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 X(o=0,f=-0.0051) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -132:sc= -2 (180deg=-5.37!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.693 (180deg=-1.05) USER MOD Single : A 23 SER OG : rot 180:sc= -0.19 USER MOD Single : A 27 ASN : amide:sc= -3.38 X(o=-3.4,f=-3.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 106:sc= -0.096 USER MOD Single : A 50 SER OG : rot 99:sc= 0.00128 USER MOD Single : A 52 SER OG : rot -33:sc= 0.832 USER MOD Single : A 56 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.13) 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 -87:sc= -0.689 USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= -3.56 (180deg=-7.21!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 78 TYR OH : rot -158:sc= 0.797 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 55:sc= 0.733 USER MOD Single : A 110 MET CE :methyl -129:sc= -1.06 (180deg=-7.87!) USER MOD Single : A 112 SER OG : rot -84:sc= 0.0599 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 14.647 11.719 0.088 1.00 53.44 N ATOM 124 CA PRO A 11 15.437 11.345 -1.089 1.00 54.45 C ATOM 125 C PRO A 11 16.325 10.133 -0.830 1.00 45.03 C ATOM 126 O PRO A 11 16.547 9.312 -1.721 1.00 23.34 O ATOM 127 CB PRO A 11 16.292 12.587 -1.351 1.00 72.55 C ATOM 128 CG PRO A 11 16.398 13.262 -0.028 1.00 3.34 C ATOM 129 CD PRO A 11 15.098 12.990 0.680 1.00 61.21 C ATOM 0 HA PRO A 11 14.805 11.060 -1.930 1.00 54.45 H new ATOM 0 HB2 PRO A 11 17.275 12.316 -1.737 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.827 13.238 -2.091 1.00 72.55 H new ATOM 0 HG2 PRO A 11 17.242 12.873 0.542 1.00 3.34 H new ATOM 0 HG3 PRO A 11 16.561 14.333 -0.148 1.00 3.34 H new ATOM 0 HD2 PRO A 11 15.238 12.904 1.758 1.00 61.21 H new ATOM 0 HD3 PRO A 11 14.375 13.789 0.515 1.00 61.21 H new ATOM 137 N LEU A 12 16.828 10.025 0.395 1.00 63.12 N ATOM 138 CA LEU A 12 17.693 8.911 0.772 1.00 52.33 C ATOM 139 C LEU A 12 17.156 8.200 2.009 1.00 2.43 C ATOM 140 O LEU A 12 16.731 8.842 2.970 1.00 13.02 O ATOM 141 CB LEU A 12 19.115 9.409 1.032 1.00 40.22 C ATOM 142 CG LEU A 12 20.034 8.449 1.788 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.567 7.373 0.854 1.00 73.42 C ATOM 144 CD2 LEU A 12 21.180 9.209 2.438 1.00 15.23 C ATOM 0 H LEU A 12 16.652 10.695 1.144 1.00 63.12 H new ATOM 0 HA LEU A 12 17.710 8.200 -0.054 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.577 9.644 0.073 1.00 40.22 H new ATOM 0 HB3 LEU A 12 19.055 10.341 1.594 1.00 40.22 H new ATOM 0 HG LEU A 12 19.454 7.964 2.573 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.219 6.699 1.410 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.733 6.809 0.436 1.00 73.42 H new ATOM 0 HD13 LEU A 12 21.131 7.839 0.046 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.824 8.510 2.972 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.759 9.721 1.670 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.780 9.941 3.139 1.00 15.23 H new ATOM 156 N MET A 13 17.179 6.872 1.980 1.00 61.20 N ATOM 157 CA MET A 13 16.698 6.074 3.102 1.00 22.34 C ATOM 158 C MET A 13 17.589 4.856 3.326 1.00 2.51 C ATOM 159 O MET A 13 18.167 4.316 2.381 1.00 53.15 O ATOM 160 CB MET A 13 15.256 5.627 2.856 1.00 74.34 C ATOM 161 CG MET A 13 15.099 4.715 1.651 1.00 62.10 C ATOM 162 SD MET A 13 13.746 3.539 1.841 1.00 31.34 S ATOM 163 CE MET A 13 14.394 2.483 3.135 1.00 60.31 C ATOM 0 H MET A 13 17.526 6.325 1.192 1.00 61.20 H new ATOM 0 HA MET A 13 16.731 6.695 3.997 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.888 5.110 3.743 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.630 6.508 2.718 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.926 5.321 0.762 1.00 62.10 H new ATOM 0 HG3 MET A 13 16.029 4.170 1.489 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.270 1.439 2.848 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.453 2.696 3.282 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.854 2.671 4.063 1.00 60.31 H new ATOM 173 N VAL A 14 17.697 4.429 4.580 1.00 21.22 N ATOM 174 CA VAL A 14 18.517 3.275 4.926 1.00 2.34 C ATOM 175 C VAL A 14 17.653 2.054 5.218 1.00 34.21 C ATOM 176 O VAL A 14 16.686 2.131 5.976 1.00 35.53 O ATOM 177 CB VAL A 14 19.407 3.565 6.150 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.202 2.327 6.537 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.333 4.738 5.868 1.00 44.55 C ATOM 0 H VAL A 14 17.227 4.865 5.373 1.00 21.22 H new ATOM 0 HA VAL A 14 19.152 3.069 4.065 1.00 2.34 H new ATOM 0 HB VAL A 14 18.766 3.832 6.990 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.825 2.551 7.403 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.516 1.516 6.783 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.836 2.026 5.703 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.955 4.929 6.743 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.970 4.502 5.015 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.740 5.624 5.644 1.00 44.55 H new ATOM 189 N LYS A 15 18.007 0.926 4.611 1.00 20.03 N ATOM 190 CA LYS A 15 17.265 -0.314 4.806 1.00 34.30 C ATOM 191 C LYS A 15 18.172 -1.411 5.353 1.00 62.02 C ATOM 192 O LYS A 15 19.042 -1.920 4.647 1.00 61.44 O ATOM 193 CB LYS A 15 16.635 -0.768 3.487 1.00 53.00 C ATOM 194 CG LYS A 15 16.009 -2.150 3.556 1.00 15.14 C ATOM 195 CD LYS A 15 14.816 -2.176 4.498 1.00 41.01 C ATOM 196 CE LYS A 15 15.187 -2.766 5.850 1.00 63.11 C ATOM 197 NZ LYS A 15 14.079 -3.580 6.422 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.804 0.845 3.979 1.00 20.03 H new ATOM 0 HA LYS A 15 16.475 -0.125 5.533 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.873 -0.047 3.191 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.398 -0.762 2.709 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.693 -2.458 2.559 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.754 -2.872 3.891 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.436 -1.163 4.634 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.012 -2.762 4.052 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.077 -3.387 5.744 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.441 -1.961 6.540 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.216 -3.680 7.448 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.171 -3.108 6.238 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.076 -4.521 5.980 1.00 53.54 H new ATOM 211 N VAL A 16 17.963 -1.771 6.615 1.00 25.51 N ATOM 212 CA VAL A 16 18.761 -2.810 7.256 1.00 72.30 C ATOM 213 C VAL A 16 17.873 -3.915 7.819 1.00 42.30 C ATOM 214 O VAL A 16 17.023 -3.668 8.676 1.00 53.32 O ATOM 215 CB VAL A 16 19.625 -2.232 8.392 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.446 -3.330 9.049 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.526 -1.126 7.865 1.00 21.20 C ATOM 0 H VAL A 16 17.248 -1.359 7.214 1.00 25.51 H new ATOM 0 HA VAL A 16 19.414 -3.227 6.489 1.00 72.30 H new ATOM 0 HB VAL A 16 18.964 -1.804 9.146 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.050 -2.903 9.849 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.778 -4.086 9.462 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.099 -3.790 8.307 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.130 -0.729 8.681 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.181 -1.528 7.091 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.914 -0.328 7.444 1.00 21.20 H new ATOM 227 N LEU A 17 18.077 -5.135 7.333 1.00 45.53 N ATOM 228 CA LEU A 17 17.297 -6.279 7.788 1.00 34.25 C ATOM 229 C LEU A 17 18.188 -7.500 7.990 1.00 35.30 C ATOM 230 O LEU A 17 19.217 -7.646 7.331 1.00 14.24 O ATOM 231 CB LEU A 17 16.192 -6.602 6.781 1.00 4.15 C ATOM 232 CG LEU A 17 16.608 -7.444 5.574 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.084 -8.865 5.709 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.110 -6.811 4.284 1.00 44.01 C ATOM 0 H LEU A 17 18.776 -5.356 6.624 1.00 45.53 H new ATOM 0 HA LEU A 17 16.844 -6.020 8.745 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.392 -7.125 7.305 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.774 -5.663 6.417 1.00 4.15 H new ATOM 0 HG LEU A 17 17.697 -7.481 5.540 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.390 -9.449 4.841 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.490 -9.318 6.613 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.996 -8.847 5.770 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.416 -7.424 3.436 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.022 -6.742 4.309 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.535 -5.812 4.181 1.00 44.01 H new ATOM 246 N ASP A 18 17.784 -8.376 8.903 1.00 35.22 N ATOM 247 CA ASP A 18 18.545 -9.588 9.190 1.00 62.01 C ATOM 248 C ASP A 18 18.254 -10.670 8.154 1.00 31.11 C ATOM 249 O ASP A 18 17.098 -11.005 7.901 1.00 73.51 O ATOM 250 CB ASP A 18 18.215 -10.103 10.591 1.00 12.00 C ATOM 251 CG ASP A 18 19.161 -9.563 11.645 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.808 -8.527 11.386 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.254 -10.176 12.729 1.00 41.53 O ATOM 0 H ASP A 18 16.934 -8.270 9.457 1.00 35.22 H new ATOM 0 HA ASP A 18 19.606 -9.342 9.143 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.193 -9.823 10.846 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.257 -11.192 10.594 1.00 12.00 H new ATOM 258 N ALA A 19 19.312 -11.211 7.559 1.00 34.14 N ATOM 259 CA ALA A 19 19.170 -12.255 6.552 1.00 74.24 C ATOM 260 C ALA A 19 18.921 -13.613 7.200 1.00 42.11 C ATOM 261 O ALA A 19 18.749 -14.619 6.512 1.00 25.21 O ATOM 262 CB ALA A 19 20.408 -12.308 5.669 1.00 45.22 C ATOM 0 H ALA A 19 20.276 -10.944 7.757 1.00 34.14 H new ATOM 0 HA ALA A 19 18.306 -12.014 5.933 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.288 -13.092 4.921 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.540 -11.348 5.170 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.283 -12.522 6.282 1.00 45.22 H new ATOM 268 N VAL A 20 18.905 -13.635 8.530 1.00 34.04 N ATOM 269 CA VAL A 20 18.679 -14.870 9.271 1.00 21.35 C ATOM 270 C VAL A 20 17.194 -15.217 9.318 1.00 44.04 C ATOM 271 O VAL A 20 16.811 -16.374 9.141 1.00 43.12 O ATOM 272 CB VAL A 20 19.215 -14.766 10.710 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.110 -16.110 11.417 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.653 -14.268 10.708 1.00 3.13 C ATOM 0 H VAL A 20 19.046 -12.812 9.115 1.00 34.04 H new ATOM 0 HA VAL A 20 19.218 -15.659 8.746 1.00 21.35 H new ATOM 0 HB VAL A 20 18.605 -14.046 11.255 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.494 -16.018 12.433 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.066 -16.423 11.450 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.695 -16.853 10.875 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.016 -14.200 11.734 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.278 -14.963 10.147 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.696 -13.284 10.242 1.00 3.13 H new ATOM 284 N ARG A 21 16.363 -14.207 9.557 1.00 13.31 N ATOM 285 CA ARG A 21 14.921 -14.406 9.626 1.00 41.52 C ATOM 286 C ARG A 21 14.210 -13.635 8.519 1.00 40.44 C ATOM 287 O ARG A 21 13.085 -13.959 8.145 1.00 1.41 O ATOM 288 CB ARG A 21 14.390 -13.965 10.991 1.00 42.31 C ATOM 289 CG ARG A 21 15.271 -14.390 12.155 1.00 55.31 C ATOM 290 CD ARG A 21 16.263 -13.300 12.529 1.00 11.13 C ATOM 291 NE ARG A 21 17.228 -13.757 13.526 1.00 51.30 N ATOM 292 CZ ARG A 21 16.971 -13.804 14.829 1.00 13.52 C ATOM 293 NH1 ARG A 21 15.787 -13.423 15.289 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.900 -14.232 15.675 1.00 1.52 N ATOM 0 H ARG A 21 16.664 -13.244 9.706 1.00 13.31 H new ATOM 0 HA ARG A 21 14.720 -15.469 9.490 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.291 -12.880 10.999 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.391 -14.377 11.133 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.648 -14.628 13.017 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.810 -15.300 11.891 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.793 -12.970 11.636 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.723 -12.436 12.916 1.00 11.13 H new ATOM 0 HE ARG A 21 18.149 -14.056 13.205 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.071 -13.093 14.642 1.00 72.23 H new ATOM 0 HH12 ARG A 21 15.593 -13.460 16.290 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.812 -14.525 15.325 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.702 -14.268 16.675 1.00 1.52 H new ATOM 308 N GLY A 22 14.877 -12.610 7.997 1.00 74.32 N ATOM 309 CA GLY A 22 14.295 -11.807 6.938 1.00 71.21 C ATOM 310 C GLY A 22 13.573 -10.584 7.467 1.00 53.11 C ATOM 311 O GLY A 22 12.979 -9.825 6.702 1.00 34.42 O ATOM 0 H GLY A 22 15.811 -12.322 8.289 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.081 -11.492 6.251 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.597 -12.418 6.365 1.00 71.21 H new ATOM 315 N SER A 23 13.621 -10.393 8.781 1.00 51.51 N ATOM 316 CA SER A 23 12.961 -9.256 9.414 1.00 3.34 C ATOM 317 C SER A 23 13.914 -8.070 9.529 1.00 32.43 C ATOM 318 O SER A 23 15.134 -8.209 9.428 1.00 43.34 O ATOM 319 CB SER A 23 12.445 -9.646 10.800 1.00 71.44 C ATOM 320 OG SER A 23 13.074 -10.827 11.265 1.00 35.11 O ATOM 0 H SER A 23 14.110 -11.011 9.429 1.00 51.51 H new ATOM 0 HA SER A 23 12.117 -8.963 8.789 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.628 -8.832 11.502 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.366 -9.796 10.761 1.00 71.44 H new ATOM 0 HG SER A 23 12.728 -11.054 12.153 1.00 35.11 H new ATOM 326 N PRO A 24 13.346 -6.875 9.745 1.00 34.11 N ATOM 327 CA PRO A 24 14.125 -5.640 9.881 1.00 75.01 C ATOM 328 C PRO A 24 14.930 -5.601 11.174 1.00 32.44 C ATOM 329 O PRO A 24 14.542 -6.200 12.176 1.00 65.23 O ATOM 330 CB PRO A 24 13.057 -4.544 9.882 1.00 55.43 C ATOM 331 CG PRO A 24 11.823 -5.220 10.374 1.00 2.33 C ATOM 332 CD PRO A 24 11.898 -6.637 9.876 1.00 25.13 C ATOM 0 HA PRO A 24 14.862 -5.534 9.085 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.340 -3.715 10.531 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.912 -4.132 8.884 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.770 -5.192 11.462 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.929 -4.722 9.999 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.438 -7.334 10.576 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.383 -6.756 8.923 1.00 25.13 H new ATOM 340 N ALA A 25 16.054 -4.892 11.146 1.00 41.01 N ATOM 341 CA ALA A 25 16.912 -4.773 12.318 1.00 63.44 C ATOM 342 C ALA A 25 16.623 -3.485 13.081 1.00 30.11 C ATOM 343 O ALA A 25 16.465 -2.420 12.483 1.00 75.14 O ATOM 344 CB ALA A 25 18.376 -4.829 11.908 1.00 64.11 C ATOM 0 H ALA A 25 16.391 -4.391 10.324 1.00 41.01 H new ATOM 0 HA ALA A 25 16.699 -5.612 12.980 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.005 -4.739 12.793 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.579 -5.779 11.413 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.594 -4.009 11.223 1.00 64.11 H new ATOM 350 N ILE A 26 16.556 -3.589 14.404 1.00 43.00 N ATOM 351 CA ILE A 26 16.286 -2.431 15.248 1.00 13.15 C ATOM 352 C ILE A 26 17.550 -1.967 15.964 1.00 11.44 C ATOM 353 O ILE A 26 18.340 -2.781 16.440 1.00 75.40 O ATOM 354 CB ILE A 26 15.199 -2.739 16.296 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.816 -2.387 15.746 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.474 -1.976 17.584 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.438 -0.936 15.946 1.00 11.12 C ATOM 0 H ILE A 26 16.685 -4.463 14.915 1.00 43.00 H new ATOM 0 HA ILE A 26 15.931 -1.637 14.591 1.00 13.15 H new ATOM 0 HB ILE A 26 15.220 -3.806 16.518 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.788 -2.618 14.681 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.070 -3.018 16.229 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.698 -2.204 18.315 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.445 -2.272 17.982 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.477 -0.905 17.379 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.446 -0.758 15.532 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.434 -0.705 17.011 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.162 -0.298 15.439 1.00 11.12 H new ATOM 369 N ASN A 27 17.732 -0.653 16.038 1.00 72.15 N ATOM 370 CA ASN A 27 18.900 -0.079 16.698 1.00 74.24 C ATOM 371 C ASN A 27 20.184 -0.482 15.978 1.00 65.44 C ATOM 372 O ASN A 27 21.060 -1.121 16.561 1.00 74.45 O ATOM 373 CB ASN A 27 18.958 -0.528 18.159 1.00 42.11 C ATOM 374 CG ASN A 27 17.655 -0.278 18.894 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.221 -1.095 19.705 1.00 33.42 O ATOM 376 ND2 ASN A 27 17.026 0.856 18.610 1.00 65.05 N ATOM 0 H ASN A 27 17.086 0.035 15.650 1.00 72.15 H new ATOM 0 HA ASN A 27 18.810 1.007 16.662 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.197 -1.591 18.200 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.765 0.000 18.667 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.144 1.080 19.072 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.424 1.504 17.930 1.00 65.05 H new ATOM 383 N VAL A 28 20.287 -0.104 14.708 1.00 63.23 N ATOM 384 CA VAL A 28 21.465 -0.423 13.909 1.00 64.00 C ATOM 385 C VAL A 28 22.231 0.839 13.530 1.00 62.33 C ATOM 386 O VAL A 28 21.756 1.650 12.734 1.00 75.42 O ATOM 387 CB VAL A 28 21.082 -1.184 12.626 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.324 -1.521 11.814 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.300 -2.444 12.967 1.00 70.12 C ATOM 0 H VAL A 28 19.570 0.423 14.210 1.00 63.23 H new ATOM 0 HA VAL A 28 22.102 -1.059 14.524 1.00 64.00 H new ATOM 0 HB VAL A 28 20.444 -0.541 12.020 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.034 -2.059 10.911 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.839 -0.601 11.539 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.990 -2.145 12.410 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.038 -2.969 12.049 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.911 -3.093 13.594 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.390 -2.174 13.503 1.00 70.12 H new ATOM 399 N ALA A 29 23.419 0.998 14.103 1.00 51.31 N ATOM 400 CA ALA A 29 24.253 2.160 13.822 1.00 14.44 C ATOM 401 C ALA A 29 24.500 2.310 12.326 1.00 34.01 C ATOM 402 O ALA A 29 24.916 1.365 11.657 1.00 1.50 O ATOM 403 CB ALA A 29 25.574 2.054 14.569 1.00 51.41 C ATOM 0 H ALA A 29 23.826 0.337 14.765 1.00 51.31 H new ATOM 0 HA ALA A 29 23.723 3.048 14.166 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.187 2.928 14.350 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.383 2.004 15.641 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.100 1.154 14.252 1.00 51.41 H new ATOM 409 N VAL A 30 24.239 3.506 11.805 1.00 53.05 N ATOM 410 CA VAL A 30 24.433 3.779 10.386 1.00 30.12 C ATOM 411 C VAL A 30 25.076 5.146 10.173 1.00 13.12 C ATOM 412 O VAL A 30 24.649 6.142 10.757 1.00 14.35 O ATOM 413 CB VAL A 30 23.101 3.726 9.615 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.345 3.820 8.117 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.337 2.456 9.961 1.00 21.10 C ATOM 0 H VAL A 30 23.893 4.300 12.344 1.00 53.05 H new ATOM 0 HA VAL A 30 25.096 3.003 10.003 1.00 30.12 H new ATOM 0 HB VAL A 30 22.495 4.581 9.913 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.392 3.781 7.590 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.848 4.760 7.888 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.971 2.987 7.797 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.398 2.434 9.408 1.00 21.10 H new ATOM 0 HG22 VAL A 30 22.937 1.586 9.693 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.128 2.437 11.031 1.00 21.10 H new ATOM 425 N HIS A 31 26.105 5.186 9.332 1.00 64.03 N ATOM 426 CA HIS A 31 26.807 6.430 9.041 1.00 64.42 C ATOM 427 C HIS A 31 26.874 6.677 7.537 1.00 32.44 C ATOM 428 O HIS A 31 27.445 5.879 6.792 1.00 61.22 O ATOM 429 CB HIS A 31 28.218 6.394 9.628 1.00 31.03 C ATOM 430 CG HIS A 31 28.257 5.989 11.069 1.00 51.53 C ATOM 431 ND1 HIS A 31 29.107 5.019 11.555 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.545 6.431 12.132 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.916 4.879 12.855 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.973 5.725 13.230 1.00 41.10 N ATOM 0 H HIS A 31 26.471 4.371 8.840 1.00 64.03 H new ATOM 0 HA HIS A 31 26.252 7.248 9.501 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.826 5.700 9.048 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.671 7.380 9.524 1.00 31.03 H new ATOM 0 HD2 HIS A 31 26.783 7.196 12.119 1.00 62.03 H new ATOM 0 HE1 HIS A 31 29.441 4.191 13.501 1.00 20.24 H new ATOM 0 HE2 HIS A 31 27.620 5.836 14.181 1.00 41.10 H new ATOM 442 N VAL A 32 26.288 7.786 7.096 1.00 24.00 N ATOM 443 CA VAL A 32 26.283 8.137 5.681 1.00 4.03 C ATOM 444 C VAL A 32 27.320 9.212 5.377 1.00 11.32 C ATOM 445 O VAL A 32 27.466 10.178 6.127 1.00 31.44 O ATOM 446 CB VAL A 32 24.896 8.635 5.232 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.851 8.799 3.720 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.810 7.682 5.705 1.00 32.45 C ATOM 0 H VAL A 32 25.811 8.457 7.699 1.00 24.00 H new ATOM 0 HA VAL A 32 26.532 7.231 5.129 1.00 4.03 H new ATOM 0 HB VAL A 32 24.715 9.610 5.685 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.864 9.151 3.421 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.604 9.524 3.410 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.053 7.840 3.244 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.837 8.049 5.379 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.985 6.693 5.282 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.829 7.620 6.793 1.00 32.45 H new ATOM 458 N PHE A 33 28.038 9.039 4.274 1.00 51.12 N ATOM 459 CA PHE A 33 29.063 9.995 3.870 1.00 51.45 C ATOM 460 C PHE A 33 28.882 10.404 2.411 1.00 55.55 C ATOM 461 O PHE A 33 28.153 9.757 1.661 1.00 10.22 O ATOM 462 CB PHE A 33 30.457 9.397 4.074 1.00 10.20 C ATOM 463 CG PHE A 33 30.880 9.339 5.514 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.376 8.364 6.360 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.783 10.260 6.022 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.763 8.310 7.686 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.174 10.210 7.346 1.00 73.04 C ATOM 468 CZ PHE A 33 31.664 9.233 8.179 1.00 5.30 C ATOM 0 H PHE A 33 27.930 8.245 3.643 1.00 51.12 H new ATOM 0 HA PHE A 33 28.961 10.883 4.493 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.476 8.390 3.657 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.182 9.987 3.514 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.673 7.638 5.979 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.185 11.026 5.375 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.361 7.547 8.336 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.878 10.934 7.730 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.969 9.191 9.214 1.00 5.30 H new ATOM 478 N ARG A 34 29.550 11.483 2.019 1.00 64.43 N ATOM 479 CA ARG A 34 29.461 11.981 0.652 1.00 65.22 C ATOM 480 C ARG A 34 30.848 12.281 0.091 1.00 15.34 C ATOM 481 O ARG A 34 31.712 12.809 0.792 1.00 10.42 O ATOM 482 CB ARG A 34 28.595 13.241 0.600 1.00 44.03 C ATOM 483 CG ARG A 34 28.423 13.805 -0.802 1.00 42.14 C ATOM 484 CD ARG A 34 29.456 14.880 -1.100 1.00 65.22 C ATOM 485 NE ARG A 34 29.170 15.580 -2.349 1.00 22.33 N ATOM 486 CZ ARG A 34 29.291 15.023 -3.549 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.689 13.763 -3.661 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.013 15.725 -4.639 1.00 1.52 N ATOM 0 H ARG A 34 30.159 12.029 2.628 1.00 64.43 H new ATOM 0 HA ARG A 34 29.000 11.206 0.040 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.613 13.014 1.014 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.041 14.005 1.237 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.512 13.001 -1.532 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.421 14.222 -0.907 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.480 15.597 -0.280 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.446 14.427 -1.157 1.00 65.22 H new ATOM 0 HE ARG A 34 28.860 16.550 -2.297 1.00 22.33 H new ATOM 0 HH11 ARG A 34 29.903 13.219 -2.825 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.781 13.337 -4.583 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.706 16.694 -4.557 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.106 15.296 -5.560 1.00 1.52 H new ATOM 502 N LYS A 35 31.055 11.941 -1.177 1.00 52.41 N ATOM 503 CA LYS A 35 32.336 12.174 -1.833 1.00 13.50 C ATOM 504 C LYS A 35 32.698 13.655 -1.809 1.00 22.12 C ATOM 505 O LYS A 35 32.090 14.465 -2.509 1.00 23.40 O ATOM 506 CB LYS A 35 32.291 11.672 -3.278 1.00 52.13 C ATOM 507 CG LYS A 35 33.348 12.298 -4.173 1.00 14.31 C ATOM 508 CD LYS A 35 34.751 11.972 -3.690 1.00 53.52 C ATOM 509 CE LYS A 35 35.094 10.508 -3.923 1.00 23.31 C ATOM 510 NZ LYS A 35 35.874 10.315 -5.178 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.351 11.503 -1.771 1.00 52.41 H new ATOM 0 HA LYS A 35 33.101 11.622 -1.287 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.418 10.589 -3.282 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.305 11.878 -3.695 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.221 11.938 -5.194 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.212 13.379 -4.197 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.472 12.603 -4.210 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.834 12.202 -2.628 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.668 10.130 -3.077 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.176 9.923 -3.972 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.088 9.305 -5.302 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.317 10.652 -5.989 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.762 10.853 -5.121 1.00 21.52 H new ATOM 524 N ALA A 36 33.693 14.004 -1.000 1.00 11.43 N ATOM 525 CA ALA A 36 34.138 15.388 -0.888 1.00 5.53 C ATOM 526 C ALA A 36 34.839 15.844 -2.164 1.00 3.33 C ATOM 527 O ALA A 36 35.381 15.030 -2.910 1.00 43.41 O ATOM 528 CB ALA A 36 35.062 15.550 0.310 1.00 65.22 C ATOM 0 H ALA A 36 34.206 13.347 -0.412 1.00 11.43 H new ATOM 0 HA ALA A 36 33.259 16.016 -0.743 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.387 16.588 0.381 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.530 15.273 1.220 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.932 14.905 0.188 1.00 65.22 H new ATOM 534 N ALA A 37 34.822 17.150 -2.407 1.00 31.41 N ATOM 535 CA ALA A 37 35.456 17.715 -3.592 1.00 53.45 C ATOM 536 C ALA A 37 36.949 17.404 -3.616 1.00 42.42 C ATOM 537 O ALA A 37 37.590 17.471 -4.664 1.00 11.14 O ATOM 538 CB ALA A 37 35.226 19.218 -3.649 1.00 43.21 C ATOM 0 H ALA A 37 34.376 17.837 -1.799 1.00 31.41 H new ATOM 0 HA ALA A 37 35.002 17.257 -4.470 1.00 53.45 H new ATOM 0 HB1 ALA A 37 35.705 19.626 -4.539 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.156 19.421 -3.688 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.652 19.685 -2.761 1.00 43.21 H new ATOM 544 N ASP A 38 37.496 17.067 -2.452 1.00 21.45 N ATOM 545 CA ASP A 38 38.915 16.747 -2.340 1.00 71.21 C ATOM 546 C ASP A 38 39.142 15.242 -2.444 1.00 42.43 C ATOM 547 O ASP A 38 40.207 14.739 -2.085 1.00 64.32 O ATOM 548 CB ASP A 38 39.473 17.269 -1.016 1.00 40.43 C ATOM 549 CG ASP A 38 40.020 18.678 -1.134 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.847 18.919 -2.037 1.00 35.52 O ATOM 551 OD2 ASP A 38 39.623 19.539 -0.321 1.00 52.21 O1- ATOM 0 H ASP A 38 36.979 17.008 -1.575 1.00 21.45 H new ATOM 0 HA ASP A 38 39.439 17.233 -3.163 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.687 17.249 -0.261 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.264 16.603 -0.670 1.00 40.43 H new ATOM 556 N ASP A 39 38.135 14.529 -2.937 1.00 23.33 N ATOM 557 CA ASP A 39 38.224 13.082 -3.089 1.00 64.41 C ATOM 558 C ASP A 39 38.333 12.399 -1.729 1.00 62.43 C ATOM 559 O ASP A 39 39.075 11.429 -1.566 1.00 42.41 O ATOM 560 CB ASP A 39 39.429 12.712 -3.956 1.00 53.30 C ATOM 561 CG ASP A 39 39.670 13.714 -5.068 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.685 14.140 -5.708 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.843 14.073 -5.298 1.00 73.02 O1- ATOM 0 H ASP A 39 37.247 14.930 -3.238 1.00 23.33 H new ATOM 0 HA ASP A 39 37.314 12.736 -3.578 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.318 12.648 -3.329 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.272 11.724 -4.389 1.00 53.30 H new ATOM 568 N THR A 40 37.589 12.911 -0.754 1.00 24.15 N ATOM 569 CA THR A 40 37.604 12.353 0.593 1.00 43.05 C ATOM 570 C THR A 40 36.209 11.909 1.019 1.00 61.51 C ATOM 571 O THR A 40 35.276 11.905 0.214 1.00 34.22 O ATOM 572 CB THR A 40 38.141 13.370 1.617 1.00 44.50 C ATOM 573 OG1 THR A 40 37.132 14.340 1.920 1.00 41.21 O ATOM 574 CG2 THR A 40 39.381 14.072 1.085 1.00 21.33 C ATOM 0 H THR A 40 36.968 13.712 -0.872 1.00 24.15 H new ATOM 0 HA THR A 40 38.267 11.488 0.569 1.00 43.05 H new ATOM 0 HB THR A 40 38.410 12.829 2.524 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.481 14.982 2.573 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.741 14.785 1.826 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.158 13.335 0.883 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.133 14.600 0.164 1.00 21.33 H new ATOM 582 N TRP A 41 36.073 11.536 2.285 1.00 45.03 N ATOM 583 CA TRP A 41 34.790 11.090 2.818 1.00 2.42 C ATOM 584 C TRP A 41 34.240 12.095 3.823 1.00 70.44 C ATOM 585 O TRP A 41 34.735 12.197 4.946 1.00 32.21 O ATOM 586 CB TRP A 41 34.938 9.718 3.477 1.00 70.13 C ATOM 587 CG TRP A 41 35.016 8.591 2.493 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.743 8.561 1.337 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.340 7.332 2.576 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.560 7.359 0.697 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.704 6.586 1.437 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.463 6.760 3.503 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.222 5.302 1.202 1.00 60.44 C ATOM 594 CZ3 TRP A 41 32.985 5.485 3.268 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.365 4.767 2.125 1.00 75.05 C ATOM 0 H TRP A 41 36.835 11.533 2.963 1.00 45.03 H new ATOM 0 HA TRP A 41 34.087 11.012 1.989 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.836 9.715 4.094 1.00 70.13 H new ATOM 0 HB3 TRP A 41 34.092 9.550 4.144 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.370 9.364 0.979 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.991 7.086 -0.186 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.165 7.305 4.386 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.514 4.747 0.322 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.307 5.034 3.977 1.00 61.10 H new ATOM 0 HH2 TRP A 41 32.974 3.772 1.970 1.00 75.05 H new ATOM 606 N GLU A 42 33.213 12.833 3.415 1.00 73.10 N ATOM 607 CA GLU A 42 32.596 13.830 4.283 1.00 54.20 C ATOM 608 C GLU A 42 31.322 13.284 4.919 1.00 4.34 C ATOM 609 O GLU A 42 30.616 12.456 4.344 1.00 73.22 O ATOM 610 CB GLU A 42 32.279 15.101 3.491 1.00 31.41 C ATOM 611 CG GLU A 42 33.505 15.939 3.169 1.00 53.13 C ATOM 612 CD GLU A 42 33.807 16.968 4.242 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.849 17.535 4.806 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 35.002 17.206 4.516 1.00 64.44 O ATOM 0 H GLU A 42 32.790 12.760 2.490 1.00 73.10 H new ATOM 0 HA GLU A 42 33.303 14.071 5.077 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.783 14.825 2.560 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.574 15.707 4.060 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.367 15.283 3.047 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.353 16.447 2.216 1.00 53.13 H new ATOM 621 N PRO A 43 31.021 13.757 6.137 1.00 54.34 N ATOM 622 CA PRO A 43 29.831 13.330 6.881 1.00 24.43 C ATOM 623 C PRO A 43 28.540 13.845 6.253 1.00 42.40 C ATOM 624 O PRO A 43 28.322 15.054 6.162 1.00 63.02 O ATOM 625 CB PRO A 43 30.036 13.948 8.265 1.00 15.11 C ATOM 626 CG PRO A 43 30.918 15.126 8.028 1.00 23.24 C ATOM 627 CD PRO A 43 31.817 14.745 6.884 1.00 63.44 C ATOM 0 HA PRO A 43 29.727 12.245 6.896 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.087 14.247 8.709 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.499 13.238 8.951 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.330 16.011 7.785 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.499 15.364 8.919 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.069 15.607 6.267 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.757 14.320 7.236 1.00 63.44 H new ATOM 635 N PHE A 44 27.687 12.922 5.823 1.00 23.33 N ATOM 636 CA PHE A 44 26.417 13.283 5.204 1.00 30.03 C ATOM 637 C PHE A 44 25.265 13.120 6.190 1.00 11.52 C ATOM 638 O PHE A 44 24.373 13.966 6.265 1.00 21.02 O ATOM 639 CB PHE A 44 26.167 12.422 3.964 1.00 54.34 C ATOM 640 CG PHE A 44 24.922 12.799 3.213 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.678 12.367 3.645 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.995 13.587 2.075 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.531 12.712 2.956 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.850 13.937 1.383 1.00 24.11 C ATOM 645 CZ PHE A 44 22.617 13.499 1.824 1.00 75.12 C ATOM 0 H PHE A 44 27.852 11.918 5.892 1.00 23.33 H new ATOM 0 HA PHE A 44 26.472 14.330 4.906 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.024 12.505 3.295 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.097 11.377 4.265 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.604 11.753 4.531 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.957 13.931 1.725 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.568 12.367 3.302 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.920 14.552 0.498 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.722 13.771 1.285 1.00 75.12 H new ATOM 655 N ALA A 45 25.290 12.027 6.945 1.00 71.23 N ATOM 656 CA ALA A 45 24.249 11.753 7.929 1.00 64.43 C ATOM 657 C ALA A 45 24.643 10.593 8.837 1.00 24.31 C ATOM 658 O ALA A 45 25.683 9.964 8.640 1.00 5.31 O ATOM 659 CB ALA A 45 22.930 11.456 7.231 1.00 55.21 C ATOM 0 H ALA A 45 26.020 11.316 6.894 1.00 71.23 H new ATOM 0 HA ALA A 45 24.127 12.640 8.550 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.161 11.253 7.977 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.635 12.316 6.630 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.048 10.586 6.585 1.00 55.21 H new ATOM 665 N SER A 46 23.807 10.316 9.832 1.00 61.42 N ATOM 666 CA SER A 46 24.071 9.234 10.773 1.00 20.23 C ATOM 667 C SER A 46 22.866 8.996 11.678 1.00 55.20 C ATOM 668 O SER A 46 22.081 9.907 11.939 1.00 65.33 O ATOM 669 CB SER A 46 25.303 9.556 11.620 1.00 30.24 C ATOM 670 OG SER A 46 25.148 9.082 12.946 1.00 45.23 O ATOM 0 H SER A 46 22.941 10.826 10.007 1.00 61.42 H new ATOM 0 HA SER A 46 24.260 8.326 10.201 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.186 9.103 11.170 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.468 10.633 11.633 1.00 30.24 H new ATOM 0 HG SER A 46 25.949 9.299 13.467 1.00 45.23 H new ATOM 676 N GLY A 47 22.726 7.762 12.154 1.00 22.52 N ATOM 677 CA GLY A 47 21.614 7.424 13.025 1.00 13.24 C ATOM 678 C GLY A 47 21.471 5.929 13.227 1.00 23.24 C ATOM 679 O GLY A 47 22.427 5.175 13.044 1.00 53.34 O ATOM 0 H GLY A 47 23.362 6.991 11.952 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.754 7.907 13.992 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.691 7.820 12.602 1.00 13.24 H new ATOM 683 N LYS A 48 20.274 5.497 13.610 1.00 71.53 N ATOM 684 CA LYS A 48 20.007 4.082 13.840 1.00 65.33 C ATOM 685 C LYS A 48 18.742 3.642 13.110 1.00 1.25 C ATOM 686 O LYS A 48 17.705 4.302 13.189 1.00 42.23 O ATOM 687 CB LYS A 48 19.867 3.806 15.339 1.00 75.34 C ATOM 688 CG LYS A 48 21.166 3.384 16.003 1.00 22.40 C ATOM 689 CD LYS A 48 20.981 3.153 17.493 1.00 43.34 C ATOM 690 CE LYS A 48 20.651 4.448 18.221 1.00 30.21 C ATOM 691 NZ LYS A 48 21.219 4.471 19.598 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.472 6.108 13.768 1.00 71.53 H new ATOM 0 HA LYS A 48 20.848 3.510 13.449 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.491 4.703 15.832 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.122 3.025 15.488 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.535 2.471 15.535 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.923 4.152 15.844 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.181 2.430 17.654 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.890 2.721 17.911 1.00 43.34 H new ATOM 0 HE2 LYS A 48 21.041 5.293 17.653 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.569 4.570 18.272 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.972 5.369 20.060 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.828 3.680 20.148 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.254 4.380 19.548 1.00 35.43 H new ATOM 705 N THR A 49 18.834 2.521 12.401 1.00 51.42 N ATOM 706 CA THR A 49 17.696 1.992 11.659 1.00 70.12 C ATOM 707 C THR A 49 16.491 1.790 12.569 1.00 10.11 C ATOM 708 O THR A 49 16.590 1.932 13.788 1.00 53.44 O ATOM 709 CB THR A 49 18.043 0.654 10.979 1.00 52.42 C ATOM 710 OG1 THR A 49 18.243 -0.360 11.970 1.00 74.22 O ATOM 711 CG2 THR A 49 19.294 0.789 10.124 1.00 34.12 C ATOM 0 H THR A 49 19.684 1.962 12.325 1.00 51.42 H new ATOM 0 HA THR A 49 17.449 2.727 10.893 1.00 70.12 H new ATOM 0 HB THR A 49 17.211 0.373 10.334 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.473 -0.966 11.978 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.519 -0.169 9.654 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.128 1.541 9.353 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.133 1.091 10.751 1.00 34.12 H new ATOM 719 N SER A 50 15.352 1.457 11.971 1.00 34.50 N ATOM 720 CA SER A 50 14.125 1.238 12.728 1.00 20.42 C ATOM 721 C SER A 50 13.509 -0.114 12.384 1.00 73.51 C ATOM 722 O SER A 50 13.976 -0.810 11.482 1.00 35.41 O ATOM 723 CB SER A 50 13.121 2.356 12.446 1.00 43.22 C ATOM 724 OG SER A 50 13.609 3.607 12.896 1.00 64.44 O ATOM 0 H SER A 50 15.253 1.333 10.963 1.00 34.50 H new ATOM 0 HA SER A 50 14.375 1.244 13.789 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.918 2.405 11.376 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.175 2.132 12.940 1.00 43.22 H new ATOM 0 HG SER A 50 13.991 4.100 12.140 1.00 64.44 H new ATOM 730 N GLU A 51 12.455 -0.480 13.109 1.00 30.32 N ATOM 731 CA GLU A 51 11.775 -1.749 12.881 1.00 23.23 C ATOM 732 C GLU A 51 11.045 -1.742 11.541 1.00 40.22 C ATOM 733 O GLU A 51 10.543 -2.771 11.090 1.00 52.42 O ATOM 734 CB GLU A 51 10.784 -2.032 14.012 1.00 74.31 C ATOM 735 CG GLU A 51 9.896 -0.848 14.353 1.00 31.32 C ATOM 736 CD GLU A 51 8.419 -1.174 14.235 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.863 -1.762 15.186 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.820 -0.843 13.191 1.00 65.12 O1- ATOM 0 H GLU A 51 12.055 0.085 13.858 1.00 30.32 H new ATOM 0 HA GLU A 51 12.528 -2.537 12.861 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.156 -2.877 13.730 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.337 -2.329 14.903 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.111 -0.518 15.369 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.135 -0.016 13.690 1.00 31.32 H new ATOM 745 N SER A 52 10.989 -0.573 10.910 1.00 1.54 N ATOM 746 CA SER A 52 10.317 -0.430 9.624 1.00 44.12 C ATOM 747 C SER A 52 11.327 -0.418 8.481 1.00 3.03 C ATOM 748 O SER A 52 10.959 -0.291 7.315 1.00 54.51 O ATOM 749 CB SER A 52 9.487 0.856 9.599 1.00 55.52 C ATOM 750 OG SER A 52 8.792 0.990 8.372 1.00 34.12 O ATOM 0 H SER A 52 11.401 0.288 11.269 1.00 1.54 H new ATOM 0 HA SER A 52 9.654 -1.285 9.491 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.776 0.850 10.425 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.139 1.717 9.747 1.00 55.52 H new ATOM 0 HG SER A 52 9.324 0.595 7.650 1.00 34.12 H new ATOM 756 N GLY A 53 12.603 -0.554 8.827 1.00 14.45 N ATOM 757 CA GLY A 53 13.648 -0.556 7.819 1.00 40.03 C ATOM 758 C GLY A 53 13.891 0.819 7.232 1.00 14.23 C ATOM 759 O GLY A 53 14.382 0.944 6.110 1.00 21.34 O ATOM 0 H GLY A 53 12.932 -0.663 9.786 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.573 -0.928 8.260 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.376 -1.246 7.020 1.00 40.03 H new ATOM 763 N GLU A 54 13.544 1.855 7.989 1.00 31.13 N ATOM 764 CA GLU A 54 13.724 3.229 7.534 1.00 52.11 C ATOM 765 C GLU A 54 14.419 4.068 8.601 1.00 0.31 C ATOM 766 O GLU A 54 14.316 3.785 9.796 1.00 51.32 O ATOM 767 CB GLU A 54 12.373 3.853 7.178 1.00 40.52 C ATOM 768 CG GLU A 54 11.503 4.150 8.388 1.00 10.03 C ATOM 769 CD GLU A 54 11.765 5.525 8.972 1.00 73.01 C ATOM 770 OE1 GLU A 54 11.871 6.492 8.188 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 11.864 5.634 10.211 1.00 31.31 O ATOM 0 H GLU A 54 13.137 1.769 8.920 1.00 31.13 H new ATOM 0 HA GLU A 54 14.353 3.211 6.644 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.543 4.778 6.627 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.835 3.179 6.511 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.454 4.074 8.104 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.681 3.394 9.153 1.00 10.03 H new ATOM 778 N LEU A 55 15.129 5.102 8.162 1.00 5.54 N ATOM 779 CA LEU A 55 15.843 5.985 9.079 1.00 34.15 C ATOM 780 C LEU A 55 15.600 7.449 8.726 1.00 70.31 C ATOM 781 O LEU A 55 16.072 7.936 7.698 1.00 34.41 O ATOM 782 CB LEU A 55 17.342 5.681 9.046 1.00 4.21 C ATOM 783 CG LEU A 55 18.026 5.530 10.404 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.510 5.242 10.226 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.821 6.780 11.247 1.00 14.12 C ATOM 0 H LEU A 55 15.226 5.350 7.177 1.00 5.54 H new ATOM 0 HA LEU A 55 15.465 5.807 10.086 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.493 4.761 8.481 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.842 6.479 8.496 1.00 4.21 H new ATOM 0 HG LEU A 55 17.573 4.687 10.925 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.980 5.138 11.204 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.636 4.318 9.662 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.978 6.064 9.684 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.315 6.654 12.210 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.246 7.641 10.731 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.755 6.942 11.404 1.00 14.12 H new ATOM 797 N HIS A 56 14.863 8.145 9.585 1.00 5.15 N ATOM 798 CA HIS A 56 14.561 9.554 9.366 1.00 13.42 C ATOM 799 C HIS A 56 15.561 10.445 10.096 1.00 51.22 C ATOM 800 O HIS A 56 16.217 10.013 11.042 1.00 34.12 O ATOM 801 CB HIS A 56 13.141 9.872 9.835 1.00 32.12 C ATOM 802 CG HIS A 56 12.898 9.541 11.276 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.031 8.550 11.685 1.00 23.11 N ATOM 804 CD2 HIS A 56 13.416 10.077 12.406 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.025 8.491 13.005 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.858 9.406 13.466 1.00 3.25 N ATOM 0 H HIS A 56 14.464 7.756 10.439 1.00 5.15 H new ATOM 0 HA HIS A 56 14.636 9.753 8.297 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.943 10.932 9.676 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.431 9.320 9.219 1.00 32.12 H new ATOM 0 HD2 HIS A 56 14.134 10.882 12.463 1.00 72.43 H new ATOM 0 HE1 HIS A 56 11.439 7.810 13.605 1.00 1.32 H new ATOM 0 HE2 HIS A 56 13.055 9.585 14.451 1.00 3.25 H new ATOM 814 N GLY A 57 15.674 11.692 9.647 1.00 61.41 N ATOM 815 CA GLY A 57 16.598 12.624 10.268 1.00 74.22 C ATOM 816 C GLY A 57 17.892 12.762 9.491 1.00 32.15 C ATOM 817 O GLY A 57 18.513 13.825 9.488 1.00 74.24 O ATOM 0 H GLY A 57 15.142 12.073 8.864 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.122 13.601 10.352 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.820 12.290 11.281 1.00 74.22 H new ATOM 821 N LEU A 58 18.302 11.684 8.831 1.00 71.24 N ATOM 822 CA LEU A 58 19.532 11.688 8.047 1.00 13.14 C ATOM 823 C LEU A 58 19.432 12.666 6.881 1.00 72.13 C ATOM 824 O LEU A 58 20.441 13.181 6.400 1.00 54.40 O ATOM 825 CB LEU A 58 19.833 10.282 7.525 1.00 52.25 C ATOM 826 CG LEU A 58 20.607 9.365 8.472 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.710 8.885 9.604 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.189 8.182 7.713 1.00 33.14 C ATOM 0 H LEU A 58 17.800 10.796 8.823 1.00 71.24 H new ATOM 0 HA LEU A 58 20.346 12.009 8.697 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.888 9.799 7.276 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.399 10.374 6.598 1.00 52.25 H new ATOM 0 HG LEU A 58 21.430 9.934 8.904 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.279 8.234 10.268 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.342 9.744 10.166 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.866 8.334 9.190 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.736 7.540 8.403 1.00 33.14 H new ATOM 0 HD22 LEU A 58 20.382 7.613 7.252 1.00 33.14 H new ATOM 0 HD23 LEU A 58 21.866 8.544 6.939 1.00 33.14 H new ATOM 840 N THR A 59 18.207 12.918 6.431 1.00 63.43 N ATOM 841 CA THR A 59 17.973 13.834 5.322 1.00 22.11 C ATOM 842 C THR A 59 18.633 15.185 5.576 1.00 64.24 C ATOM 843 O THR A 59 18.549 15.731 6.676 1.00 72.41 O ATOM 844 CB THR A 59 16.467 14.049 5.079 1.00 73.42 C ATOM 845 OG1 THR A 59 15.902 14.813 6.150 1.00 35.32 O ATOM 846 CG2 THR A 59 15.742 12.718 4.959 1.00 74.22 C ATOM 0 H THR A 59 17.361 12.500 6.818 1.00 63.43 H new ATOM 0 HA THR A 59 18.415 13.377 4.436 1.00 22.11 H new ATOM 0 HB THR A 59 16.347 14.594 4.143 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.945 14.947 5.987 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.680 12.896 4.788 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.155 12.153 4.123 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.871 12.149 5.880 1.00 74.22 H new ATOM 854 N THR A 60 19.291 15.719 4.551 1.00 12.24 N ATOM 855 CA THR A 60 19.966 17.006 4.664 1.00 43.44 C ATOM 856 C THR A 60 20.038 17.708 3.313 1.00 34.10 C ATOM 857 O THR A 60 19.793 17.100 2.273 1.00 22.23 O ATOM 858 CB THR A 60 21.393 16.845 5.224 1.00 21.12 C ATOM 859 OG1 THR A 60 22.104 15.855 4.472 1.00 74.34 O ATOM 860 CG2 THR A 60 21.356 16.445 6.691 1.00 41.12 C ATOM 0 H THR A 60 19.371 15.280 3.634 1.00 12.24 H new ATOM 0 HA THR A 60 19.380 17.612 5.355 1.00 43.44 H new ATOM 0 HB THR A 60 21.905 17.804 5.138 1.00 21.12 H new ATOM 0 HG1 THR A 60 23.010 15.759 4.832 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.374 16.337 7.065 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.838 17.214 7.265 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.829 15.497 6.796 1.00 41.12 H new ATOM 868 N GLU A 61 20.377 18.994 3.338 1.00 14.50 N ATOM 869 CA GLU A 61 20.482 19.778 2.114 1.00 24.54 C ATOM 870 C GLU A 61 21.636 19.285 1.247 1.00 54.52 C ATOM 871 O GLU A 61 21.737 19.634 0.072 1.00 63.11 O ATOM 872 CB GLU A 61 20.677 21.260 2.446 1.00 35.23 C ATOM 873 CG GLU A 61 21.910 21.537 3.289 1.00 25.21 C ATOM 874 CD GLU A 61 22.117 23.016 3.549 1.00 70.35 C ATOM 875 OE1 GLU A 61 22.346 23.764 2.575 1.00 13.54 O1- ATOM 876 OE2 GLU A 61 22.051 23.426 4.728 1.00 33.30 O ATOM 0 H GLU A 61 20.583 19.513 4.191 1.00 14.50 H new ATOM 0 HA GLU A 61 19.554 19.656 1.556 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.748 21.826 1.517 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.796 21.624 2.975 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.820 21.013 4.241 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.788 21.134 2.785 1.00 25.21 H new ATOM 883 N GLU A 62 22.505 18.469 1.837 1.00 72.32 N ATOM 884 CA GLU A 62 23.653 17.928 1.119 1.00 31.42 C ATOM 885 C GLU A 62 23.209 16.909 0.074 1.00 1.45 C ATOM 886 O GLU A 62 24.004 16.474 -0.758 1.00 71.41 O ATOM 887 CB GLU A 62 24.634 17.278 2.098 1.00 1.21 C ATOM 888 CG GLU A 62 25.864 18.126 2.380 1.00 10.03 C ATOM 889 CD GLU A 62 26.603 18.519 1.115 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.577 17.736 0.143 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 27.208 19.612 1.099 1.00 75.13 O ATOM 0 H GLU A 62 22.435 18.169 2.809 1.00 72.32 H new ATOM 0 HA GLU A 62 24.152 18.752 0.609 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.118 17.078 3.037 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.951 16.315 1.697 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.565 19.026 2.916 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.539 17.574 3.034 1.00 10.03 H new ATOM 898 N GLU A 63 21.936 16.533 0.125 1.00 1.55 N ATOM 899 CA GLU A 63 21.387 15.563 -0.816 1.00 2.15 C ATOM 900 C GLU A 63 21.386 16.124 -2.236 1.00 33.05 C ATOM 901 O GLU A 63 21.342 15.375 -3.211 1.00 33.04 O ATOM 902 CB GLU A 63 19.965 15.172 -0.410 1.00 4.33 C ATOM 903 CG GLU A 63 18.934 16.252 -0.688 1.00 54.34 C ATOM 904 CD GLU A 63 18.333 16.141 -2.076 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.199 15.004 -2.574 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.998 17.191 -2.663 1.00 12.13 O1- ATOM 0 H GLU A 63 21.265 16.885 0.808 1.00 1.55 H new ATOM 0 HA GLU A 63 22.020 14.676 -0.794 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.681 14.264 -0.943 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.952 14.935 0.654 1.00 4.33 H new ATOM 0 HG2 GLU A 63 18.138 16.189 0.054 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.399 17.231 -0.575 1.00 54.34 H new ATOM 913 N PHE A 64 21.435 17.448 -2.343 1.00 14.24 N ATOM 914 CA PHE A 64 21.439 18.110 -3.641 1.00 42.31 C ATOM 915 C PHE A 64 22.825 18.057 -4.276 1.00 11.50 C ATOM 916 O PHE A 64 23.454 19.090 -4.508 1.00 32.43 O ATOM 917 CB PHE A 64 20.987 19.565 -3.497 1.00 12.40 C ATOM 918 CG PHE A 64 20.624 20.212 -4.803 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.717 19.613 -5.661 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.191 21.422 -5.172 1.00 43.22 C ATOM 921 CE1 PHE A 64 19.381 20.206 -6.863 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.858 22.020 -6.373 1.00 2.15 C ATOM 923 CZ PHE A 64 19.953 21.411 -7.220 1.00 13.33 C ATOM 0 H PHE A 64 21.472 18.083 -1.546 1.00 14.24 H new ATOM 0 HA PHE A 64 20.741 17.582 -4.291 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.127 19.605 -2.829 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.784 20.140 -3.025 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.267 18.670 -5.387 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.900 21.902 -4.514 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.672 19.728 -7.522 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.306 22.963 -6.649 1.00 2.15 H new ATOM 0 HZ PHE A 64 19.693 21.876 -8.159 1.00 13.33 H new ATOM 933 N VAL A 65 23.297 16.846 -4.553 1.00 14.35 N ATOM 934 CA VAL A 65 24.609 16.656 -5.160 1.00 53.13 C ATOM 935 C VAL A 65 24.553 15.622 -6.278 1.00 62.20 C ATOM 936 O VAL A 65 23.484 15.113 -6.613 1.00 61.02 O ATOM 937 CB VAL A 65 25.651 16.213 -4.118 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.915 17.328 -3.117 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.191 14.947 -3.409 1.00 75.10 C ATOM 0 H VAL A 65 22.790 15.981 -4.367 1.00 14.35 H new ATOM 0 HA VAL A 65 24.908 17.619 -5.574 1.00 53.13 H new ATOM 0 HB VAL A 65 26.585 15.994 -4.636 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.654 16.995 -2.388 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.292 18.206 -3.641 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.988 17.582 -2.603 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.940 14.648 -2.676 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.244 15.137 -2.904 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.059 14.148 -4.139 1.00 75.10 H new ATOM 949 N GLU A 66 25.712 15.315 -6.853 1.00 2.51 N ATOM 950 CA GLU A 66 25.794 14.341 -7.934 1.00 74.43 C ATOM 951 C GLU A 66 25.017 13.075 -7.586 1.00 23.21 C ATOM 952 O GLU A 66 24.271 12.545 -8.408 1.00 2.04 O ATOM 953 CB GLU A 66 27.255 13.992 -8.227 1.00 20.43 C ATOM 954 CG GLU A 66 28.115 15.200 -8.556 1.00 34.14 C ATOM 955 CD GLU A 66 29.298 14.851 -9.438 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.115 14.778 -10.672 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.404 14.653 -8.897 1.00 71.33 O ATOM 0 H GLU A 66 26.607 15.727 -6.588 1.00 2.51 H new ATOM 0 HA GLU A 66 25.349 14.786 -8.824 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.678 13.480 -7.363 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.292 13.292 -9.062 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.503 15.952 -9.055 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.476 15.647 -7.630 1.00 34.14 H new ATOM 964 N GLY A 67 25.199 12.595 -6.360 1.00 71.33 N ATOM 965 CA GLY A 67 24.509 11.394 -5.923 1.00 61.34 C ATOM 966 C GLY A 67 25.431 10.422 -5.215 1.00 70.12 C ATOM 967 O GLY A 67 25.001 9.351 -4.783 1.00 52.23 O ATOM 0 H GLY A 67 25.812 13.016 -5.661 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.694 11.670 -5.254 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.060 10.902 -6.786 1.00 61.34 H new ATOM 971 N ILE A 68 26.702 10.792 -5.097 1.00 31.34 N ATOM 972 CA ILE A 68 27.686 9.944 -4.437 1.00 24.21 C ATOM 973 C ILE A 68 27.435 9.877 -2.934 1.00 41.21 C ATOM 974 O ILE A 68 27.672 10.844 -2.211 1.00 52.24 O ATOM 975 CB ILE A 68 29.120 10.448 -4.684 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.338 10.721 -6.174 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.133 9.435 -4.172 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.669 11.372 -6.480 1.00 24.51 C ATOM 0 H ILE A 68 27.074 11.674 -5.450 1.00 31.34 H new ATOM 0 HA ILE A 68 27.581 8.947 -4.865 1.00 24.21 H new ATOM 0 HB ILE A 68 29.261 11.381 -4.138 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.268 9.781 -6.721 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.536 11.363 -6.539 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.142 9.806 -4.354 1.00 43.11 H new ATOM 0 HG22 ILE A 68 29.989 9.285 -3.102 1.00 43.11 H new ATOM 0 HG23 ILE A 68 29.995 8.487 -4.693 1.00 43.11 H new ATOM 0 HD11 ILE A 68 30.755 11.536 -7.554 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.734 12.328 -5.960 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.477 10.722 -6.146 1.00 24.51 H new ATOM 990 N TYR A 69 26.956 8.727 -2.470 1.00 43.21 N ATOM 991 CA TYR A 69 26.672 8.534 -1.053 1.00 1.03 C ATOM 992 C TYR A 69 27.156 7.165 -0.583 1.00 42.24 C ATOM 993 O TYR A 69 26.777 6.135 -1.139 1.00 25.42 O ATOM 994 CB TYR A 69 25.172 8.676 -0.788 1.00 41.35 C ATOM 995 CG TYR A 69 24.558 9.901 -1.428 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.024 11.175 -1.125 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.512 9.785 -2.334 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.465 12.297 -1.706 1.00 61.22 C ATOM 999 CE2 TYR A 69 22.947 10.900 -2.921 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.427 12.154 -2.604 1.00 22.23 C ATOM 1001 OH TYR A 69 22.869 13.269 -3.185 1.00 34.52 O ATOM 0 H TYR A 69 26.757 7.915 -3.055 1.00 43.21 H new ATOM 0 HA TYR A 69 27.207 9.301 -0.493 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.660 7.788 -1.158 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.004 8.715 0.288 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.837 11.290 -0.423 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.133 8.805 -2.584 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.838 13.280 -1.459 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.134 10.791 -3.624 1.00 73.53 H new ATOM 0 HH TYR A 69 22.164 13.622 -2.604 1.00 34.52 H new ATOM 1011 N LYS A 70 27.995 7.165 0.447 1.00 53.02 N ATOM 1012 CA LYS A 70 28.531 5.925 0.996 1.00 22.35 C ATOM 1013 C LYS A 70 28.029 5.698 2.418 1.00 44.40 C ATOM 1014 O LYS A 70 28.490 6.342 3.361 1.00 32.24 O ATOM 1015 CB LYS A 70 30.061 5.956 0.984 1.00 11.12 C ATOM 1016 CG LYS A 70 30.642 7.342 1.198 1.00 64.32 C ATOM 1017 CD LYS A 70 30.811 8.086 -0.117 1.00 64.11 C ATOM 1018 CE LYS A 70 32.019 9.009 -0.083 1.00 50.51 C ATOM 1019 NZ LYS A 70 32.078 9.802 1.176 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.319 8.010 0.918 1.00 53.02 H new ATOM 0 HA LYS A 70 28.185 5.102 0.371 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.436 5.290 1.761 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.417 5.565 0.031 1.00 11.12 H new ATOM 0 HG2 LYS A 70 29.989 7.913 1.859 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.608 7.260 1.697 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.922 7.369 -0.930 1.00 64.11 H new ATOM 0 HD3 LYS A 70 29.913 8.668 -0.325 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.930 8.418 -0.183 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.983 9.686 -0.937 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 32.399 10.768 0.963 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 31.133 9.838 1.608 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 32.744 9.354 1.837 1.00 34.32 H new ATOM 1033 N VAL A 71 27.081 4.777 2.567 1.00 65.12 N ATOM 1034 CA VAL A 71 26.518 4.464 3.875 1.00 43.30 C ATOM 1035 C VAL A 71 27.215 3.260 4.499 1.00 4.12 C ATOM 1036 O VAL A 71 27.519 2.283 3.816 1.00 32.12 O ATOM 1037 CB VAL A 71 25.008 4.177 3.782 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.455 3.779 5.142 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.269 5.386 3.230 1.00 13.51 C ATOM 0 H VAL A 71 26.687 4.235 1.798 1.00 65.12 H new ATOM 0 HA VAL A 71 26.676 5.339 4.505 1.00 43.30 H new ATOM 0 HB VAL A 71 24.856 3.343 3.097 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.387 3.580 5.056 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.964 2.882 5.493 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.617 4.590 5.852 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.203 5.165 3.171 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.427 6.241 3.888 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.647 5.620 2.235 1.00 13.51 H new ATOM 1049 N GLU A 72 27.466 3.338 5.803 1.00 21.11 N ATOM 1050 CA GLU A 72 28.128 2.255 6.518 1.00 23.21 C ATOM 1051 C GLU A 72 27.282 1.785 7.698 1.00 64.10 C ATOM 1052 O GLU A 72 26.669 2.592 8.396 1.00 4.11 O ATOM 1053 CB GLU A 72 29.505 2.705 7.012 1.00 23.23 C ATOM 1054 CG GLU A 72 29.894 2.113 8.356 1.00 11.22 C ATOM 1055 CD GLU A 72 31.388 2.170 8.608 1.00 2.12 C ATOM 1056 OE1 GLU A 72 32.137 1.474 7.891 1.00 15.25 O1- ATOM 1057 OE2 GLU A 72 31.809 2.911 9.521 1.00 13.44 O ATOM 0 H GLU A 72 27.221 4.140 6.384 1.00 21.11 H new ATOM 0 HA GLU A 72 28.253 1.422 5.827 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.255 2.428 6.272 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.517 3.792 7.086 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.375 2.650 9.149 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.561 1.076 8.402 1.00 11.22 H new ATOM 1064 N ILE A 73 27.255 0.473 7.914 1.00 64.22 N ATOM 1065 CA ILE A 73 26.484 -0.104 9.009 1.00 54.32 C ATOM 1066 C ILE A 73 27.392 -0.824 9.999 1.00 14.42 C ATOM 1067 O ILE A 73 28.282 -1.579 9.607 1.00 11.03 O ATOM 1068 CB ILE A 73 25.422 -1.092 8.490 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.464 -0.386 7.528 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.658 -1.706 9.653 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.691 -0.747 6.077 1.00 1.34 C ATOM 0 H ILE A 73 27.757 -0.209 7.346 1.00 64.22 H new ATOM 0 HA ILE A 73 25.983 0.722 9.513 1.00 54.32 H new ATOM 0 HB ILE A 73 25.925 -1.893 7.948 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.439 -0.636 7.800 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.571 0.692 7.647 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.911 -2.402 9.271 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.352 -2.239 10.303 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.163 -0.918 10.220 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.977 -0.210 5.452 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.705 -0.471 5.788 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.555 -1.820 5.943 1.00 1.34 H new ATOM 1083 N ASP A 74 27.160 -0.586 11.285 1.00 44.44 N ATOM 1084 CA ASP A 74 27.955 -1.215 12.335 1.00 10.11 C ATOM 1085 C ASP A 74 27.172 -2.334 13.013 1.00 13.42 C ATOM 1086 O ASP A 74 26.257 -2.080 13.798 1.00 64.24 O ATOM 1087 CB ASP A 74 28.385 -0.175 13.370 1.00 20.22 C ATOM 1088 CG ASP A 74 29.891 -0.011 13.436 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.593 -1.034 13.566 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 30.366 1.142 13.359 1.00 11.04 O ATOM 0 H ASP A 74 26.428 0.038 11.626 1.00 44.44 H new ATOM 0 HA ASP A 74 28.844 -1.647 11.875 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.928 0.785 13.128 1.00 20.22 H new ATOM 0 HB3 ASP A 74 28.011 -0.467 14.351 1.00 20.22 H new ATOM 1095 N THR A 75 27.536 -3.575 12.706 1.00 2.21 N ATOM 1096 CA THR A 75 26.866 -4.733 13.284 1.00 43.11 C ATOM 1097 C THR A 75 27.558 -5.186 14.565 1.00 52.03 C ATOM 1098 O THR A 75 27.374 -6.317 15.016 1.00 42.55 O ATOM 1099 CB THR A 75 26.825 -5.911 12.292 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.135 -6.159 11.771 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.864 -5.622 11.148 1.00 71.34 C ATOM 0 H THR A 75 28.291 -3.804 12.060 1.00 2.21 H new ATOM 0 HA THR A 75 25.846 -4.426 13.514 1.00 43.11 H new ATOM 0 HB THR A 75 26.474 -6.794 12.825 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.100 -6.910 11.143 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.852 -6.468 10.461 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.862 -5.464 11.546 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.189 -4.727 10.617 1.00 71.34 H new ATOM 1109 N LYS A 76 28.355 -4.297 15.147 1.00 11.51 N ATOM 1110 CA LYS A 76 29.074 -4.604 16.377 1.00 2.32 C ATOM 1111 C LYS A 76 28.187 -4.378 17.597 1.00 63.31 C ATOM 1112 O LYS A 76 28.257 -5.123 18.574 1.00 10.13 O ATOM 1113 CB LYS A 76 30.334 -3.741 16.485 1.00 70.33 C ATOM 1114 CG LYS A 76 30.046 -2.267 16.701 1.00 30.31 C ATOM 1115 CD LYS A 76 29.956 -1.926 18.179 1.00 0.13 C ATOM 1116 CE LYS A 76 31.251 -1.313 18.689 1.00 10.32 C ATOM 1117 NZ LYS A 76 30.998 -0.186 19.629 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.519 -3.357 14.786 1.00 11.51 H new ATOM 0 HA LYS A 76 29.361 -5.655 16.347 1.00 2.32 H new ATOM 0 HB2 LYS A 76 30.945 -4.108 17.310 1.00 70.33 H new ATOM 0 HB3 LYS A 76 30.923 -3.858 15.575 1.00 70.33 H new ATOM 0 HG2 LYS A 76 30.831 -1.670 16.236 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.110 -2.002 16.208 1.00 30.31 H new ATOM 0 HD2 LYS A 76 29.133 -1.230 18.344 1.00 0.13 H new ATOM 0 HD3 LYS A 76 29.730 -2.827 18.748 1.00 0.13 H new ATOM 0 HE2 LYS A 76 31.842 -2.079 19.191 1.00 10.32 H new ATOM 0 HE3 LYS A 76 31.841 -0.956 17.845 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 31.905 0.205 19.954 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 30.455 0.556 19.143 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 30.457 -0.531 20.447 1.00 64.52 H new ATOM 1131 N SER A 77 27.349 -3.348 17.532 1.00 12.32 N ATOM 1132 CA SER A 77 26.449 -3.024 18.632 1.00 40.54 C ATOM 1133 C SER A 77 25.118 -3.753 18.478 1.00 72.24 C ATOM 1134 O SER A 77 24.313 -3.803 19.409 1.00 3.31 O ATOM 1135 CB SER A 77 26.212 -1.513 18.696 1.00 24.54 C ATOM 1136 OG SER A 77 26.077 -0.962 17.398 1.00 62.42 O ATOM 0 H SER A 77 27.275 -2.724 16.729 1.00 12.32 H new ATOM 0 HA SER A 77 26.917 -3.351 19.560 1.00 40.54 H new ATOM 0 HB2 SER A 77 25.313 -1.307 19.277 1.00 24.54 H new ATOM 0 HB3 SER A 77 27.043 -1.033 19.213 1.00 24.54 H new ATOM 0 HG SER A 77 25.925 0.004 17.467 1.00 62.42 H new ATOM 1142 N TYR A 78 24.894 -4.318 17.297 1.00 33.14 N ATOM 1143 CA TYR A 78 23.659 -5.043 17.018 1.00 43.04 C ATOM 1144 C TYR A 78 23.657 -6.400 17.715 1.00 22.45 C ATOM 1145 O TYR A 78 22.668 -6.786 18.340 1.00 1.02 O ATOM 1146 CB TYR A 78 23.484 -5.232 15.510 1.00 4.32 C ATOM 1147 CG TYR A 78 22.214 -5.961 15.136 1.00 61.13 C ATOM 1148 CD1 TYR A 78 20.967 -5.406 15.396 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.260 -7.206 14.520 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.804 -6.070 15.057 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.103 -7.877 14.176 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.877 -7.305 14.447 1.00 70.05 C ATOM 1153 OH TYR A 78 18.722 -7.969 14.105 1.00 34.34 O ATOM 0 H TYR A 78 25.551 -4.288 16.517 1.00 33.14 H new ATOM 0 HA TYR A 78 22.826 -4.455 17.403 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.488 -4.255 15.027 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.339 -5.784 15.120 1.00 4.32 H new ATOM 0 HD1 TYR A 78 20.906 -4.438 15.872 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.218 -7.657 14.306 1.00 52.42 H new ATOM 0 HE1 TYR A 78 18.843 -5.625 15.268 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.158 -8.844 13.698 1.00 61.52 H new ATOM 0 HH TYR A 78 18.909 -8.927 14.018 1.00 34.34 H new ATOM 1163 N TRP A 79 24.769 -7.117 17.605 1.00 42.11 N ATOM 1164 CA TRP A 79 24.895 -8.432 18.225 1.00 34.33 C ATOM 1165 C TRP A 79 24.966 -8.312 19.743 1.00 45.25 C ATOM 1166 O TRP A 79 24.515 -9.200 20.467 1.00 50.44 O ATOM 1167 CB TRP A 79 26.139 -9.148 17.698 1.00 11.24 C ATOM 1168 CG TRP A 79 27.227 -9.280 18.722 1.00 33.12 C ATOM 1169 CD1 TRP A 79 27.201 -10.047 19.851 1.00 13.21 C ATOM 1170 CD2 TRP A 79 28.500 -8.625 18.708 1.00 23.44 C ATOM 1171 NE1 TRP A 79 28.380 -9.908 20.541 1.00 13.32 N ATOM 1172 CE2 TRP A 79 29.194 -9.041 19.861 1.00 40.35 C ATOM 1173 CE3 TRP A 79 29.120 -7.729 17.835 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 30.477 -8.590 20.160 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 30.394 -7.282 18.133 1.00 22.15 C ATOM 1176 CH2 TRP A 79 31.061 -7.713 19.286 1.00 55.42 C ATOM 0 H TRP A 79 25.596 -6.811 17.093 1.00 42.11 H new ATOM 0 HA TRP A 79 24.012 -9.016 17.967 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.857 -10.141 17.348 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.525 -8.604 16.836 1.00 11.24 H new ATOM 0 HD1 TRP A 79 26.374 -10.671 20.157 1.00 13.21 H new ATOM 0 HE1 TRP A 79 28.612 -10.375 21.418 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.614 -7.391 16.943 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 30.993 -8.920 21.050 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 30.883 -6.588 17.465 1.00 22.15 H new ATOM 0 HH2 TRP A 79 32.056 -7.346 19.490 1.00 55.42 H new ATOM 1187 N LYS A 80 25.535 -7.210 20.220 1.00 50.41 N ATOM 1188 CA LYS A 80 25.664 -6.973 21.653 1.00 54.32 C ATOM 1189 C LYS A 80 24.365 -6.426 22.233 1.00 54.00 C ATOM 1190 O LYS A 80 24.161 -6.440 23.447 1.00 50.04 O ATOM 1191 CB LYS A 80 26.810 -5.997 21.928 1.00 61.21 C ATOM 1192 CG LYS A 80 26.399 -4.537 21.840 1.00 73.40 C ATOM 1193 CD LYS A 80 26.090 -3.961 23.212 1.00 71.12 C ATOM 1194 CE LYS A 80 27.349 -3.469 23.907 1.00 24.41 C ATOM 1195 NZ LYS A 80 27.061 -2.934 25.266 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.915 -6.466 19.634 1.00 50.41 H new ATOM 0 HA LYS A 80 25.883 -7.926 22.135 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.213 -6.193 22.922 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.614 -6.183 21.216 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.198 -3.961 21.374 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.522 -4.443 21.199 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.384 -3.137 23.111 1.00 71.12 H new ATOM 0 HD3 LYS A 80 25.608 -4.721 23.826 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.065 -4.288 23.983 1.00 24.41 H new ATOM 0 HE3 LYS A 80 27.817 -2.692 23.303 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 27.946 -2.609 25.706 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 26.398 -2.136 25.192 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 26.638 -3.682 25.851 1.00 51.34 H new ATOM 1209 N ALA A 81 23.487 -5.945 21.358 1.00 25.51 N ATOM 1210 CA ALA A 81 22.206 -5.396 21.784 1.00 23.43 C ATOM 1211 C ALA A 81 21.150 -6.490 21.895 1.00 74.11 C ATOM 1212 O ALA A 81 20.401 -6.548 22.871 1.00 11.21 O ATOM 1213 CB ALA A 81 21.748 -4.314 20.818 1.00 4.11 C ATOM 0 H ALA A 81 23.640 -5.925 20.350 1.00 25.51 H new ATOM 0 HA ALA A 81 22.339 -4.954 22.771 1.00 23.43 H new ATOM 0 HB1 ALA A 81 20.790 -3.913 21.149 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.487 -3.513 20.792 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.638 -4.739 19.820 1.00 4.11 H new ATOM 1219 N LEU A 82 21.094 -7.356 20.889 1.00 72.45 N ATOM 1220 CA LEU A 82 20.127 -8.449 20.872 1.00 71.44 C ATOM 1221 C LEU A 82 20.804 -9.778 21.194 1.00 25.04 C ATOM 1222 O LEU A 82 20.199 -10.842 21.062 1.00 54.03 O ATOM 1223 CB LEU A 82 19.443 -8.530 19.507 1.00 34.13 C ATOM 1224 CG LEU A 82 18.809 -7.235 18.996 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.166 -6.468 20.141 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.848 -6.375 18.292 1.00 33.50 C ATOM 0 H LEU A 82 21.707 -7.323 20.074 1.00 72.45 H new ATOM 0 HA LEU A 82 19.376 -8.249 21.636 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.177 -8.865 18.774 1.00 34.13 H new ATOM 0 HB3 LEU A 82 18.669 -9.296 19.556 1.00 34.13 H new ATOM 0 HG LEU A 82 18.032 -7.492 18.277 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.720 -5.550 19.759 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.393 -7.083 20.602 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.924 -6.221 20.885 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.380 -5.458 17.935 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.648 -6.126 18.990 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.262 -6.924 17.446 1.00 33.50 H new ATOM 1238 N GLY A 83 22.061 -9.708 21.620 1.00 74.52 N ATOM 1239 CA GLY A 83 22.799 -10.912 21.956 1.00 61.44 C ATOM 1240 C GLY A 83 22.842 -11.905 20.811 1.00 64.05 C ATOM 1241 O GLY A 83 22.605 -13.097 21.004 1.00 12.21 O ATOM 0 H GLY A 83 22.582 -8.839 21.739 1.00 74.52 H new ATOM 0 HA2 GLY A 83 23.817 -10.643 22.238 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.341 -11.384 22.825 1.00 61.44 H new ATOM 1245 N ILE A 84 23.144 -11.412 19.615 1.00 55.22 N ATOM 1246 CA ILE A 84 23.217 -12.264 18.434 1.00 13.14 C ATOM 1247 C ILE A 84 24.624 -12.819 18.243 1.00 55.44 C ATOM 1248 O ILE A 84 25.595 -12.271 18.765 1.00 14.52 O ATOM 1249 CB ILE A 84 22.801 -11.500 17.163 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.531 -10.689 17.421 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.593 -12.469 16.008 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.349 -11.534 17.839 1.00 63.44 C ATOM 0 H ILE A 84 23.342 -10.427 19.438 1.00 55.22 H new ATOM 0 HA ILE A 84 22.523 -13.089 18.596 1.00 13.14 H new ATOM 0 HB ILE A 84 23.600 -10.810 16.894 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.732 -9.951 18.198 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.272 -10.138 16.517 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.299 -11.915 15.117 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.521 -13.006 15.812 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.809 -13.181 16.267 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.484 -10.892 18.005 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.121 -12.255 17.054 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.589 -12.065 18.760 1.00 63.44 H new ATOM 1264 N SER A 85 24.727 -13.909 17.489 1.00 21.13 N ATOM 1265 CA SER A 85 26.016 -14.540 17.231 1.00 50.52 C ATOM 1266 C SER A 85 27.054 -13.505 16.813 1.00 44.03 C ATOM 1267 O SER A 85 26.726 -12.402 16.373 1.00 31.33 O ATOM 1268 CB SER A 85 25.876 -15.607 16.143 1.00 54.22 C ATOM 1269 OG SER A 85 26.923 -15.508 15.194 1.00 53.22 O ATOM 0 H SER A 85 23.934 -14.373 17.046 1.00 21.13 H new ATOM 0 HA SER A 85 26.352 -15.013 18.154 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.885 -16.598 16.598 1.00 54.22 H new ATOM 0 HB3 SER A 85 24.915 -15.496 15.641 1.00 54.22 H new ATOM 0 HG SER A 85 26.812 -16.201 14.510 1.00 53.22 H new ATOM 1365 N GLU A 92 29.557 -1.418 3.481 1.00 73.32 N ATOM 1366 CA GLU A 92 29.017 -0.108 3.141 1.00 2.25 C ATOM 1367 C GLU A 92 28.549 -0.073 1.689 1.00 25.30 C ATOM 1368 O GLU A 92 29.095 -0.768 0.832 1.00 13.50 O ATOM 1369 CB GLU A 92 30.069 0.978 3.376 1.00 43.31 C ATOM 1370 CG GLU A 92 31.454 0.602 2.880 1.00 22.11 C ATOM 1371 CD GLU A 92 32.498 1.650 3.213 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.169 2.599 3.955 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.643 1.523 2.732 1.00 32.20 O1- ATOM 0 HA GLU A 92 28.159 0.082 3.786 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.751 1.894 2.878 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.121 1.196 4.443 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.747 -0.351 3.321 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.422 0.457 1.800 1.00 22.11 H new ATOM 1380 N VAL A 93 27.532 0.742 1.421 1.00 70.21 N ATOM 1381 CA VAL A 93 26.990 0.868 0.073 1.00 61.32 C ATOM 1382 C VAL A 93 27.435 2.174 -0.577 1.00 43.24 C ATOM 1383 O VAL A 93 26.991 3.255 -0.189 1.00 3.54 O ATOM 1384 CB VAL A 93 25.452 0.809 0.080 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.911 0.797 -1.342 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.969 -0.409 0.853 1.00 41.15 C ATOM 0 H VAL A 93 27.068 1.324 2.119 1.00 70.21 H new ATOM 0 HA VAL A 93 27.376 0.028 -0.504 1.00 61.32 H new ATOM 0 HB VAL A 93 25.074 1.701 0.579 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.822 0.755 -1.317 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.227 1.703 -1.859 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.295 -0.076 -1.870 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.879 -0.435 0.848 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.356 -1.314 0.385 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.326 -0.352 1.881 1.00 41.15 H new ATOM 1396 N VAL A 94 28.313 2.065 -1.569 1.00 55.22 N ATOM 1397 CA VAL A 94 28.817 3.238 -2.275 1.00 54.44 C ATOM 1398 C VAL A 94 28.398 3.218 -3.740 1.00 72.33 C ATOM 1399 O VAL A 94 28.622 2.237 -4.449 1.00 31.22 O ATOM 1400 CB VAL A 94 30.352 3.325 -2.192 1.00 12.35 C ATOM 1401 CG1 VAL A 94 30.843 4.649 -2.758 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.820 3.142 -0.757 1.00 32.44 C ATOM 0 H VAL A 94 28.690 1.178 -1.902 1.00 55.22 H new ATOM 0 HA VAL A 94 28.384 4.112 -1.788 1.00 54.44 H new ATOM 0 HB VAL A 94 30.777 2.521 -2.793 1.00 12.35 H new ATOM 0 HG11 VAL A 94 31.930 4.693 -2.691 1.00 44.32 H new ATOM 0 HG12 VAL A 94 30.540 4.733 -3.802 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.411 5.471 -2.187 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.907 3.207 -0.718 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.387 3.922 -0.131 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.501 2.166 -0.392 1.00 32.44 H new ATOM 1412 N PHE A 95 27.787 4.310 -4.189 1.00 74.21 N ATOM 1413 CA PHE A 95 27.335 4.418 -5.572 1.00 3.42 C ATOM 1414 C PHE A 95 27.602 5.817 -6.123 1.00 14.12 C ATOM 1415 O PHE A 95 27.092 6.809 -5.602 1.00 41.52 O ATOM 1416 CB PHE A 95 25.842 4.096 -5.669 1.00 1.11 C ATOM 1417 CG PHE A 95 25.548 2.623 -5.699 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.913 1.852 -6.791 1.00 70.40 C ATOM 1419 CD2 PHE A 95 24.906 2.010 -4.635 1.00 44.02 C ATOM 1420 CE1 PHE A 95 25.644 0.496 -6.821 1.00 25.12 C ATOM 1421 CE2 PHE A 95 24.635 0.655 -4.659 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.003 -0.102 -5.754 1.00 43.33 C ATOM 0 H PHE A 95 27.594 5.132 -3.616 1.00 74.21 H new ATOM 0 HA PHE A 95 27.895 3.698 -6.169 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.326 4.544 -4.820 1.00 1.11 H new ATOM 0 HB3 PHE A 95 25.436 4.558 -6.569 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.413 2.316 -7.628 1.00 70.40 H new ATOM 0 HD2 PHE A 95 24.614 2.598 -3.777 1.00 44.02 H new ATOM 0 HE1 PHE A 95 25.935 -0.094 -7.677 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.136 0.189 -3.822 1.00 24.42 H new ATOM 0 HZ PHE A 95 24.790 -1.160 -5.776 1.00 43.33 H new ATOM 1432 N THR A 96 28.404 5.887 -7.180 1.00 44.40 N ATOM 1433 CA THR A 96 28.741 7.161 -7.801 1.00 34.31 C ATOM 1434 C THR A 96 27.774 7.495 -8.931 1.00 25.23 C ATOM 1435 O THR A 96 27.331 6.609 -9.662 1.00 11.30 O ATOM 1436 CB THR A 96 30.178 7.154 -8.356 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.446 8.383 -9.039 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.385 5.984 -9.306 1.00 41.12 C ATOM 0 H THR A 96 28.833 5.075 -7.624 1.00 44.40 H new ATOM 0 HA THR A 96 28.664 7.921 -7.023 1.00 34.31 H new ATOM 0 HB THR A 96 30.867 7.048 -7.518 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.362 8.371 -9.387 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.407 6.000 -9.685 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.209 5.049 -8.775 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.687 6.064 -10.140 1.00 41.12 H new ATOM 1446 N ALA A 97 27.451 8.776 -9.069 1.00 2.00 N ATOM 1447 CA ALA A 97 26.538 9.226 -10.113 1.00 54.14 C ATOM 1448 C ALA A 97 27.256 9.353 -11.452 1.00 75.12 C ATOM 1449 O ALA A 97 28.474 9.520 -11.502 1.00 3.52 O ATOM 1450 CB ALA A 97 25.905 10.554 -9.724 1.00 3.33 C ATOM 0 H ALA A 97 27.808 9.521 -8.471 1.00 2.00 H new ATOM 0 HA ALA A 97 25.752 8.479 -10.221 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.226 10.878 -10.512 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.350 10.434 -8.794 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.685 11.303 -9.587 1.00 3.33 H new ATOM 1562 N TYR A 105 18.580 4.786 -4.361 1.00 3.31 N ATOM 1563 CA TYR A 105 18.629 5.757 -3.273 1.00 51.11 C ATOM 1564 C TYR A 105 18.560 5.060 -1.918 1.00 4.42 C ATOM 1565 O TYR A 105 19.105 5.547 -0.927 1.00 2.22 O ATOM 1566 CB TYR A 105 17.481 6.759 -3.403 1.00 3.13 C ATOM 1567 CG TYR A 105 16.142 6.113 -3.680 1.00 74.50 C ATOM 1568 CD1 TYR A 105 15.714 5.883 -4.982 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.304 5.730 -2.639 1.00 12.00 C ATOM 1570 CE1 TYR A 105 14.492 5.295 -5.240 1.00 51.10 C ATOM 1571 CE2 TYR A 105 14.080 5.139 -2.887 1.00 50.15 C ATOM 1572 CZ TYR A 105 13.679 4.924 -4.189 1.00 33.34 C ATOM 1573 OH TYR A 105 12.461 4.336 -4.441 1.00 22.10 O ATOM 0 HA TYR A 105 19.577 6.291 -3.339 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.411 7.340 -2.484 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.710 7.459 -4.206 1.00 3.13 H new ATOM 0 HD1 TYR A 105 16.349 6.170 -5.807 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.615 5.897 -1.618 1.00 12.00 H new ATOM 0 HE1 TYR A 105 14.174 5.126 -6.258 1.00 51.10 H new ATOM 0 HE2 TYR A 105 13.441 4.847 -2.066 1.00 50.15 H new ATOM 0 HH TYR A 105 12.013 4.135 -3.593 1.00 22.10 H new ATOM 1583 N THR A 106 17.885 3.914 -1.882 1.00 40.24 N ATOM 1584 CA THR A 106 17.743 3.149 -0.650 1.00 32.41 C ATOM 1585 C THR A 106 18.914 2.192 -0.460 1.00 71.02 C ATOM 1586 O THR A 106 19.277 1.450 -1.374 1.00 75.23 O ATOM 1587 CB THR A 106 16.429 2.345 -0.636 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.315 3.224 -0.823 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.272 1.588 0.674 1.00 12.31 C ATOM 0 H THR A 106 17.428 3.496 -2.693 1.00 40.24 H new ATOM 0 HA THR A 106 17.728 3.868 0.169 1.00 32.41 H new ATOM 0 HB THR A 106 16.461 1.623 -1.452 1.00 75.32 H new ATOM 0 HG1 THR A 106 15.442 3.744 -1.644 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.337 1.028 0.661 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.107 0.898 0.798 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.259 2.295 1.504 1.00 12.31 H new ATOM 1597 N ILE A 107 19.501 2.212 0.732 1.00 54.05 N ATOM 1598 CA ILE A 107 20.629 1.343 1.042 1.00 74.20 C ATOM 1599 C ILE A 107 20.155 -0.016 1.545 1.00 63.32 C ATOM 1600 O ILE A 107 19.595 -0.126 2.635 1.00 31.52 O ATOM 1601 CB ILE A 107 21.552 1.976 2.100 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.178 3.264 1.559 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.634 0.991 2.518 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.449 4.517 1.990 1.00 32.11 C ATOM 0 H ILE A 107 19.214 2.821 1.499 1.00 54.05 H new ATOM 0 HA ILE A 107 21.188 1.209 0.116 1.00 74.20 H new ATOM 0 HB ILE A 107 20.955 2.225 2.978 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.214 3.323 1.893 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.196 3.220 0.470 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.278 1.454 3.266 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.171 0.099 2.940 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.230 0.714 1.648 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.948 5.391 1.570 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.420 4.480 1.633 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.454 4.585 3.078 1.00 32.11 H new ATOM 1616 N ALA A 108 20.386 -1.050 0.743 1.00 21.23 N ATOM 1617 CA ALA A 108 19.987 -2.404 1.109 1.00 2.35 C ATOM 1618 C ALA A 108 21.116 -3.136 1.824 1.00 63.45 C ATOM 1619 O ALA A 108 22.141 -3.456 1.223 1.00 51.45 O ATOM 1620 CB ALA A 108 19.554 -3.178 -0.128 1.00 32.14 C ATOM 0 H ALA A 108 20.847 -0.976 -0.164 1.00 21.23 H new ATOM 0 HA ALA A 108 19.143 -2.334 1.796 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.259 -4.187 0.159 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.710 -2.672 -0.597 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.383 -3.230 -0.834 1.00 32.14 H new ATOM 1626 N ALA A 109 20.922 -3.397 3.113 1.00 63.22 N ATOM 1627 CA ALA A 109 21.925 -4.092 3.910 1.00 54.44 C ATOM 1628 C ALA A 109 21.320 -5.295 4.626 1.00 42.04 C ATOM 1629 O ALA A 109 20.422 -5.149 5.455 1.00 35.23 O ATOM 1630 CB ALA A 109 22.553 -3.139 4.917 1.00 2.42 C ATOM 0 H ALA A 109 20.080 -3.138 3.627 1.00 63.22 H new ATOM 0 HA ALA A 109 22.701 -4.455 3.236 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.300 -3.672 5.505 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.029 -2.313 4.388 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.780 -2.749 5.580 1.00 2.42 H new ATOM 1636 N MET A 110 21.817 -6.484 4.298 1.00 0.21 N ATOM 1637 CA MET A 110 21.324 -7.712 4.910 1.00 34.20 C ATOM 1638 C MET A 110 22.373 -8.316 5.838 1.00 44.24 C ATOM 1639 O MET A 110 23.502 -8.584 5.426 1.00 31.10 O ATOM 1640 CB MET A 110 20.938 -8.726 3.831 1.00 34.11 C ATOM 1641 CG MET A 110 19.602 -8.430 3.169 1.00 44.03 C ATOM 1642 SD MET A 110 18.986 -9.818 2.197 1.00 11.42 S ATOM 1643 CE MET A 110 18.149 -10.772 3.461 1.00 12.22 C ATOM 0 H MET A 110 22.560 -6.622 3.613 1.00 0.21 H new ATOM 0 HA MET A 110 20.441 -7.465 5.499 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.716 -8.746 3.068 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.902 -9.721 4.275 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.870 -8.175 3.935 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.706 -7.557 2.524 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.488 -11.807 3.419 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.376 -10.355 4.442 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.073 -10.735 3.292 1.00 12.22 H new ATOM 1653 N LEU A 111 21.994 -8.526 7.095 1.00 51.13 N ATOM 1654 CA LEU A 111 22.902 -9.097 8.082 1.00 21.14 C ATOM 1655 C LEU A 111 22.937 -10.618 7.976 1.00 54.03 C ATOM 1656 O LEU A 111 22.060 -11.307 8.499 1.00 63.05 O ATOM 1657 CB LEU A 111 22.480 -8.683 9.493 1.00 12.44 C ATOM 1658 CG LEU A 111 22.404 -7.178 9.756 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.566 -6.460 9.089 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.076 -6.619 9.267 1.00 62.42 C ATOM 0 H LEU A 111 21.064 -8.309 7.453 1.00 51.13 H new ATOM 0 HA LEU A 111 23.903 -8.714 7.881 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.502 -9.118 9.701 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.181 -9.121 10.204 1.00 12.44 H new ATOM 0 HG LEU A 111 22.472 -7.012 10.831 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.495 -5.391 9.287 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.506 -6.841 9.487 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.531 -6.633 8.013 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.039 -5.547 9.462 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.979 -6.797 8.196 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.258 -7.112 9.792 1.00 62.42 H new ATOM 1672 N SER A 112 23.955 -11.136 7.297 1.00 54.12 N ATOM 1673 CA SER A 112 24.102 -12.576 7.120 1.00 12.24 C ATOM 1674 C SER A 112 24.753 -13.211 8.345 1.00 22.43 C ATOM 1675 O SER A 112 25.400 -12.543 9.152 1.00 1.40 O ATOM 1676 CB SER A 112 24.938 -12.876 5.874 1.00 43.45 C ATOM 1677 OG SER A 112 25.911 -11.868 5.658 1.00 13.22 O ATOM 0 H SER A 112 24.690 -10.580 6.860 1.00 54.12 H new ATOM 0 HA SER A 112 23.107 -13.004 6.995 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.430 -13.842 5.986 1.00 43.45 H new ATOM 0 HB3 SER A 112 24.286 -12.949 5.004 1.00 43.45 H new ATOM 0 HG SER A 112 25.505 -11.121 5.170 1.00 13.22 H new