU A 61 21.582 22.762 3.124 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.583 23.506 3.043 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.729 23.179 3.392 1.00 13.54 O1- ATOM 0 H GLU A 61 20.050 19.163 3.630 1.00 14.50 H new ATOM 0 HA GLU A 61 19.243 19.368 0.927 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.316 21.583 1.062 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.298 21.276 2.455 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.237 20.775 3.840 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.306 20.863 2.454 1.00 25.21 H new ATOM 883 N GLU A 62 22.217 18.294 1.403 1.00 72.32 N ATOM 884 CA GLU A 62 23.441 17.831 0.760 1.00 31.42 C ATOM 885 C GLU A 62 23.131 16.795 -0.317 1.00 1.45 C ATOM 886 O GLU A 62 24.011 16.391 -1.075 1.00 71.41 O ATOM 887 CB GLU A 62 24.393 17.235 1.798 1.00 1.21 C ATOM 888 CG GLU A 62 25.525 18.168 2.193 1.00 10.03 C ATOM 889 CD GLU A 62 26.308 18.675 0.997 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.426 17.927 0.005 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.802 19.821 1.055 1.00 75.13 O ATOM 0 H GLU A 62 22.087 17.956 2.357 1.00 72.32 H new ATOM 0 HA GLU A 62 23.921 18.688 0.287 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.825 16.969 2.689 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.816 16.311 1.403 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.117 19.017 2.741 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.201 17.646 2.870 1.00 10.03 H new ATOM 898 N GLU A 63 21.873 16.368 -0.375 1.00 1.55 N ATOM 899 CA GLU A 63 21.447 15.378 -1.357 1.00 2.15 C ATOM 900 C GLU A 63 21.541 15.941 -2.773 1.00 33.05 C ATOM 901 O GLU A 63 21.497 15.198 -3.752 1.00 33.04 O ATOM 902 CB GLU A 63 20.014 14.925 -1.069 1.00 4.33 C ATOM 903 CG GLU A 63 18.966 15.975 -1.403 1.00 54.34 C ATOM 904 CD GLU A 63 17.553 15.491 -1.142 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.267 15.082 0.003 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.733 15.521 -2.082 1.00 12.13 O1- ATOM 0 H GLU A 63 21.132 16.692 0.246 1.00 1.55 H new ATOM 0 HA GLU A 63 22.113 14.519 -1.282 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.806 14.021 -1.641 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.930 14.662 -0.015 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.154 16.872 -0.812 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.062 16.258 -2.451 1.00 54.34 H new ATOM 913 N PHE A 64 21.669 17.260 -2.870 1.00 14.24 N ATOM 914 CA PHE A 64 21.767 17.924 -4.165 1.00 42.31 C ATOM 915 C PHE A 64 23.191 17.851 -4.707 1.00 11.50 C ATOM 916 O PHE A 64 23.819 18.876 -4.976 1.00 32.43 O ATOM 917 CB PHE A 64 21.328 19.386 -4.047 1.00 12.40 C ATOM 918 CG PHE A 64 21.010 20.025 -5.369 1.00 41.53 C ATOM 919 CD1 PHE A 64 20.003 19.517 -6.173 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.718 21.132 -5.806 1.00 43.22 C ATOM 921 CE1 PHE A 64 19.709 20.103 -7.390 1.00 42.01 C ATOM 922 CE2 PHE A 64 21.429 21.722 -7.022 1.00 2.15 C ATOM 923 CZ PHE A 64 20.421 21.208 -7.815 1.00 13.33 C ATOM 0 H PHE A 64 21.707 17.890 -2.069 1.00 14.24 H new ATOM 0 HA PHE A 64 21.105 17.408 -4.861 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.449 19.442 -3.404 1.00 12.40 H new ATOM 0 HB3 PHE A 64 22.118 19.956 -3.558 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.442 18.654 -5.846 1.00 45.43 H new ATOM 0 HD2 PHE A 64 22.505 21.539 -5.189 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.922 19.697 -8.009 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.990 22.584 -7.352 1.00 2.15 H new ATOM 0 HZ PHE A 64 20.190 21.669 -8.764 1.00 13.33 H new ATOM 933 N VAL A 65 23.696 16.632 -4.866 1.00 14.35 N ATOM 934 CA VAL A 65 25.045 16.423 -5.377 1.00 53.13 C ATOM 935 C VAL A 65 25.056 15.389 -6.496 1.00 62.20 C ATOM 936 O VAL A 65 24.006 14.897 -6.910 1.00 61.02 O ATOM 937 CB VAL A 65 26.003 15.965 -4.260 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.220 17.083 -3.252 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.467 14.716 -3.579 1.00 75.10 C ATOM 0 H VAL A 65 23.190 15.773 -4.648 1.00 14.35 H new ATOM 0 HA VAL A 65 25.386 17.381 -5.769 1.00 53.13 H new ATOM 0 HB VAL A 65 26.967 15.721 -4.707 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.899 16.742 -2.471 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.652 17.948 -3.755 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.265 17.362 -2.807 1.00 53.55 H new ATOM 0 HG21 VAL A 65 26.156 14.406 -2.793 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.491 14.930 -3.143 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.369 13.915 -4.312 1.00 75.10 H new ATOM 949 N GLU A 66 26.249 15.062 -6.983 1.00 2.51 N ATOM 950 CA GLU A 66 26.395 14.085 -8.055 1.00 74.43 C ATOM 951 C GLU A 66 25.584 12.827 -7.760 1.00 23.21 C ATOM 952 O GLU A 66 24.894 12.301 -8.632 1.00 2.04 O ATOM 953 CB GLU A 66 27.869 13.722 -8.247 1.00 20.43 C ATOM 954 CG GLU A 66 28.699 14.842 -8.852 1.00 34.14 C ATOM 955 CD GLU A 66 28.701 14.814 -10.367 1.00 41.54 C ATOM 956 OE1 GLU A 66 27.691 15.230 -10.970 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 29.714 14.375 -10.950 1.00 71.33 O ATOM 0 H GLU A 66 27.128 15.460 -6.652 1.00 2.51 H new ATOM 0 HA GLU A 66 26.016 14.533 -8.974 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.295 13.446 -7.282 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.937 12.843 -8.889 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.311 15.802 -8.511 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.724 14.766 -8.490 1.00 34.14 H new ATOM 964 N GLY A 67 25.674 12.349 -6.522 1.00 71.33 N ATOM 965 CA GLY A 67 24.945 11.156 -6.132 1.00 61.34 C ATOM 966 C GLY A 67 25.797 10.190 -5.335 1.00 70.12 C ATOM 967 O GLY A 67 25.331 9.121 -4.940 1.00 52.23 O ATOM 0 H GLY A 67 26.239 12.767 -5.782 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.076 11.443 -5.540 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.571 10.654 -7.025 1.00 61.34 H new ATOM 971 N ILE A 68 27.050 10.565 -5.099 1.00 31.34 N ATOM 972 CA ILE A 68 27.969 9.723 -4.344 1.00 24.21 C ATOM 973 C ILE A 68 27.632 9.735 -2.857 1.00 41.21 C ATOM 974 O ILE A 68 27.754 10.763 -2.191 1.00 52.24 O ATOM 975 CB ILE A 68 29.430 10.175 -4.532 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.728 10.408 -6.014 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.383 9.141 -3.949 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.092 11.010 -6.268 1.00 24.51 C ATOM 0 H ILE A 68 27.451 11.446 -5.420 1.00 31.34 H new ATOM 0 HA ILE A 68 27.858 8.710 -4.730 1.00 24.21 H new ATOM 0 HB ILE A 68 29.576 11.115 -4.000 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.654 9.459 -6.545 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.966 11.066 -6.431 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.411 9.474 -4.089 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.183 9.021 -2.884 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.238 8.187 -4.455 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.235 11.148 -7.340 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.163 11.975 -5.766 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.862 10.342 -5.882 1.00 24.51 H new ATOM 990 N TYR A 69 27.208 8.586 -2.343 1.00 43.21 N ATOM 991 CA TYR A 69 26.852 8.465 -0.934 1.00 1.03 C ATOM 992 C TYR A 69 27.323 7.130 -0.367 1.00 42.24 C ATOM 993 O TYR A 69 26.997 6.066 -0.893 1.00 25.42 O ATOM 994 CB TYR A 69 25.339 8.602 -0.756 1.00 41.35 C ATOM 995 CG TYR A 69 24.747 9.785 -1.486 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.095 11.085 -1.139 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.839 9.605 -2.523 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.556 12.170 -1.803 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.298 10.684 -3.194 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.659 11.964 -2.830 1.00 22.23 C ATOM 1001 OH TYR A 69 23.120 13.043 -3.495 1.00 34.52 O ATOM 0 H TYR A 69 27.102 7.726 -2.880 1.00 43.21 H new ATOM 0 HA TYR A 69 27.350 9.267 -0.389 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.856 7.690 -1.108 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.114 8.692 0.307 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.799 11.250 -0.337 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.552 8.604 -2.809 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.836 13.174 -1.519 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.596 10.526 -3.999 1.00 73.53 H new ATOM 0 HH TYR A 69 22.145 13.033 -3.399 1.00 34.52 H new ATOM 1011 N LYS A 70 28.094 7.193 0.714 1.00 53.02 N ATOM 1012 CA LYS A 70 28.611 5.991 1.358 1.00 22.35 C ATOM 1013 C LYS A 70 28.045 5.841 2.766 1.00 44.40 C ATOM 1014 O LYS A 70 28.450 6.549 3.687 1.00 32.24 O ATOM 1015 CB LYS A 70 30.140 6.036 1.413 1.00 11.12 C ATOM 1016 CG LYS A 70 30.690 7.324 2.000 1.00 64.32 C ATOM 1017 CD LYS A 70 31.704 7.971 1.071 1.00 64.11 C ATOM 1018 CE LYS A 70 31.046 8.491 -0.198 1.00 50.51 C ATOM 1019 NZ LYS A 70 31.310 7.602 -1.364 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.375 8.065 1.163 1.00 53.02 H new ATOM 0 HA LYS A 70 28.299 5.129 0.767 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.499 5.194 2.005 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.535 5.908 0.405 1.00 11.12 H new ATOM 0 HG2 LYS A 70 29.871 8.019 2.187 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.158 7.116 2.962 1.00 64.32 H new ATOM 0 HD2 LYS A 70 32.200 8.793 1.588 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.475 7.246 0.811 1.00 64.11 H new ATOM 0 HE2 LYS A 70 29.971 8.575 -0.041 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.416 9.493 -0.414 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 31.896 8.106 -2.060 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 31.811 6.749 -1.044 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 30.408 7.329 -1.804 1.00 34.32 H new ATOM 1033 N VAL A 71 27.107 4.914 2.925 1.00 65.12 N ATOM 1034 CA VAL A 71 26.486 4.668 4.222 1.00 43.30 C ATOM 1035 C VAL A 71 27.192 3.540 4.965 1.00 4.12 C ATOM 1036 O VAL A 71 27.408 2.461 4.413 1.00 32.12 O ATOM 1037 CB VAL A 71 24.994 4.316 4.072 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.408 3.895 5.411 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.224 5.492 3.490 1.00 13.51 C ATOM 0 H VAL A 71 26.760 4.320 2.172 1.00 65.12 H new ATOM 0 HA VAL A 71 26.578 5.590 4.797 1.00 43.30 H new ATOM 0 HB VAL A 71 24.904 3.476 3.383 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.353 3.650 5.286 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.942 3.021 5.783 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.508 4.712 6.125 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.172 5.225 3.391 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.319 6.353 4.152 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.628 5.742 2.509 1.00 13.51 H new ATOM 1049 N GLU A 72 27.549 3.797 6.219 1.00 21.11 N ATOM 1050 CA GLU A 72 28.231 2.802 7.037 1.00 23.21 C ATOM 1051 C GLU A 72 27.322 2.301 8.156 1.00 64.10 C ATOM 1052 O GLU A 72 26.585 3.077 8.765 1.00 4.11 O ATOM 1053 CB GLU A 72 29.513 3.389 7.632 1.00 23.23 C ATOM 1054 CG GLU A 72 29.857 2.836 9.005 1.00 11.22 C ATOM 1055 CD GLU A 72 31.328 2.981 9.340 1.00 2.12 C ATOM 1056 OE1 GLU A 72 32.130 3.209 8.410 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.677 2.868 10.535 1.00 15.25 O1- ATOM 0 H GLU A 72 27.377 4.685 6.690 1.00 21.11 H new ATOM 0 HA GLU A 72 28.489 1.959 6.396 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.342 3.192 6.952 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.408 4.472 7.702 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.264 3.352 9.760 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.580 1.783 9.048 1.00 11.22 H new ATOM 1064 N ILE A 73 27.380 1.000 8.420 1.00 64.22 N ATOM 1065 CA ILE A 73 26.562 0.395 9.464 1.00 54.32 C ATOM 1066 C ILE A 73 27.425 -0.372 10.461 1.00 14.42 C ATOM 1067 O ILE A 73 28.328 -1.115 10.074 1.00 11.03 O ATOM 1068 CB ILE A 73 25.509 -0.559 8.873 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.540 0.211 7.972 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.753 -1.270 9.986 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.499 -0.303 6.550 1.00 1.34 C ATOM 0 H ILE A 73 27.985 0.345 7.925 1.00 64.22 H new ATOM 0 HA ILE A 73 26.052 1.210 9.978 1.00 54.32 H new ATOM 0 HB ILE A 73 26.019 -1.310 8.270 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.538 0.156 8.399 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.825 1.263 7.961 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.012 -1.941 9.552 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.453 -1.846 10.591 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.252 -0.533 10.614 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.792 0.289 5.969 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.491 -0.223 6.105 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.185 -1.347 6.549 1.00 1.34 H new ATOM 1083 N ASP A 74 27.138 -0.191 11.745 1.00 44.44 N ATOM 1084 CA ASP A 74 27.885 -0.868 12.798 1.00 10.11 C ATOM 1085 C ASP A 74 27.093 -2.048 13.352 1.00 13.42 C ATOM 1086 O ASP A 74 26.175 -1.873 14.154 1.00 64.24 O ATOM 1087 CB ASP A 74 28.221 0.109 13.925 1.00 20.22 C ATOM 1088 CG ASP A 74 29.536 -0.219 14.604 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.140 -1.254 14.255 1.00 11.04 O ATOM 1090 OD2 ASP A 74 29.960 0.560 15.484 1.00 62.12 O1- ATOM 0 H ASP A 74 26.393 0.419 12.082 1.00 44.44 H new ATOM 0 HA ASP A 74 28.812 -1.245 12.366 1.00 10.11 H new ATOM 0 HB2 ASP A 74 28.266 1.121 13.523 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.420 0.095 14.665 1.00 20.22 H new ATOM 1095 N THR A 75 27.453 -3.253 12.918 1.00 2.21 N ATOM 1096 CA THR A 75 26.776 -4.462 13.369 1.00 43.11 C ATOM 1097 C THR A 75 27.443 -5.035 14.614 1.00 52.03 C ATOM 1098 O THR A 75 26.783 -5.628 15.468 1.00 42.55 O ATOM 1099 CB THR A 75 26.758 -5.539 12.268 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.094 -5.963 11.976 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.101 -5.010 11.003 1.00 71.34 C ATOM 0 H THR A 75 28.210 -3.417 12.254 1.00 2.21 H new ATOM 0 HA THR A 75 25.751 -4.179 13.608 1.00 43.11 H new ATOM 0 HB THR A 75 26.179 -6.388 12.631 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.137 -6.942 11.991 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.100 -5.789 10.240 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.075 -4.716 11.222 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.656 -4.146 10.639 1.00 71.34 H new ATOM 1109 N LYS A 76 28.755 -4.852 14.714 1.00 11.51 N ATOM 1110 CA LYS A 76 29.512 -5.349 15.857 1.00 2.32 C ATOM 1111 C LYS A 76 28.935 -4.817 17.164 1.00 63.31 C ATOM 1112 O LYS A 76 28.977 -5.493 18.192 1.00 10.13 O ATOM 1113 CB LYS A 76 30.983 -4.945 15.734 1.00 70.33 C ATOM 1114 CG LYS A 76 31.243 -3.486 16.066 1.00 30.31 C ATOM 1115 CD LYS A 76 31.611 -3.304 17.529 1.00 0.13 C ATOM 1116 CE LYS A 76 31.187 -1.938 18.045 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.359 -1.066 18.336 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.317 -4.363 14.017 1.00 11.51 H new ATOM 0 HA LYS A 76 29.439 -6.437 15.865 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.580 -5.572 16.397 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.322 -5.143 14.717 1.00 70.33 H new ATOM 0 HG2 LYS A 76 32.049 -3.107 15.437 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.356 -2.896 15.837 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.135 -4.083 18.125 1.00 0.13 H new ATOM 0 HD3 LYS A 76 32.688 -3.422 17.652 1.00 0.13 H new ATOM 0 HE2 LYS A 76 30.548 -1.453 17.307 1.00 10.32 H new ATOM 0 HE3 LYS A 76 30.592 -2.060 18.950 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 32.028 -0.144 18.685 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.956 -1.516 19.059 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 32.913 -0.928 17.467 1.00 64.52 H new ATOM 1131 N SER A 77 28.397 -3.603 17.118 1.00 12.32 N ATOM 1132 CA SER A 77 27.813 -2.980 18.300 1.00 40.54 C ATOM 1133 C SER A 77 26.334 -3.333 18.427 1.00 72.24 C ATOM 1134 O SER A 77 25.726 -3.139 19.479 1.00 3.31 O ATOM 1135 CB SER A 77 27.982 -1.460 18.239 1.00 24.54 C ATOM 1136 OG SER A 77 28.168 -1.022 16.904 1.00 62.42 O ATOM 0 H SER A 77 28.353 -3.031 16.275 1.00 12.32 H new ATOM 0 HA SER A 77 28.337 -3.362 19.176 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.103 -0.976 18.665 1.00 24.54 H new ATOM 0 HB3 SER A 77 28.837 -1.161 18.846 1.00 24.54 H new ATOM 0 HG SER A 77 27.956 -0.067 16.840 1.00 62.42 H new ATOM 1142 N TYR A 78 25.763 -3.854 17.347 1.00 33.14 N ATOM 1143 CA TYR A 78 24.354 -4.233 17.335 1.00 43.04 C ATOM 1144 C TYR A 78 24.163 -5.633 17.907 1.00 22.45 C ATOM 1145 O TYR A 78 23.167 -5.911 18.576 1.00 1.02 O ATOM 1146 CB TYR A 78 23.801 -4.173 15.909 1.00 4.32 C ATOM 1147 CG TYR A 78 22.489 -4.904 15.738 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.301 -4.359 16.210 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.437 -6.139 15.106 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.099 -5.024 16.057 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.240 -6.811 14.947 1.00 61.52 C ATOM 1152 CZ TYR A 78 20.074 -6.249 15.424 1.00 70.05 C ATOM 1153 OH TYR A 78 18.880 -6.916 15.268 1.00 34.34 O ATOM 0 H TYR A 78 26.253 -4.024 16.469 1.00 33.14 H new ATOM 0 HA TYR A 78 23.808 -3.527 17.960 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.666 -3.130 15.624 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.536 -4.598 15.225 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.317 -3.399 16.705 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.348 -6.582 14.732 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.185 -4.587 16.431 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.218 -7.771 14.452 1.00 61.52 H new ATOM 0 HH TYR A 78 19.037 -7.763 14.801 1.00 34.34 H new ATOM 1163 N TRP A 79 25.123 -6.511 17.642 1.00 42.11 N ATOM 1164 CA TRP A 79 25.061 -7.883 18.131 1.00 34.33 C ATOM 1165 C TRP A 79 25.414 -7.949 19.614 1.00 45.25 C ATOM 1166 O TRP A 79 25.121 -8.936 20.289 1.00 50.44 O ATOM 1167 CB TRP A 79 26.008 -8.776 17.329 1.00 11.24 C ATOM 1168 CG TRP A 79 25.552 -9.010 15.920 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.296 -9.358 15.512 1.00 13.21 C ATOM 1170 CD2 TRP A 79 26.350 -8.914 14.735 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.265 -9.484 14.144 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.511 -9.216 13.643 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.689 -8.601 14.489 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 25.971 -9.215 12.329 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.143 -8.600 13.183 1.00 22.15 C ATOM 1176 CH2 TRP A 79 27.287 -8.905 12.117 1.00 55.42 C ATOM 0 H TRP A 79 25.954 -6.297 17.091 1.00 42.11 H new ATOM 0 HA TRP A 79 24.040 -8.242 18.003 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.998 -8.321 17.312 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.107 -9.736 17.836 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.452 -9.512 16.168 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.446 -9.736 13.591 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.357 -8.364 15.304 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 25.313 -9.451 11.506 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 29.176 -8.360 12.981 1.00 22.15 H new ATOM 0 HH2 TRP A 79 27.673 -8.895 11.108 1.00 55.42 H new ATOM 1187 N LYS A 80 26.047 -6.893 20.114 1.00 50.41 N ATOM 1188 CA LYS A 80 26.440 -6.830 21.517 1.00 54.32 C ATOM 1189 C LYS A 80 25.298 -6.299 22.378 1.00 54.00 C ATOM 1190 O LYS A 80 25.300 -6.465 23.598 1.00 50.04 O ATOM 1191 CB LYS A 80 27.674 -5.940 21.682 1.00 61.21 C ATOM 1192 CG LYS A 80 27.354 -4.455 21.705 1.00 73.40 C ATOM 1193 CD LYS A 80 27.453 -3.884 23.110 1.00 71.12 C ATOM 1194 CE LYS A 80 28.902 -3.690 23.530 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.410 -2.339 23.162 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.299 -6.069 19.568 1.00 50.41 H new ATOM 0 HA LYS A 80 26.681 -7.840 21.847 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.184 -6.208 22.608 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.368 -6.141 20.866 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.041 -3.924 21.046 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.349 -4.292 21.315 1.00 73.40 H new ATOM 0 HD2 LYS A 80 26.929 -2.929 23.154 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.956 -4.553 23.812 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.990 -3.830 24.607 1.00 24.41 H new ATOM 0 HE3 LYS A 80 29.522 -4.452 23.058 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 30.401 -2.246 23.465 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 29.350 -2.215 22.131 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.834 -1.612 23.632 1.00 51.34 H new ATOM 1209 N ALA A 81 24.324 -5.663 21.735 1.00 25.51 N ATOM 1210 CA ALA A 81 23.175 -5.112 22.442 1.00 23.43 C ATOM 1211 C ALA A 81 22.088 -6.166 22.628 1.00 74.11 C ATOM 1212 O ALA A 81 21.520 -6.302 23.712 1.00 11.21 O ATOM 1213 CB ALA A 81 22.623 -3.908 21.695 1.00 4.11 C ATOM 0 H ALA A 81 24.308 -5.517 20.726 1.00 25.51 H new ATOM 0 HA ALA A 81 23.507 -4.792 23.430 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.765 -3.507 22.235 1.00 4.11 H new ATOM 0 HB2 ALA A 81 23.395 -3.142 21.619 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.313 -4.211 20.695 1.00 4.11 H new ATOM 1219 N LEU A 82 21.802 -6.908 21.564 1.00 72.45 N ATOM 1220 CA LEU A 82 20.783 -7.950 21.610 1.00 71.44 C ATOM 1221 C LEU A 82 21.394 -9.294 21.987 1.00 25.04 C ATOM 1222 O LEU A 82 20.719 -10.323 21.966 1.00 54.03 O ATOM 1223 CB LEU A 82 20.078 -8.060 20.256 1.00 34.13 C ATOM 1224 CG LEU A 82 19.333 -6.810 19.784 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.589 -6.162 20.942 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.299 -5.822 19.149 1.00 33.50 C ATOM 0 H LEU A 82 22.262 -6.807 20.659 1.00 72.45 H new ATOM 0 HA LEU A 82 20.054 -7.677 22.373 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.821 -8.322 19.502 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.368 -8.885 20.305 1.00 34.13 H new ATOM 0 HG LEU A 82 18.603 -7.108 19.032 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.065 -5.275 20.587 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.868 -6.869 21.352 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.300 -5.878 21.718 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.752 -4.939 18.819 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.053 -5.530 19.880 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.786 -6.288 18.292 1.00 33.50 H new ATOM 1238 N GLY A 83 22.677 -9.279 22.337 1.00 74.52 N ATOM 1239 CA GLY A 83 23.357 -10.503 22.717 1.00 61.44 C ATOM 1240 C GLY A 83 23.276 -11.570 21.643 1.00 64.05 C ATOM 1241 O GLY A 83 22.970 -12.727 21.931 1.00 12.21 O ATOM 0 H GLY A 83 23.257 -8.441 22.364 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.404 -10.283 22.928 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.920 -10.886 23.639 1.00 61.44 H new ATOM 1245 N ILE A 84 23.547 -11.179 20.402 1.00 55.22 N ATOM 1246 CA ILE A 84 23.503 -12.112 19.282 1.00 13.14 C ATOM 1247 C ILE A 84 24.856 -12.780 19.069 1.00 55.44 C ATOM 1248 O ILE A 84 25.893 -12.248 19.465 1.00 14.52 O ATOM 1249 CB ILE A 84 23.081 -11.406 17.979 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.872 -10.501 18.232 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.767 -12.430 16.900 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.659 -11.244 18.747 1.00 63.44 C ATOM 0 H ILE A 84 23.799 -10.224 20.147 1.00 55.22 H new ATOM 0 HA ILE A 84 22.762 -12.871 19.532 1.00 13.14 H new ATOM 0 HB ILE A 84 23.909 -10.786 17.634 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.149 -9.731 18.952 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.609 -9.991 17.305 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.470 -11.916 15.986 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.652 -13.036 16.705 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.953 -13.073 17.235 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.841 -10.541 18.904 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.356 -11.996 18.018 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.904 -11.731 19.691 1.00 63.44 H new ATOM 1264 N SER A 85 24.839 -13.950 18.439 1.00 21.13 N ATOM 1265 CA SER A 85 26.065 -14.695 18.175 1.00 50.52 C ATOM 1266 C SER A 85 27.123 -13.792 17.548 1.00 44.03 C ATOM 1267 O SER A 85 26.821 -12.752 16.962 1.00 31.33 O ATOM 1268 CB SER A 85 25.778 -15.880 17.251 1.00 54.22 C ATOM 1269 OG SER A 85 25.449 -17.040 17.997 1.00 53.22 O ATOM 0 H SER A 85 23.990 -14.403 18.102 1.00 21.13 H new ATOM 0 HA SER A 85 26.446 -15.069 19.125 1.00 50.52 H new ATOM 0 HB2 SER A 85 24.957 -15.631 16.579 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.650 -16.079 16.628 1.00 54.22 H new ATOM 0 HG SER A 85 25.268 -17.783 17.384 1.00 53.22 H new ATOM 1365 N GLU A 92 28.199 -2.229 3.508 1.00 73.32 N ATOM 1366 CA GLU A 92 28.061 -0.806 3.218 1.00 2.25 C ATOM 1367 C GLU A 92 27.659 -0.585 1.762 1.00 25.30 C ATOM 1368 O GLU A 92 27.972 -1.395 0.890 1.00 13.50 O ATOM 1369 CB GLU A 92 29.373 -0.075 3.513 1.00 43.31 C ATOM 1370 CG GLU A 92 30.596 -0.757 2.925 1.00 22.11 C ATOM 1371 CD GLU A 92 31.627 0.232 2.415 1.00 21.31 C ATOM 1372 OE1 GLU A 92 31.536 1.424 2.777 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.524 -0.187 1.654 1.00 32.20 O1- ATOM 0 HA GLU A 92 27.276 -0.404 3.859 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.310 0.940 3.120 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.498 0.008 4.593 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.052 -1.393 3.683 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.287 -1.408 2.107 1.00 22.11 H new ATOM 1380 N VAL A 93 26.962 0.518 1.508 1.00 70.21 N ATOM 1381 CA VAL A 93 26.517 0.848 0.160 1.00 61.32 C ATOM 1382 C VAL A 93 27.199 2.112 -0.350 1.00 43.24 C ATOM 1383 O VAL A 93 26.921 3.215 0.122 1.00 3.54 O ATOM 1384 CB VAL A 93 24.990 1.044 0.105 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.526 1.227 -1.331 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.279 -0.132 0.758 1.00 41.15 C ATOM 0 H VAL A 93 26.693 1.198 2.219 1.00 70.21 H new ATOM 0 HA VAL A 93 26.791 0.008 -0.478 1.00 61.32 H new ATOM 0 HB VAL A 93 24.737 1.947 0.661 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.445 1.364 -1.349 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.010 2.104 -1.761 1.00 24.13 H new ATOM 0 HG13 VAL A 93 24.790 0.345 -1.914 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.201 0.023 0.711 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.537 -1.051 0.232 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.589 -0.211 1.800 1.00 41.15 H new ATOM 1396 N VAL A 94 28.093 1.946 -1.320 1.00 55.22 N ATOM 1397 CA VAL A 94 28.815 3.073 -1.896 1.00 54.44 C ATOM 1398 C VAL A 94 28.727 3.062 -3.419 1.00 72.33 C ATOM 1399 O VAL A 94 29.330 2.216 -4.080 1.00 31.22 O ATOM 1400 CB VAL A 94 30.297 3.064 -1.480 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.026 4.262 -2.070 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.423 3.047 0.037 1.00 32.44 C ATOM 0 H VAL A 94 28.334 1.041 -1.723 1.00 55.22 H new ATOM 0 HA VAL A 94 28.344 3.978 -1.513 1.00 54.44 H new ATOM 0 HB VAL A 94 30.761 2.159 -1.872 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.072 4.238 -1.765 1.00 44.32 H new ATOM 0 HG12 VAL A 94 30.965 4.226 -3.158 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.564 5.182 -1.711 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.477 3.041 0.315 1.00 32.44 H new ATOM 0 HG22 VAL A 94 29.944 3.934 0.452 1.00 32.44 H new ATOM 0 HG23 VAL A 94 29.938 2.154 0.432 1.00 32.44 H new ATOM 1412 N PHE A 95 27.970 4.006 -3.969 1.00 74.21 N ATOM 1413 CA PHE A 95 27.802 4.105 -5.415 1.00 3.42 C ATOM 1414 C PHE A 95 28.156 5.504 -5.909 1.00 14.12 C ATOM 1415 O PHE A 95 27.853 6.502 -5.254 1.00 41.52 O ATOM 1416 CB PHE A 95 26.363 3.762 -5.807 1.00 1.11 C ATOM 1417 CG PHE A 95 26.131 2.292 -6.010 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.544 1.666 -7.175 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.502 1.535 -5.035 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.332 0.314 -7.365 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.287 0.183 -5.219 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.703 -0.429 -6.385 1.00 43.33 C ATOM 0 H PHE A 95 27.463 4.713 -3.436 1.00 74.21 H new ATOM 0 HA PHE A 95 28.479 3.391 -5.884 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.688 4.125 -5.032 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.109 4.292 -6.725 1.00 1.11 H new ATOM 0 HD1 PHE A 95 27.038 2.242 -7.944 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.176 2.008 -4.120 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.658 -0.161 -8.279 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.794 -0.395 -4.452 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.537 -1.486 -6.530 1.00 43.33 H new ATOM 1432 N THR A 96 28.800 5.570 -7.070 1.00 44.40 N ATOM 1433 CA THR A 96 29.198 6.845 -7.652 1.00 34.31 C ATOM 1434 C THR A 96 28.328 7.197 -8.853 1.00 25.23 C ATOM 1435 O THR A 96 27.914 6.318 -9.610 1.00 11.30 O ATOM 1436 CB THR A 96 30.674 6.828 -8.089 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.982 8.018 -8.822 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.970 5.608 -8.949 1.00 41.12 C ATOM 0 H THR A 96 29.057 4.754 -7.626 1.00 44.40 H new ATOM 0 HA THR A 96 29.066 7.600 -6.877 1.00 34.31 H new ATOM 0 HB THR A 96 31.294 6.782 -7.193 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.923 8.000 -9.095 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.019 5.618 -9.246 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.762 4.702 -8.379 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.341 5.629 -9.839 1.00 41.12 H new ATOM 1446 N ALA A 97 28.053 8.485 -9.024 1.00 2.00 N ATOM 1447 CA ALA A 97 27.234 8.952 -10.136 1.00 54.14 C ATOM 1448 C ALA A 97 28.055 9.056 -11.417 1.00 75.12 C ATOM 1449 O ALA A 97 29.277 9.195 -11.373 1.00 3.52 O ATOM 1450 CB ALA A 97 26.605 10.296 -9.800 1.00 3.33 C ATOM 0 H ALA A 97 28.386 9.225 -8.406 1.00 2.00 H new ATOM 0 HA ALA A 97 26.441 8.223 -10.302 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.996 10.633 -10.639 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.977 10.193 -8.915 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.390 11.027 -9.605 1.00 3.33 H new ATOM 1562 N TYR A 105 17.533 3.977 -4.367 1.00 3.31 N ATOM 1563 CA TYR A 105 17.909 5.063 -3.471 1.00 51.11 C ATOM 1564 C TYR A 105 17.955 4.584 -2.024 1.00 4.42 C ATOM 1565 O TYR A 105 18.553 5.229 -1.161 1.00 2.22 O ATOM 1566 CB TYR A 105 16.924 6.227 -3.605 1.00 3.13 C ATOM 1567 CG TYR A 105 16.604 6.587 -5.038 1.00 74.50 C ATOM 1568 CD1 TYR A 105 17.615 6.892 -5.941 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.290 6.622 -5.488 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.326 7.222 -7.251 1.00 51.10 C ATOM 1571 CE2 TYR A 105 14.992 6.950 -6.797 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.014 7.250 -7.674 1.00 33.34 C ATOM 1573 OH TYR A 105 15.723 7.578 -8.978 1.00 22.10 O ATOM 0 HA TYR A 105 18.905 5.405 -3.753 1.00 51.11 H new ATOM 0 HB2 TYR A 105 15.999 5.971 -3.088 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.338 7.102 -3.103 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.644 6.871 -5.613 1.00 22.34 H new ATOM 0 HD2 TYR A 105 14.488 6.389 -4.803 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.124 7.457 -7.940 1.00 51.10 H new ATOM 0 HE2 TYR A 105 13.965 6.971 -7.131 1.00 50.15 H new ATOM 0 HH TYR A 105 14.753 7.550 -9.114 1.00 22.10 H new ATOM 1583 N THR A 106 17.319 3.446 -1.763 1.00 40.24 N ATOM 1584 CA THR A 106 17.285 2.880 -0.421 1.00 32.41 C ATOM 1585 C THR A 106 18.497 1.989 -0.169 1.00 71.02 C ATOM 1586 O THR A 106 18.918 1.237 -1.049 1.00 75.23 O ATOM 1587 CB THR A 106 16.002 2.059 -0.190 1.00 75.32 C ATOM 1588 OG1 THR A 106 14.851 2.890 -0.369 1.00 50.12 O ATOM 1589 CG2 THR A 106 15.989 1.459 1.208 1.00 12.31 C ATOM 0 H THR A 106 16.820 2.898 -2.464 1.00 40.24 H new ATOM 0 HA THR A 106 17.302 3.718 0.276 1.00 32.41 H new ATOM 0 HB THR A 106 15.980 1.247 -0.917 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.352 2.944 0.473 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.074 0.884 1.349 1.00 12.31 H new ATOM 0 HG22 THR A 106 16.852 0.804 1.331 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.032 2.259 1.948 1.00 12.31 H new ATOM 1597 N ILE A 107 19.052 2.079 1.034 1.00 54.05 N ATOM 1598 CA ILE A 107 20.214 1.279 1.401 1.00 74.20 C ATOM 1599 C ILE A 107 19.796 -0.087 1.935 1.00 63.32 C ATOM 1600 O ILE A 107 19.247 -0.193 3.031 1.00 31.52 O ATOM 1601 CB ILE A 107 21.075 1.991 2.460 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.666 3.281 1.886 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.182 1.068 2.950 1.00 44.24 C ATOM 1604 CD1 ILE A 107 20.798 4.498 2.121 1.00 32.11 C ATOM 0 H ILE A 107 18.716 2.698 1.772 1.00 54.05 H new ATOM 0 HA ILE A 107 20.804 1.146 0.494 1.00 74.20 H new ATOM 0 HB ILE A 107 20.441 2.250 3.308 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.646 3.452 2.331 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.820 3.156 0.814 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.782 1.585 3.698 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.742 0.175 3.392 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.816 0.782 2.110 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.278 5.376 1.688 1.00 32.11 H new ATOM 0 HD12 ILE A 107 19.826 4.347 1.652 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.665 4.648 3.192 1.00 32.11 H new ATOM 1616 N ALA A 108 20.061 -1.128 1.154 1.00 21.23 N ATOM 1617 CA ALA A 108 19.715 -2.488 1.551 1.00 2.35 C ATOM 1618 C ALA A 108 20.882 -3.166 2.259 1.00 63.45 C ATOM 1619 O ALA A 108 21.910 -3.454 1.646 1.00 51.45 O ATOM 1620 CB ALA A 108 19.289 -3.299 0.336 1.00 32.14 C ATOM 0 H ALA A 108 20.514 -1.057 0.243 1.00 21.23 H new ATOM 0 HA ALA A 108 18.881 -2.436 2.250 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.033 -4.312 0.646 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.420 -2.831 -0.127 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.108 -3.335 -0.383 1.00 32.14 H new ATOM 1626 N ALA A 109 20.717 -3.419 3.553 1.00 63.22 N ATOM 1627 CA ALA A 109 21.758 -4.065 4.344 1.00 54.44 C ATOM 1628 C ALA A 109 21.195 -5.242 5.134 1.00 42.04 C ATOM 1629 O ALA A 109 20.402 -5.060 6.058 1.00 35.23 O ATOM 1630 CB ALA A 109 22.407 -3.059 5.283 1.00 2.42 C ATOM 0 H ALA A 109 19.873 -3.187 4.076 1.00 63.22 H new ATOM 0 HA ALA A 109 22.515 -4.449 3.660 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.182 -3.554 5.868 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.852 -2.252 4.701 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.653 -2.649 5.954 1.00 2.42 H new ATOM 1636 N MET A 110 21.609 -6.449 4.763 1.00 0.21 N ATOM 1637 CA MET A 110 21.146 -7.656 5.439 1.00 34.20 C ATOM 1638 C MET A 110 22.235 -8.226 6.341 1.00 44.24 C ATOM 1639 O MET A 110 23.354 -8.485 5.893 1.00 31.10 O ATOM 1640 CB MET A 110 20.716 -8.706 4.413 1.00 34.11 C ATOM 1641 CG MET A 110 19.364 -8.419 3.781 1.00 44.03 C ATOM 1642 SD MET A 110 18.669 -9.857 2.943 1.00 11.42 S ATOM 1643 CE MET A 110 17.754 -10.619 4.282 1.00 12.22 C ATOM 0 H MET A 110 22.263 -6.618 3.999 1.00 0.21 H new ATOM 0 HA MET A 110 20.289 -7.390 6.058 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.470 -8.765 3.628 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.682 -9.682 4.897 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.671 -8.083 4.552 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.467 -7.602 3.067 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.010 -11.677 4.342 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.010 -10.130 5.222 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.685 -10.514 4.098 1.00 12.22 H new ATOM 1653 N LEU A 111 21.904 -8.419 7.612 1.00 51.13 N ATOM 1654 CA LEU A 111 22.855 -8.959 8.579 1.00 21.14 C ATOM 1655 C LEU A 111 22.821 -10.484 8.581 1.00 54.03 C ATOM 1656 O LEU A 111 22.475 -11.105 9.586 1.00 63.05 O ATOM 1657 CB LEU A 111 22.545 -8.428 9.979 1.00 12.44 C ATOM 1658 CG LEU A 111 22.450 -6.908 10.115 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.513 -6.228 9.266 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.061 -6.424 9.723 1.00 62.42 C ATOM 0 H LEU A 111 20.984 -8.210 7.998 1.00 51.13 H new ATOM 0 HA LEU A 111 23.855 -8.637 8.289 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.601 -8.862 10.310 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.317 -8.786 10.661 1.00 12.44 H new ATOM 0 HG LEU A 111 22.625 -6.644 11.158 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.430 -5.147 9.376 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.501 -6.551 9.593 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.371 -6.498 8.220 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.011 -5.340 9.826 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.858 -6.700 8.688 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.318 -6.885 10.374 1.00 62.42 H new ATOM 1672 N SER A 112 23.187 -11.081 7.451 1.00 54.12 N ATOM 1673 CA SER A 112 23.197 -12.533 7.322 1.00 12.24 C ATOM 1674 C SER A 112 24.104 -13.165 8.374 1.00 22.43 C ATOM 1675 O SER A 112 24.975 -12.515 8.951 1.00 1.40 O ATOM 1676 CB SER A 112 23.661 -12.939 5.922 1.00 43.45 C ATOM 1677 OG SER A 112 24.466 -11.930 5.339 1.00 13.22 O ATOM 0 H SER A 112 23.480 -10.581 6.612 1.00 54.12 H new ATOM 0 HA SER A 112 22.181 -12.894 7.479 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.224 -13.871 5.978 1.00 43.45 H new ATOM 0 HB3 SER A 112 22.794 -13.128 5.289 1.00 43.45 H new ATOM 0 HG SER A 112 24.751 -12.214 4.446 1.00 13.22 H new