USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 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 HE2:sc= -0.199 K(o=-0.26,f=-1.1) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.064 USER MOD Single : A 13 MET CE :methyl -141:sc= -1.63 (180deg=-4.45!) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= -0.522 (180deg=-0.989) USER MOD Single : A 23 SER OG : rot 180:sc= -0.159 USER MOD Single : A 27 ASN : amide:sc= -3.34 K(o=-3.3,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 0.982 (180deg=-0.121) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 104:sc= 0.0541 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 52 SER OG : rot -34:sc= 0.953 USER MOD Single : A 56 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.14) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -65:sc= 0.28 USER MOD Single : A 69 TYR OH : rot -72:sc= -0.607 USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -1.89 (180deg=-5.64!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0309 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 -170:sc= -0.106 USER MOD Single : A 110 MET CE :methyl -122:sc= -1.1 (180deg=-8.36!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 13.936 10.654 -0.653 1.00 53.44 N ATOM 124 CA PRO A 11 15.050 10.608 -1.605 1.00 54.45 C ATOM 125 C PRO A 11 16.214 9.766 -1.094 1.00 45.03 C ATOM 126 O PRO A 11 16.989 9.219 -1.879 1.00 23.34 O ATOM 127 CB PRO A 11 15.467 12.075 -1.734 1.00 72.55 C ATOM 128 CG PRO A 11 15.034 12.706 -0.456 1.00 3.34 C ATOM 129 CD PRO A 11 13.782 11.984 -0.042 1.00 61.21 C ATOM 0 HA PRO A 11 14.760 10.149 -2.550 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.543 12.169 -1.877 1.00 72.55 H new ATOM 0 HB3 PRO A 11 14.989 12.549 -2.591 1.00 72.55 H new ATOM 0 HG2 PRO A 11 15.808 12.614 0.306 1.00 3.34 H new ATOM 0 HG3 PRO A 11 14.844 13.771 -0.591 1.00 3.34 H new ATOM 0 HD2 PRO A 11 13.695 11.920 1.043 1.00 61.21 H new ATOM 0 HD3 PRO A 11 12.888 12.491 -0.404 1.00 61.21 H new ATOM 137 N LEU A 12 16.332 9.667 0.226 1.00 63.12 N ATOM 138 CA LEU A 12 17.403 8.891 0.842 1.00 52.33 C ATOM 139 C LEU A 12 16.925 8.234 2.133 1.00 2.43 C ATOM 140 O LEU A 12 16.619 8.916 3.110 1.00 13.02 O ATOM 141 CB LEU A 12 18.610 9.787 1.127 1.00 40.22 C ATOM 142 CG LEU A 12 19.891 9.070 1.554 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.799 8.632 3.007 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.161 7.875 0.651 1.00 15.23 C ATOM 0 H LEU A 12 15.700 10.114 0.890 1.00 63.12 H new ATOM 0 HA LEU A 12 17.698 8.107 0.145 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.825 10.369 0.231 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.335 10.495 1.909 1.00 40.22 H new ATOM 0 HG LEU A 12 20.723 9.767 1.458 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.720 8.124 3.293 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.655 9.506 3.642 1.00 73.42 H new ATOM 0 HD13 LEU A 12 18.956 7.952 3.129 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.077 7.377 0.970 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.327 7.176 0.714 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.273 8.215 -0.379 1.00 15.23 H new ATOM 156 N MET A 13 16.868 6.907 2.130 1.00 61.20 N ATOM 157 CA MET A 13 16.431 6.159 3.303 1.00 22.34 C ATOM 158 C MET A 13 17.368 4.986 3.580 1.00 2.51 C ATOM 159 O MET A 13 17.949 4.413 2.658 1.00 53.15 O ATOM 160 CB MET A 13 15.002 5.650 3.107 1.00 74.34 C ATOM 161 CG MET A 13 14.832 4.775 1.875 1.00 62.10 C ATOM 162 SD MET A 13 13.588 3.490 2.102 1.00 31.34 S ATOM 163 CE MET A 13 14.305 2.560 3.455 1.00 60.31 C ATOM 0 H MET A 13 17.119 6.327 1.329 1.00 61.20 H new ATOM 0 HA MET A 13 16.455 6.831 4.161 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.703 5.084 3.989 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.328 6.503 3.032 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.553 5.399 1.026 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.787 4.311 1.629 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.140 1.495 3.292 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.376 2.757 3.505 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.836 2.861 4.392 1.00 60.31 H new ATOM 173 N VAL A 14 17.509 4.636 4.854 1.00 21.22 N ATOM 174 CA VAL A 14 18.374 3.531 5.251 1.00 2.34 C ATOM 175 C VAL A 14 17.562 2.272 5.535 1.00 34.21 C ATOM 176 O VAL A 14 16.649 2.281 6.361 1.00 35.53 O ATOM 177 CB VAL A 14 19.202 3.888 6.500 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.037 2.697 6.946 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.084 5.096 6.227 1.00 44.55 C ATOM 0 H VAL A 14 17.036 5.101 5.629 1.00 21.22 H new ATOM 0 HA VAL A 14 19.050 3.343 4.417 1.00 2.34 H new ATOM 0 HB VAL A 14 18.516 4.143 7.308 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.615 2.968 7.829 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.380 1.861 7.185 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.715 2.407 6.143 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.662 5.334 7.120 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.763 4.872 5.404 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.460 5.949 5.960 1.00 44.55 H new ATOM 189 N LYS A 15 17.901 1.188 4.845 1.00 20.03 N ATOM 190 CA LYS A 15 17.207 -0.082 5.023 1.00 34.30 C ATOM 191 C LYS A 15 18.161 -1.159 5.527 1.00 62.02 C ATOM 192 O LYS A 15 19.035 -1.621 4.794 1.00 61.44 O ATOM 193 CB LYS A 15 16.569 -0.527 3.705 1.00 53.00 C ATOM 194 CG LYS A 15 16.004 -1.935 3.748 1.00 15.14 C ATOM 195 CD LYS A 15 14.847 -2.043 4.728 1.00 41.01 C ATOM 196 CE LYS A 15 15.276 -2.707 6.026 1.00 63.11 C ATOM 197 NZ LYS A 15 14.187 -3.539 6.610 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.653 1.164 4.156 1.00 20.03 H new ATOM 0 HA LYS A 15 16.425 0.062 5.768 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.771 0.168 3.445 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.314 -0.468 2.912 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.667 -2.223 2.752 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.790 -2.635 4.033 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.454 -1.049 4.939 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.038 -2.616 4.275 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.151 -3.331 5.843 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.574 -1.943 6.744 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.346 -3.652 7.632 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.271 -3.073 6.452 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.182 -4.474 6.155 1.00 53.54 H new ATOM 211 N VAL A 16 17.990 -1.555 6.785 1.00 25.51 N ATOM 212 CA VAL A 16 18.834 -2.579 7.386 1.00 72.30 C ATOM 213 C VAL A 16 17.998 -3.732 7.930 1.00 42.30 C ATOM 214 O VAL A 16 17.134 -3.537 8.785 1.00 53.32 O ATOM 215 CB VAL A 16 19.694 -2.001 8.526 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.581 -3.080 9.126 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.527 -0.832 8.023 1.00 21.20 C ATOM 0 H VAL A 16 17.274 -1.181 7.407 1.00 25.51 H new ATOM 0 HA VAL A 16 19.490 -2.950 6.598 1.00 72.30 H new ATOM 0 HB VAL A 16 19.030 -1.634 9.309 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.181 -2.653 9.929 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.960 -3.882 9.524 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.239 -3.480 8.355 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.129 -0.435 8.841 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.183 -1.171 7.221 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.867 -0.051 7.646 1.00 21.20 H new ATOM 227 N LEU A 17 18.260 -4.934 7.429 1.00 45.53 N ATOM 228 CA LEU A 17 17.531 -6.120 7.865 1.00 34.25 C ATOM 229 C LEU A 17 18.476 -7.302 8.053 1.00 35.30 C ATOM 230 O LEU A 17 19.502 -7.402 7.379 1.00 14.24 O ATOM 231 CB LEU A 17 16.444 -6.478 6.849 1.00 4.15 C ATOM 232 CG LEU A 17 16.900 -7.293 5.638 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.507 -8.753 5.798 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.314 -6.717 4.356 1.00 44.01 C ATOM 0 H LEU A 17 18.972 -5.113 6.721 1.00 45.53 H new ATOM 0 HA LEU A 17 17.064 -5.896 8.824 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.663 -7.037 7.364 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.991 -5.554 6.490 1.00 4.15 H new ATOM 0 HG LEU A 17 17.987 -7.236 5.574 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.840 -9.317 4.927 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.975 -9.160 6.694 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.423 -8.830 5.888 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.649 -7.309 3.505 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.226 -6.742 4.410 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.647 -5.686 4.235 1.00 44.01 H new ATOM 246 N ASP A 18 18.124 -8.196 8.970 1.00 35.22 N ATOM 247 CA ASP A 18 18.939 -9.373 9.244 1.00 62.01 C ATOM 248 C ASP A 18 18.714 -10.449 8.186 1.00 31.11 C ATOM 249 O ASP A 18 17.578 -10.835 7.912 1.00 73.51 O ATOM 250 CB ASP A 18 18.618 -9.930 10.632 1.00 12.00 C ATOM 251 CG ASP A 18 19.396 -9.232 11.731 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.058 -8.073 12.052 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 20.340 -9.845 12.270 1.00 41.53 O ATOM 0 H ASP A 18 17.279 -8.128 9.537 1.00 35.22 H new ATOM 0 HA ASP A 18 19.987 -9.074 9.214 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.550 -9.825 10.824 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.843 -10.996 10.653 1.00 12.00 H new ATOM 258 N ALA A 19 19.804 -10.926 7.594 1.00 34.14 N ATOM 259 CA ALA A 19 19.726 -11.957 6.567 1.00 74.24 C ATOM 260 C ALA A 19 19.568 -13.340 7.188 1.00 42.11 C ATOM 261 O ALA A 19 19.498 -14.346 6.481 1.00 25.21 O ATOM 262 CB ALA A 19 20.960 -11.911 5.678 1.00 45.22 C ATOM 0 H ALA A 19 20.751 -10.615 7.808 1.00 34.14 H new ATOM 0 HA ALA A 19 18.845 -11.761 5.956 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.888 -12.687 4.915 1.00 45.22 H new ATOM 0 HB2 ALA A 19 21.026 -10.935 5.198 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.851 -12.079 6.283 1.00 45.22 H new ATOM 268 N VAL A 20 19.516 -13.385 8.515 1.00 34.04 N ATOM 269 CA VAL A 20 19.367 -14.647 9.233 1.00 21.35 C ATOM 270 C VAL A 20 17.902 -15.051 9.334 1.00 44.04 C ATOM 271 O VAL A 20 17.561 -16.226 9.202 1.00 43.12 O ATOM 272 CB VAL A 20 19.964 -14.560 10.650 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.865 -15.904 11.355 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.409 -14.085 10.591 1.00 3.13 C ATOM 0 H VAL A 20 19.575 -12.563 9.116 1.00 34.04 H new ATOM 0 HA VAL A 20 19.910 -15.402 8.664 1.00 21.35 H new ATOM 0 HB VAL A 20 19.389 -13.833 11.223 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.292 -15.823 12.355 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.818 -16.199 11.430 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.414 -16.655 10.786 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.815 -14.029 11.601 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.999 -14.786 10.001 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.449 -13.099 10.129 1.00 3.13 H new ATOM 284 N ARG A 21 17.037 -14.069 9.571 1.00 13.31 N ATOM 285 CA ARG A 21 15.607 -14.323 9.692 1.00 41.52 C ATOM 286 C ARG A 21 14.831 -13.592 8.600 1.00 40.44 C ATOM 287 O ARG A 21 13.720 -13.984 8.245 1.00 1.41 O ATOM 288 CB ARG A 21 15.104 -13.887 11.069 1.00 42.31 C ATOM 289 CG ARG A 21 16.033 -14.275 12.208 1.00 55.31 C ATOM 290 CD ARG A 21 16.940 -13.120 12.605 1.00 11.13 C ATOM 291 NE ARG A 21 16.573 -12.558 13.902 1.00 51.30 N ATOM 292 CZ ARG A 21 16.769 -13.185 15.057 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.326 -14.390 15.074 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 16.409 -12.609 16.196 1.00 1.52 N ATOM 0 H ARG A 21 17.302 -13.091 9.683 1.00 13.31 H new ATOM 0 HA ARG A 21 15.443 -15.394 9.576 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.971 -12.805 11.072 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.123 -14.329 11.245 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.443 -14.589 13.069 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.640 -15.130 11.909 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.973 -13.465 12.639 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.889 -12.341 11.845 1.00 11.13 H new ATOM 0 HE ARG A 21 16.143 -11.633 13.922 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.604 -14.836 14.200 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.476 -14.870 15.961 1.00 72.23 H new ATOM 0 HH21 ARG A 21 15.981 -11.683 16.186 1.00 1.52 H new ATOM 0 HH22 ARG A 21 16.560 -13.092 17.082 1.00 1.52 H new ATOM 308 N GLY A 22 15.424 -12.526 8.072 1.00 74.32 N ATOM 309 CA GLY A 22 14.775 -11.756 7.027 1.00 71.21 C ATOM 310 C GLY A 22 13.986 -10.583 7.576 1.00 53.11 C ATOM 311 O GLY A 22 13.295 -9.889 6.832 1.00 34.42 O ATOM 0 H GLY A 22 16.343 -12.182 8.349 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.528 -11.389 6.330 1.00 71.21 H new ATOM 0 HA3 GLY A 22 14.107 -12.406 6.462 1.00 71.21 H new ATOM 315 N SER A 23 14.090 -10.363 8.883 1.00 51.51 N ATOM 316 CA SER A 23 13.376 -9.268 9.532 1.00 3.34 C ATOM 317 C SER A 23 14.273 -8.042 9.669 1.00 32.43 C ATOM 318 O SER A 23 15.497 -8.120 9.566 1.00 43.34 O ATOM 319 CB SER A 23 12.876 -9.705 10.910 1.00 71.44 C ATOM 320 OG SER A 23 13.558 -10.864 11.356 1.00 35.11 O ATOM 0 H SER A 23 14.661 -10.927 9.513 1.00 51.51 H new ATOM 0 HA SER A 23 12.521 -9.003 8.910 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.021 -8.896 11.626 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.805 -9.904 10.866 1.00 71.44 H new ATOM 0 HG SER A 23 13.221 -11.122 12.240 1.00 35.11 H new ATOM 326 N PRO A 24 13.648 -6.878 9.908 1.00 34.11 N ATOM 327 CA PRO A 24 14.369 -5.611 10.066 1.00 75.01 C ATOM 328 C PRO A 24 15.173 -5.559 11.360 1.00 32.44 C ATOM 329 O PRO A 24 14.824 -6.207 12.345 1.00 65.23 O ATOM 330 CB PRO A 24 13.250 -4.567 10.087 1.00 55.43 C ATOM 331 CG PRO A 24 12.050 -5.308 10.568 1.00 2.33 C ATOM 332 CD PRO A 24 12.192 -6.711 10.043 1.00 25.13 C ATOM 0 HA PRO A 24 15.100 -5.456 9.272 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.495 -3.737 10.750 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.084 -4.145 9.096 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.998 -5.302 11.657 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.133 -4.845 10.203 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.765 -7.442 10.730 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.683 -6.836 9.087 1.00 25.13 H new ATOM 340 N ALA A 25 16.251 -4.782 11.351 1.00 41.01 N ATOM 341 CA ALA A 25 17.102 -4.642 12.526 1.00 63.44 C ATOM 342 C ALA A 25 16.758 -3.379 13.307 1.00 30.11 C ATOM 343 O ALA A 25 16.556 -2.313 12.724 1.00 75.14 O ATOM 344 CB ALA A 25 18.568 -4.628 12.116 1.00 64.11 C ATOM 0 H ALA A 25 16.556 -4.240 10.543 1.00 41.01 H new ATOM 0 HA ALA A 25 16.925 -5.499 13.176 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.193 -4.523 13.003 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.813 -5.561 11.608 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.750 -3.790 11.443 1.00 64.11 H new ATOM 350 N ILE A 26 16.690 -3.507 14.628 1.00 43.00 N ATOM 351 CA ILE A 26 16.370 -2.375 15.489 1.00 13.15 C ATOM 352 C ILE A 26 17.609 -1.875 16.223 1.00 11.44 C ATOM 353 O ILE A 26 18.430 -2.666 16.686 1.00 75.40 O ATOM 354 CB ILE A 26 15.287 -2.741 16.521 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.895 -2.449 15.957 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.510 -1.976 17.817 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.441 -1.024 16.177 1.00 11.12 C ATOM 0 H ILE A 26 16.852 -4.383 15.125 1.00 43.00 H new ATOM 0 HA ILE A 26 15.991 -1.584 14.842 1.00 13.15 H new ATOM 0 HB ILE A 26 15.356 -3.808 16.735 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.893 -2.661 14.888 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.176 -3.126 16.418 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.737 -2.245 18.536 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.489 -2.229 18.225 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.465 -0.905 17.620 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.447 -0.889 15.752 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.410 -0.813 17.246 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.139 -0.341 15.692 1.00 11.12 H new ATOM 369 N ASN A 27 17.736 -0.556 16.330 1.00 72.15 N ATOM 370 CA ASN A 27 18.874 0.050 17.011 1.00 74.24 C ATOM 371 C ASN A 27 20.178 -0.286 16.293 1.00 65.44 C ATOM 372 O ASN A 27 21.102 -0.840 16.889 1.00 74.45 O ATOM 373 CB ASN A 27 18.940 -0.428 18.463 1.00 42.11 C ATOM 374 CG ASN A 27 17.625 -0.237 19.194 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.213 -1.087 19.984 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.961 0.882 18.935 1.00 65.05 N ATOM 0 H ASN A 27 17.065 0.113 15.954 1.00 72.15 H new ATOM 0 HA ASN A 27 18.740 1.132 16.998 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.214 -1.483 18.483 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.726 0.116 18.987 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.071 1.066 19.398 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.341 1.559 18.273 1.00 65.05 H new ATOM 383 N VAL A 28 20.247 0.057 15.010 1.00 63.23 N ATOM 384 CA VAL A 28 21.438 -0.206 14.212 1.00 64.00 C ATOM 385 C VAL A 28 22.137 1.092 13.823 1.00 62.33 C ATOM 386 O VAL A 28 21.625 1.867 13.017 1.00 75.42 O ATOM 387 CB VAL A 28 21.095 -0.994 12.934 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.343 -1.224 12.096 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.427 -2.314 13.285 1.00 70.12 C ATOM 0 H VAL A 28 19.492 0.517 14.502 1.00 63.23 H new ATOM 0 HA VAL A 28 22.107 -0.804 14.830 1.00 64.00 H new ATOM 0 HB VAL A 28 20.394 -0.405 12.343 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.080 -1.782 11.197 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.774 -0.263 11.813 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.071 -1.791 12.676 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.192 -2.857 12.370 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.102 -2.911 13.898 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.508 -2.121 13.839 1.00 70.12 H new ATOM 399 N ALA A 29 23.310 1.322 14.403 1.00 51.31 N ATOM 400 CA ALA A 29 24.081 2.526 14.116 1.00 14.44 C ATOM 401 C ALA A 29 24.360 2.655 12.622 1.00 34.01 C ATOM 402 O ALA A 29 24.831 1.714 11.985 1.00 1.50 O ATOM 403 CB ALA A 29 25.386 2.517 14.900 1.00 51.41 C ATOM 0 H ALA A 29 23.747 0.691 15.074 1.00 51.31 H new ATOM 0 HA ALA A 29 23.491 3.389 14.425 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.951 3.422 14.676 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.169 2.480 15.968 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.973 1.643 14.619 1.00 51.41 H new ATOM 409 N VAL A 30 24.065 3.828 12.070 1.00 53.05 N ATOM 410 CA VAL A 30 24.283 4.081 10.650 1.00 30.12 C ATOM 411 C VAL A 30 24.863 5.472 10.424 1.00 13.12 C ATOM 412 O VAL A 30 24.357 6.461 10.955 1.00 14.35 O ATOM 413 CB VAL A 30 22.977 3.944 9.848 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.249 4.077 8.357 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.298 2.618 10.158 1.00 21.10 C ATOM 0 H VAL A 30 23.675 4.618 12.584 1.00 53.05 H new ATOM 0 HA VAL A 30 24.994 3.332 10.300 1.00 30.12 H new ATOM 0 HB VAL A 30 22.304 4.749 10.143 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.314 3.977 7.806 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.688 5.054 8.153 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.940 3.295 8.042 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.376 2.538 9.582 1.00 21.10 H new ATOM 0 HG22 VAL A 30 22.964 1.797 9.892 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.067 2.568 11.222 1.00 21.10 H new ATOM 425 N HIS A 31 25.928 5.542 9.630 1.00 64.03 N ATOM 426 CA HIS A 31 26.577 6.813 9.332 1.00 64.42 C ATOM 427 C HIS A 31 26.696 7.022 7.825 1.00 32.44 C ATOM 428 O HIS A 31 27.367 6.257 7.133 1.00 61.22 O ATOM 429 CB HIS A 31 27.962 6.868 9.976 1.00 31.03 C ATOM 430 CG HIS A 31 27.984 6.374 11.390 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.015 6.699 12.316 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.865 5.573 12.035 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.300 6.121 13.469 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.417 5.431 13.325 1.00 41.10 N ATOM 0 H HIS A 31 26.359 4.733 9.182 1.00 64.03 H new ATOM 0 HA HIS A 31 25.961 7.612 9.745 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.655 6.273 9.381 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.324 7.896 9.953 1.00 31.03 H new ATOM 0 HD1 HIS A 31 26.205 7.293 12.138 1.00 72.45 H new ATOM 0 HD2 HIS A 31 29.754 5.129 11.613 1.00 62.03 H new ATOM 0 HE1 HIS A 31 26.718 6.199 14.376 1.00 20.24 H new ATOM 442 N VAL A 32 26.037 8.063 7.323 1.00 24.00 N ATOM 443 CA VAL A 32 26.069 8.372 5.898 1.00 4.03 C ATOM 444 C VAL A 32 27.121 9.430 5.590 1.00 11.32 C ATOM 445 O VAL A 32 27.213 10.449 6.276 1.00 31.44 O ATOM 446 CB VAL A 32 24.698 8.865 5.400 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.680 8.952 3.882 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.589 7.954 5.903 1.00 32.45 C ATOM 0 H VAL A 32 25.475 8.706 7.882 1.00 24.00 H new ATOM 0 HA VAL A 32 26.324 7.448 5.379 1.00 4.03 H new ATOM 0 HB VAL A 32 24.525 9.864 5.799 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.703 9.302 3.549 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.448 9.649 3.548 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.876 7.967 3.459 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.627 8.318 5.541 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.755 6.941 5.536 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.588 7.949 6.993 1.00 32.45 H new ATOM 458 N PHE A 33 27.914 9.184 4.552 1.00 51.12 N ATOM 459 CA PHE A 33 28.961 10.117 4.151 1.00 51.45 C ATOM 460 C PHE A 33 28.853 10.452 2.667 1.00 55.55 C ATOM 461 O PHE A 33 28.154 9.771 1.915 1.00 10.22 O ATOM 462 CB PHE A 33 30.340 9.528 4.452 1.00 10.20 C ATOM 463 CG PHE A 33 30.718 9.597 5.905 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.100 8.776 6.834 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.690 10.483 6.341 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.444 8.838 8.171 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.039 10.550 7.676 1.00 73.04 C ATOM 468 CZ PHE A 33 31.415 9.725 8.593 1.00 5.30 C ATOM 0 H PHE A 33 27.851 8.346 3.973 1.00 51.12 H new ATOM 0 HA PHE A 33 28.832 11.036 4.723 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.360 8.487 4.129 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.089 10.059 3.864 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.341 8.080 6.510 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.181 11.129 5.628 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.954 8.193 8.885 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.798 11.246 8.003 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.686 9.774 9.637 1.00 5.30 H new ATOM 478 N ARG A 34 29.547 11.506 2.251 1.00 64.43 N ATOM 479 CA ARG A 34 29.528 11.933 0.857 1.00 65.22 C ATOM 480 C ARG A 34 30.943 12.188 0.348 1.00 15.34 C ATOM 481 O ARG A 34 31.835 12.556 1.113 1.00 10.42 O ATOM 482 CB ARG A 34 28.682 13.198 0.701 1.00 44.03 C ATOM 483 CG ARG A 34 28.587 13.694 -0.732 1.00 42.14 C ATOM 484 CD ARG A 34 29.513 14.876 -0.975 1.00 65.22 C ATOM 485 NE ARG A 34 29.196 15.574 -2.218 1.00 22.33 N ATOM 486 CZ ARG A 34 29.405 15.058 -3.424 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.929 13.846 -3.548 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.090 15.755 -4.509 1.00 1.52 N ATOM 0 H ARG A 34 30.130 12.080 2.860 1.00 64.43 H new ATOM 0 HA ARG A 34 29.086 11.133 0.263 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.678 13.002 1.076 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.106 13.987 1.322 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.841 12.884 -1.416 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.559 13.985 -0.950 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.439 15.572 -0.140 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.545 14.527 -1.008 1.00 65.22 H new ATOM 0 HE ARG A 34 28.792 16.509 -2.157 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.172 13.308 -2.716 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.089 13.452 -4.475 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.687 16.688 -4.417 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.251 15.358 -5.435 1.00 1.52 H new ATOM 502 N LYS A 35 31.143 11.993 -0.952 1.00 52.41 N ATOM 503 CA LYS A 35 32.449 12.202 -1.565 1.00 13.50 C ATOM 504 C LYS A 35 32.841 13.676 -1.523 1.00 22.12 C ATOM 505 O LYS A 35 32.258 14.502 -2.224 1.00 23.40 O ATOM 506 CB LYS A 35 32.439 11.708 -3.014 1.00 52.13 C ATOM 507 CG LYS A 35 33.497 12.362 -3.887 1.00 14.31 C ATOM 508 CD LYS A 35 34.898 12.076 -3.373 1.00 53.52 C ATOM 509 CE LYS A 35 35.335 10.657 -3.706 1.00 23.31 C ATOM 510 NZ LYS A 35 35.718 10.518 -5.138 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.416 11.690 -1.601 1.00 52.41 H new ATOM 0 HA LYS A 35 33.185 11.632 -0.997 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.590 10.629 -3.022 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.456 11.896 -3.446 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.402 11.998 -4.910 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.332 13.439 -3.916 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.599 12.786 -3.811 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.928 12.223 -2.293 1.00 53.52 H new ATOM 0 HE2 LYS A 35 36.180 10.379 -3.075 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.525 9.964 -3.477 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 35.296 9.651 -5.528 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.372 11.341 -5.671 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.754 10.464 -5.217 1.00 21.52 H new ATOM 524 N ALA A 36 33.831 13.996 -0.696 1.00 11.43 N ATOM 525 CA ALA A 36 34.302 15.368 -0.565 1.00 5.53 C ATOM 526 C ALA A 36 35.121 15.787 -1.781 1.00 3.33 C ATOM 527 O ALA A 36 35.627 14.943 -2.521 1.00 43.41 O ATOM 528 CB ALA A 36 35.124 15.525 0.705 1.00 65.22 C ATOM 0 H ALA A 36 34.322 13.323 -0.107 1.00 11.43 H new ATOM 0 HA ALA A 36 33.430 16.020 -0.504 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.469 16.555 0.790 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.509 15.276 1.570 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.984 14.856 0.667 1.00 65.22 H new ATOM 534 N ALA A 37 35.246 17.095 -1.984 1.00 31.41 N ATOM 535 CA ALA A 37 36.004 17.625 -3.110 1.00 53.45 C ATOM 536 C ALA A 37 37.460 17.173 -3.054 1.00 42.42 C ATOM 537 O ALA A 37 38.160 17.173 -4.066 1.00 11.14 O ATOM 538 CB ALA A 37 35.921 19.143 -3.134 1.00 43.21 C ATOM 0 H ALA A 37 34.832 17.807 -1.383 1.00 31.41 H new ATOM 0 HA ALA A 37 35.565 17.234 -4.028 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.492 19.525 -3.980 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.879 19.449 -3.231 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.332 19.545 -2.208 1.00 43.21 H new ATOM 544 N ASP A 38 37.909 16.790 -1.863 1.00 21.45 N ATOM 545 CA ASP A 38 39.282 16.335 -1.674 1.00 71.21 C ATOM 546 C ASP A 38 39.371 14.816 -1.781 1.00 42.43 C ATOM 547 O ASP A 38 40.339 14.208 -1.324 1.00 64.32 O ATOM 548 CB ASP A 38 39.811 16.796 -0.315 1.00 40.43 C ATOM 549 CG ASP A 38 41.168 17.466 -0.419 1.00 61.52 C ATOM 550 OD1 ASP A 38 41.250 18.546 -1.041 1.00 35.52 O ATOM 551 OD2 ASP A 38 42.146 16.910 0.122 1.00 52.21 O1- ATOM 0 H ASP A 38 37.343 16.786 -1.015 1.00 21.45 H new ATOM 0 HA ASP A 38 39.896 16.772 -2.461 1.00 71.21 H new ATOM 0 HB2 ASP A 38 39.100 17.490 0.132 1.00 40.43 H new ATOM 0 HB3 ASP A 38 39.883 15.938 0.354 1.00 40.43 H new ATOM 556 N ASP A 39 38.356 14.210 -2.386 1.00 23.33 N ATOM 557 CA ASP A 39 38.319 12.762 -2.553 1.00 64.41 C ATOM 558 C ASP A 39 38.317 12.059 -1.199 1.00 62.43 C ATOM 559 O ASP A 39 38.963 11.025 -1.021 1.00 42.41 O ATOM 560 CB ASP A 39 39.515 12.293 -3.382 1.00 53.30 C ATOM 561 CG ASP A 39 39.415 10.830 -3.767 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.453 10.467 -4.477 1.00 73.02 O1- ATOM 563 OD2 ASP A 39 40.297 10.046 -3.359 1.00 1.24 O ATOM 0 H ASP A 39 37.547 14.699 -2.769 1.00 23.33 H new ATOM 0 HA ASP A 39 37.399 12.505 -3.078 1.00 64.41 H new ATOM 0 HB2 ASP A 39 39.587 12.899 -4.285 1.00 53.30 H new ATOM 0 HB3 ASP A 39 40.432 12.455 -2.815 1.00 53.30 H new ATOM 568 N THR A 40 37.585 12.627 -0.244 1.00 24.15 N ATOM 569 CA THR A 40 37.499 12.056 1.095 1.00 43.05 C ATOM 570 C THR A 40 36.054 11.755 1.472 1.00 61.51 C ATOM 571 O THR A 40 35.136 11.979 0.682 1.00 34.22 O ATOM 572 CB THR A 40 38.107 13.002 2.147 1.00 44.50 C ATOM 573 OG1 THR A 40 37.204 14.081 2.415 1.00 41.21 O ATOM 574 CG2 THR A 40 39.441 13.556 1.672 1.00 21.33 C ATOM 0 H THR A 40 37.044 13.482 -0.374 1.00 24.15 H new ATOM 0 HA THR A 40 38.068 11.126 1.081 1.00 43.05 H new ATOM 0 HB THR A 40 38.274 12.433 3.061 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.597 14.677 3.086 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.850 14.221 2.432 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.135 12.734 1.498 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.295 14.111 0.745 1.00 21.33 H new ATOM 582 N TRP A 41 35.858 11.246 2.682 1.00 45.03 N ATOM 583 CA TRP A 41 34.522 10.914 3.166 1.00 2.42 C ATOM 584 C TRP A 41 34.024 11.962 4.155 1.00 70.44 C ATOM 585 O TRP A 41 34.481 12.017 5.296 1.00 32.21 O ATOM 586 CB TRP A 41 34.523 9.534 3.824 1.00 70.13 C ATOM 587 CG TRP A 41 34.602 8.407 2.839 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.149 8.447 1.588 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.116 7.073 3.023 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.032 7.220 0.984 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.403 6.358 1.844 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.469 6.411 4.070 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.063 5.017 1.684 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.133 5.081 3.911 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.430 4.395 2.726 1.00 75.05 C ATOM 0 H TRP A 41 36.607 11.054 3.347 1.00 45.03 H new ATOM 0 HA TRP A 41 33.847 10.900 2.310 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.367 9.467 4.510 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.618 9.423 4.421 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.606 9.317 1.140 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.360 6.987 0.047 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.236 6.931 4.988 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.291 4.487 0.771 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.633 4.561 4.714 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.154 3.355 2.633 1.00 75.05 H new ATOM 606 N GLU A 42 33.087 12.793 3.709 1.00 73.10 N ATOM 607 CA GLU A 42 32.529 13.840 4.557 1.00 54.20 C ATOM 608 C GLU A 42 31.228 13.377 5.208 1.00 4.34 C ATOM 609 O GLU A 42 30.502 12.538 4.675 1.00 73.22 O ATOM 610 CB GLU A 42 32.280 15.110 3.741 1.00 31.41 C ATOM 611 CG GLU A 42 33.535 15.931 3.495 1.00 53.13 C ATOM 612 CD GLU A 42 33.761 16.987 4.560 1.00 51.31 C ATOM 613 OE1 GLU A 42 33.130 18.061 4.474 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.568 16.737 5.480 1.00 64.44 O ATOM 0 H GLU A 42 32.699 12.762 2.766 1.00 73.10 H new ATOM 0 HA GLU A 42 33.251 14.058 5.344 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.842 14.835 2.782 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.548 15.728 4.261 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.398 15.266 3.459 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.464 16.413 2.520 1.00 53.13 H new ATOM 621 N PRO A 43 30.926 13.939 6.388 1.00 54.34 N ATOM 622 CA PRO A 43 29.712 13.599 7.138 1.00 24.43 C ATOM 623 C PRO A 43 28.448 14.115 6.458 1.00 42.40 C ATOM 624 O PRO A 43 28.256 15.322 6.316 1.00 63.02 O ATOM 625 CB PRO A 43 29.919 14.298 8.483 1.00 15.11 C ATOM 626 CG PRO A 43 30.843 15.429 8.184 1.00 23.24 C ATOM 627 CD PRO A 43 31.744 14.946 7.082 1.00 63.44 C ATOM 0 HA PRO A 43 29.571 12.521 7.220 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.974 14.656 8.893 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.349 13.620 9.220 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.288 16.315 7.875 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.420 15.706 9.067 1.00 23.24 H new ATOM 0 HD2 PRO A 43 32.033 15.758 6.415 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.664 14.514 7.476 1.00 63.44 H new ATOM 635 N PHE A 44 27.588 13.192 6.041 1.00 23.33 N ATOM 636 CA PHE A 44 26.341 13.554 5.375 1.00 30.03 C ATOM 637 C PHE A 44 25.153 13.389 6.319 1.00 11.52 C ATOM 638 O PHE A 44 24.232 14.206 6.323 1.00 21.02 O ATOM 639 CB PHE A 44 26.138 12.695 4.126 1.00 54.34 C ATOM 640 CG PHE A 44 24.936 13.091 3.316 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.666 12.691 3.696 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.078 13.863 2.174 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.558 13.053 2.954 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.974 14.228 1.428 1.00 24.11 C ATOM 645 CZ PHE A 44 22.712 13.822 1.817 1.00 75.12 C ATOM 0 H PHE A 44 27.731 12.188 6.152 1.00 23.33 H new ATOM 0 HA PHE A 44 26.406 14.601 5.080 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.027 12.763 3.499 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.038 11.652 4.425 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.540 12.089 4.583 1.00 23.01 H new ATOM 0 HD2 PHE A 44 26.062 14.183 1.864 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.573 12.735 3.263 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.097 14.831 0.540 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.848 14.105 1.234 1.00 75.12 H new ATOM 655 N ALA A 45 25.182 12.327 7.117 1.00 71.23 N ATOM 656 CA ALA A 45 24.109 12.055 8.066 1.00 64.43 C ATOM 657 C ALA A 45 24.478 10.902 8.994 1.00 24.31 C ATOM 658 O ALA A 45 25.528 10.280 8.841 1.00 5.31 O ATOM 659 CB ALA A 45 22.816 11.748 7.326 1.00 55.21 C ATOM 0 H ALA A 45 25.937 11.641 7.125 1.00 71.23 H new ATOM 0 HA ALA A 45 23.961 12.946 8.677 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.023 11.547 8.047 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.538 12.603 6.710 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.959 10.874 6.691 1.00 55.21 H new ATOM 665 N SER A 46 23.606 10.624 9.958 1.00 61.42 N ATOM 666 CA SER A 46 23.841 9.550 10.915 1.00 20.23 C ATOM 667 C SER A 46 22.594 9.285 11.753 1.00 55.20 C ATOM 668 O SER A 46 21.711 10.136 11.858 1.00 65.33 O ATOM 669 CB SER A 46 25.018 9.899 11.828 1.00 30.24 C ATOM 670 OG SER A 46 24.784 9.457 13.154 1.00 45.23 O ATOM 0 H SER A 46 22.730 11.128 10.097 1.00 61.42 H new ATOM 0 HA SER A 46 24.080 8.646 10.356 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.929 9.440 11.444 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.178 10.977 11.824 1.00 30.24 H new ATOM 0 HG SER A 46 25.551 9.691 13.717 1.00 45.23 H new ATOM 676 N GLY A 47 22.529 8.098 12.348 1.00 22.52 N ATOM 677 CA GLY A 47 21.387 7.741 13.170 1.00 13.24 C ATOM 678 C GLY A 47 21.288 6.247 13.408 1.00 23.24 C ATOM 679 O GLY A 47 22.293 5.537 13.368 1.00 53.34 O ATOM 0 H GLY A 47 23.247 7.377 12.276 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.459 8.255 14.129 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.474 8.090 12.689 1.00 13.24 H new ATOM 683 N LYS A 48 20.074 5.768 13.658 1.00 71.53 N ATOM 684 CA LYS A 48 19.846 4.350 13.904 1.00 65.33 C ATOM 685 C LYS A 48 18.590 3.868 13.185 1.00 1.25 C ATOM 686 O LYS A 48 17.555 4.533 13.208 1.00 42.23 O ATOM 687 CB LYS A 48 19.720 4.086 15.406 1.00 75.34 C ATOM 688 CG LYS A 48 21.019 3.647 16.058 1.00 22.40 C ATOM 689 CD LYS A 48 20.830 3.353 17.537 1.00 43.34 C ATOM 690 CE LYS A 48 20.467 4.610 18.313 1.00 30.21 C ATOM 691 NZ LYS A 48 21.106 4.637 19.657 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.232 6.343 13.695 1.00 71.53 H new ATOM 0 HA LYS A 48 20.701 3.797 13.515 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.365 4.992 15.897 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.964 3.318 15.569 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.397 2.757 15.555 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.771 4.427 15.934 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.046 2.607 17.663 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.746 2.925 17.944 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.776 5.488 17.746 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.384 4.668 18.425 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.834 5.509 20.153 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.791 3.813 20.208 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.140 4.608 19.550 1.00 35.43 H new ATOM 705 N THR A 49 18.689 2.705 12.547 1.00 51.42 N ATOM 706 CA THR A 49 17.561 2.133 11.822 1.00 70.12 C ATOM 707 C THR A 49 16.392 1.851 12.757 1.00 10.11 C ATOM 708 O THR A 49 16.520 1.958 13.977 1.00 53.44 O ATOM 709 CB THR A 49 17.958 0.828 11.105 1.00 52.42 C ATOM 710 OG1 THR A 49 18.184 -0.209 12.066 1.00 74.22 O ATOM 711 CG2 THR A 49 19.210 1.031 10.266 1.00 34.12 C ATOM 0 H THR A 49 19.539 2.141 12.518 1.00 51.42 H new ATOM 0 HA THR A 49 17.257 2.870 11.078 1.00 70.12 H new ATOM 0 HB THR A 49 17.141 0.539 10.444 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.417 -0.819 12.076 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.471 0.096 9.770 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.025 1.801 9.517 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.033 1.342 10.910 1.00 34.12 H new ATOM 719 N SER A 50 15.251 1.490 12.179 1.00 34.50 N ATOM 720 CA SER A 50 14.056 1.196 12.962 1.00 20.42 C ATOM 721 C SER A 50 13.494 -0.176 12.600 1.00 73.51 C ATOM 722 O SER A 50 13.986 -0.837 11.687 1.00 35.41 O ATOM 723 CB SER A 50 12.993 2.272 12.733 1.00 43.22 C ATOM 724 OG SER A 50 11.919 2.129 13.647 1.00 64.44 O ATOM 0 H SER A 50 15.129 1.394 11.171 1.00 34.50 H new ATOM 0 HA SER A 50 14.334 1.189 14.016 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.441 3.260 12.844 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.617 2.205 11.712 1.00 43.22 H new ATOM 0 HG SER A 50 11.253 2.829 13.482 1.00 64.44 H new ATOM 730 N GLU A 51 12.460 -0.594 13.324 1.00 30.32 N ATOM 731 CA GLU A 51 11.831 -1.887 13.079 1.00 23.23 C ATOM 732 C GLU A 51 11.095 -1.890 11.743 1.00 40.22 C ATOM 733 O GLU A 51 10.631 -2.932 11.280 1.00 52.42 O ATOM 734 CB GLU A 51 10.860 -2.228 14.211 1.00 74.31 C ATOM 735 CG GLU A 51 9.914 -1.092 14.565 1.00 31.32 C ATOM 736 CD GLU A 51 8.457 -1.499 14.476 1.00 73.14 C ATOM 737 OE1 GLU A 51 8.051 -2.020 13.416 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.722 -1.293 15.463 1.00 52.03 O ATOM 0 H GLU A 51 12.041 -0.057 14.083 1.00 30.32 H new ATOM 0 HA GLU A 51 12.615 -2.643 13.042 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.274 -3.102 13.925 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.431 -2.504 15.098 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.130 -0.746 15.576 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.094 -0.251 13.895 1.00 31.32 H new ATOM 745 N SER A 52 10.989 -0.716 11.130 1.00 1.54 N ATOM 746 CA SER A 52 10.305 -0.580 9.849 1.00 44.12 C ATOM 747 C SER A 52 11.309 -0.459 8.707 1.00 3.03 C ATOM 748 O SER A 52 10.934 -0.230 7.557 1.00 54.51 O ATOM 749 CB SER A 52 9.383 0.641 9.866 1.00 55.52 C ATOM 750 OG SER A 52 8.681 0.766 8.642 1.00 34.12 O ATOM 0 H SER A 52 11.368 0.156 11.500 1.00 1.54 H new ATOM 0 HA SER A 52 9.706 -1.476 9.688 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.673 0.553 10.689 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.970 1.542 10.046 1.00 55.52 H new ATOM 0 HG SER A 52 9.251 0.460 7.905 1.00 34.12 H new ATOM 756 N GLY A 53 12.588 -0.614 9.032 1.00 14.45 N ATOM 757 CA GLY A 53 13.627 -0.519 8.024 1.00 40.03 C ATOM 758 C GLY A 53 13.812 0.896 7.513 1.00 14.23 C ATOM 759 O GLY A 53 14.338 1.104 6.420 1.00 21.34 O ATOM 0 H GLY A 53 12.924 -0.804 9.976 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.568 -0.877 8.442 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.379 -1.174 7.189 1.00 40.03 H new ATOM 763 N GLU A 54 13.376 1.871 8.306 1.00 31.13 N ATOM 764 CA GLU A 54 13.494 3.273 7.926 1.00 52.11 C ATOM 765 C GLU A 54 14.105 4.095 9.057 1.00 0.31 C ATOM 766 O GLU A 54 13.990 3.738 10.231 1.00 51.32 O ATOM 767 CB GLU A 54 12.123 3.841 7.551 1.00 40.52 C ATOM 768 CG GLU A 54 11.029 3.489 8.544 1.00 10.03 C ATOM 769 CD GLU A 54 9.822 4.401 8.429 1.00 73.01 C ATOM 770 OE1 GLU A 54 10.016 5.620 8.233 1.00 31.31 O ATOM 771 OE2 GLU A 54 8.684 3.898 8.537 1.00 75.13 O1- ATOM 0 H GLU A 54 12.939 1.715 9.214 1.00 31.13 H new ATOM 0 HA GLU A 54 14.153 3.333 7.060 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.197 4.926 7.473 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.842 3.469 6.566 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.717 2.457 8.384 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.429 3.548 9.556 1.00 10.03 H new ATOM 778 N LEU A 55 14.756 5.196 8.698 1.00 5.54 N ATOM 779 CA LEU A 55 15.385 6.069 9.682 1.00 34.15 C ATOM 780 C LEU A 55 14.594 7.362 9.849 1.00 70.31 C ATOM 781 O LEU A 55 13.755 7.701 9.013 1.00 34.41 O ATOM 782 CB LEU A 55 16.822 6.388 9.265 1.00 4.21 C ATOM 783 CG LEU A 55 17.914 5.977 10.253 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.268 5.923 9.561 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.955 6.938 11.433 1.00 14.12 C ATOM 0 H LEU A 55 14.862 5.505 7.732 1.00 5.54 H new ATOM 0 HA LEU A 55 15.397 5.547 10.639 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.020 5.898 8.311 1.00 4.21 H new ATOM 0 HB3 LEU A 55 16.900 7.462 9.094 1.00 4.21 H new ATOM 0 HG LEU A 55 17.681 4.981 10.629 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.033 5.629 10.280 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.233 5.196 8.750 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.509 6.906 9.157 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.738 6.630 12.126 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.164 7.946 11.074 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.993 6.927 11.945 1.00 14.12 H new ATOM 797 N HIS A 56 14.867 8.081 10.933 1.00 5.15 N ATOM 798 CA HIS A 56 14.182 9.339 11.209 1.00 13.42 C ATOM 799 C HIS A 56 14.158 10.228 9.968 1.00 51.22 C ATOM 800 O HIS A 56 13.129 10.361 9.307 1.00 34.12 O ATOM 801 CB HIS A 56 14.863 10.074 12.364 1.00 32.12 C ATOM 802 CG HIS A 56 14.448 9.581 13.716 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.130 9.500 14.115 1.00 23.11 N ATOM 804 CD2 HIS A 56 15.185 9.138 14.762 1.00 72.43 C ATOM 805 CE1 HIS A 56 13.075 9.032 15.349 1.00 1.32 C ATOM 806 NE2 HIS A 56 14.308 8.805 15.765 1.00 3.25 N ATOM 0 H HIS A 56 15.558 7.814 11.635 1.00 5.15 H new ATOM 0 HA HIS A 56 13.154 9.110 11.491 1.00 13.42 H new ATOM 0 HB2 HIS A 56 15.943 9.969 12.264 1.00 32.12 H new ATOM 0 HB3 HIS A 56 14.638 11.138 12.290 1.00 32.12 H new ATOM 0 HD2 HIS A 56 16.262 9.061 14.800 1.00 72.43 H new ATOM 0 HE1 HIS A 56 12.174 8.863 15.921 1.00 1.32 H new ATOM 0 HE2 HIS A 56 14.567 8.441 16.682 1.00 3.25 H new ATOM 814 N GLY A 57 15.300 10.834 9.659 1.00 61.41 N ATOM 815 CA GLY A 57 15.388 11.703 8.501 1.00 74.22 C ATOM 816 C GLY A 57 16.807 12.162 8.226 1.00 32.15 C ATOM 817 O GLY A 57 17.090 13.360 8.226 1.00 74.24 O ATOM 0 H GLY A 57 16.166 10.738 10.190 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.004 11.178 7.627 1.00 74.22 H new ATOM 0 HA3 GLY A 57 14.751 12.574 8.655 1.00 74.22 H new ATOM 821 N LEU A 58 17.700 11.207 7.992 1.00 71.24 N ATOM 822 CA LEU A 58 19.098 11.519 7.716 1.00 13.14 C ATOM 823 C LEU A 58 19.224 12.420 6.493 1.00 72.13 C ATOM 824 O LEU A 58 20.236 13.098 6.308 1.00 54.40 O ATOM 825 CB LEU A 58 19.895 10.231 7.500 1.00 52.25 C ATOM 826 CG LEU A 58 20.586 9.653 8.736 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.560 9.095 9.709 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.585 8.578 8.335 1.00 33.14 C ATOM 0 H LEU A 58 17.481 10.211 7.988 1.00 71.24 H new ATOM 0 HA LEU A 58 19.503 12.050 8.578 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.222 9.474 7.098 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.653 10.420 6.740 1.00 52.25 H new ATOM 0 HG LEU A 58 21.129 10.456 9.234 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.070 8.688 10.582 1.00 71.41 H new ATOM 0 HD12 LEU A 58 18.884 9.891 10.022 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.989 8.305 9.222 1.00 71.41 H new ATOM 0 HD21 LEU A 58 22.067 8.178 9.227 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.065 7.775 7.813 1.00 33.14 H new ATOM 0 HD23 LEU A 58 22.340 9.010 7.678 1.00 33.14 H new ATOM 840 N THR A 59 18.188 12.426 5.659 1.00 63.43 N ATOM 841 CA THR A 59 18.182 13.244 4.453 1.00 22.11 C ATOM 842 C THR A 59 18.546 14.691 4.768 1.00 64.24 C ATOM 843 O THR A 59 18.233 15.200 5.845 1.00 72.41 O ATOM 844 CB THR A 59 16.807 13.213 3.760 1.00 73.42 C ATOM 845 OG1 THR A 59 15.798 13.698 4.651 1.00 35.32 O ATOM 846 CG2 THR A 59 16.459 11.801 3.312 1.00 74.22 C ATOM 0 H THR A 59 17.342 11.873 5.797 1.00 63.43 H new ATOM 0 HA THR A 59 18.929 12.822 3.781 1.00 22.11 H new ATOM 0 HB THR A 59 16.853 13.856 2.881 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.927 13.677 4.202 1.00 35.32 H new ATOM 0 HG21 THR A 59 15.484 11.804 2.825 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.214 11.445 2.610 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.430 11.141 4.179 1.00 74.22 H new ATOM 854 N THR A 60 19.209 15.349 3.823 1.00 12.24 N ATOM 855 CA THR A 60 19.617 16.737 4.000 1.00 43.44 C ATOM 856 C THR A 60 19.660 17.471 2.665 1.00 34.10 C ATOM 857 O THR A 60 19.459 16.872 1.609 1.00 22.23 O ATOM 858 CB THR A 60 20.999 16.835 4.673 1.00 21.12 C ATOM 859 OG1 THR A 60 21.941 16.010 3.979 1.00 74.34 O ATOM 860 CG2 THR A 60 20.923 16.409 6.131 1.00 41.12 C ATOM 0 H THR A 60 19.475 14.943 2.926 1.00 12.24 H new ATOM 0 HA THR A 60 18.874 17.206 4.645 1.00 43.44 H new ATOM 0 HB THR A 60 21.326 17.874 4.631 1.00 21.12 H new ATOM 0 HG1 THR A 60 21.678 15.070 4.065 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.911 16.487 6.585 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.227 17.057 6.664 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.576 15.377 6.191 1.00 41.12 H new ATOM 868 N GLU A 61 19.925 18.773 2.720 1.00 14.50 N ATOM 869 CA GLU A 61 19.994 19.589 1.513 1.00 24.54 C ATOM 870 C GLU A 61 21.171 19.167 0.638 1.00 54.52 C ATOM 871 O GLU A 61 21.251 19.536 -0.533 1.00 63.11 O ATOM 872 CB GLU A 61 20.123 21.070 1.878 1.00 35.23 C ATOM 873 CG GLU A 61 21.252 21.361 2.853 1.00 25.21 C ATOM 874 CD GLU A 61 21.458 22.846 3.079 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.485 23.530 3.458 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.594 23.324 2.877 1.00 13.54 O1- ATOM 0 H GLU A 61 20.095 19.284 3.586 1.00 14.50 H new ATOM 0 HA GLU A 61 19.072 19.439 0.951 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.283 21.647 0.967 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.183 21.412 2.311 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.037 20.878 3.806 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.176 20.923 2.475 1.00 25.21 H new ATOM 883 N GLU A 62 22.083 18.391 1.216 1.00 72.32 N ATOM 884 CA GLU A 62 23.256 17.919 0.489 1.00 31.42 C ATOM 885 C GLU A 62 22.889 16.777 -0.455 1.00 1.45 C ATOM 886 O GLU A 62 23.722 16.305 -1.227 1.00 71.41 O ATOM 887 CB GLU A 62 24.338 17.458 1.467 1.00 1.21 C ATOM 888 CG GLU A 62 25.341 18.543 1.822 1.00 10.03 C ATOM 889 CD GLU A 62 26.004 19.147 0.598 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.590 18.382 -0.196 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 25.935 20.383 0.435 1.00 75.13 O ATOM 0 H GLU A 62 22.032 18.076 2.185 1.00 72.32 H new ATOM 0 HA GLU A 62 23.641 18.748 -0.104 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.862 17.102 2.381 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.870 16.611 1.034 1.00 1.21 H new ATOM 0 HG2 GLU A 62 24.836 19.330 2.383 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.106 18.125 2.476 1.00 10.03 H new ATOM 898 N GLU A 63 21.634 16.341 -0.387 1.00 1.55 N ATOM 899 CA GLU A 63 21.157 15.255 -1.234 1.00 2.15 C ATOM 900 C GLU A 63 21.143 15.675 -2.701 1.00 33.05 C ATOM 901 O GLU A 63 21.048 14.837 -3.598 1.00 33.04 O ATOM 902 CB GLU A 63 19.755 14.821 -0.804 1.00 4.33 C ATOM 903 CG GLU A 63 18.692 15.884 -1.027 1.00 54.34 C ATOM 904 CD GLU A 63 18.129 15.858 -2.435 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.028 14.757 -3.015 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.789 16.941 -2.956 1.00 12.13 O1- ATOM 0 H GLU A 63 20.931 16.723 0.245 1.00 1.55 H new ATOM 0 HA GLU A 63 21.841 14.414 -1.121 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.478 13.922 -1.354 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.775 14.555 0.253 1.00 4.33 H new ATOM 0 HG2 GLU A 63 17.882 15.738 -0.313 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.119 16.867 -0.828 1.00 54.34 H new ATOM 913 N PHE A 64 21.237 16.979 -2.938 1.00 14.24 N ATOM 914 CA PHE A 64 21.233 17.512 -4.295 1.00 42.31 C ATOM 915 C PHE A 64 22.647 17.545 -4.870 1.00 11.50 C ATOM 916 O PHE A 64 23.102 18.575 -5.368 1.00 32.43 O ATOM 917 CB PHE A 64 20.631 18.918 -4.312 1.00 12.40 C ATOM 918 CG PHE A 64 20.347 19.433 -5.694 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.345 18.867 -6.466 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.082 20.482 -6.222 1.00 43.22 C ATOM 921 CE1 PHE A 64 19.083 19.338 -7.739 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.823 20.957 -7.494 1.00 2.15 C ATOM 923 CZ PHE A 64 19.822 20.386 -8.253 1.00 13.33 C ATOM 0 H PHE A 64 21.317 17.686 -2.208 1.00 14.24 H new ATOM 0 HA PHE A 64 20.622 16.856 -4.915 1.00 42.31 H new ATOM 0 HB2 PHE A 64 19.705 18.915 -3.737 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.315 19.603 -3.811 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.762 18.049 -6.069 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.866 20.934 -5.633 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.301 18.887 -8.332 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.404 21.775 -7.894 1.00 2.15 H new ATOM 0 HZ PHE A 64 19.617 20.757 -9.246 1.00 13.33 H new ATOM 933 N VAL A 65 23.335 16.412 -4.797 1.00 14.35 N ATOM 934 CA VAL A 65 24.696 16.308 -5.310 1.00 53.13 C ATOM 935 C VAL A 65 24.774 15.322 -6.470 1.00 62.20 C ATOM 936 O VAL A 65 23.759 14.775 -6.900 1.00 61.02 O ATOM 937 CB VAL A 65 25.679 15.869 -4.209 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.818 16.954 -3.152 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.227 14.557 -3.584 1.00 75.10 C ATOM 0 H VAL A 65 22.972 15.551 -4.387 1.00 14.35 H new ATOM 0 HA VAL A 65 24.977 17.300 -5.663 1.00 53.13 H new ATOM 0 HB VAL A 65 26.658 15.711 -4.662 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.517 16.625 -2.383 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.192 17.867 -3.615 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.845 17.148 -2.700 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.933 14.261 -2.808 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.238 14.685 -3.145 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.186 13.784 -4.351 1.00 75.10 H new ATOM 949 N GLU A 66 25.985 15.098 -6.970 1.00 2.51 N ATOM 950 CA GLU A 66 26.194 14.177 -8.080 1.00 74.43 C ATOM 951 C GLU A 66 25.475 12.854 -7.832 1.00 23.21 C ATOM 952 O GLU A 66 24.880 12.278 -8.742 1.00 2.04 O ATOM 953 CB GLU A 66 27.689 13.925 -8.289 1.00 20.43 C ATOM 954 CG GLU A 66 28.479 15.184 -8.605 1.00 34.14 C ATOM 955 CD GLU A 66 28.492 15.508 -10.086 1.00 41.54 C ATOM 956 OE1 GLU A 66 27.529 15.129 -10.785 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 29.464 16.142 -10.546 1.00 71.33 O ATOM 0 H GLU A 66 26.836 15.542 -6.624 1.00 2.51 H new ATOM 0 HA GLU A 66 25.780 14.633 -8.979 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.100 13.464 -7.391 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.819 13.211 -9.102 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.052 16.024 -8.057 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.504 15.063 -8.254 1.00 34.14 H new ATOM 964 N GLY A 67 25.534 12.377 -6.592 1.00 71.33 N ATOM 965 CA GLY A 67 24.885 11.127 -6.246 1.00 61.34 C ATOM 966 C GLY A 67 25.790 10.204 -5.454 1.00 70.12 C ATOM 967 O GLY A 67 25.393 9.096 -5.092 1.00 52.23 O ATOM 0 H GLY A 67 26.020 12.835 -5.821 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.987 11.336 -5.665 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.565 10.623 -7.158 1.00 61.34 H new ATOM 971 N ILE A 68 27.008 10.661 -5.185 1.00 31.34 N ATOM 972 CA ILE A 68 27.971 9.868 -4.432 1.00 24.21 C ATOM 973 C ILE A 68 27.617 9.836 -2.949 1.00 41.21 C ATOM 974 O ILE A 68 27.640 10.864 -2.272 1.00 52.24 O ATOM 975 CB ILE A 68 29.401 10.414 -4.595 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.712 10.659 -6.073 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.410 9.450 -3.989 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.031 11.363 -6.305 1.00 24.51 C ATOM 0 H ILE A 68 27.351 11.576 -5.477 1.00 31.34 H new ATOM 0 HA ILE A 68 27.930 8.856 -4.835 1.00 24.21 H new ATOM 0 HB ILE A 68 29.473 11.364 -4.065 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.723 9.703 -6.597 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.910 11.254 -6.511 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.416 9.851 -4.113 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.198 9.322 -2.927 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.339 8.486 -4.492 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.185 11.503 -7.375 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.017 12.334 -5.810 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.842 10.760 -5.897 1.00 24.51 H new ATOM 990 N TYR A 69 27.290 8.649 -2.450 1.00 43.21 N ATOM 991 CA TYR A 69 26.931 8.484 -1.046 1.00 1.03 C ATOM 992 C TYR A 69 27.495 7.179 -0.489 1.00 42.24 C ATOM 993 O TYR A 69 27.345 6.116 -1.091 1.00 25.42 O ATOM 994 CB TYR A 69 25.410 8.505 -0.881 1.00 41.35 C ATOM 995 CG TYR A 69 24.742 9.662 -1.589 1.00 60.55 C ATOM 996 CD1 TYR A 69 24.968 10.972 -1.188 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.883 9.444 -2.660 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.359 12.032 -1.831 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.270 10.498 -3.310 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.511 11.791 -2.891 1.00 22.23 C ATOM 1001 OH TYR A 69 22.903 12.844 -3.535 1.00 34.52 O ATOM 0 H TYR A 69 27.266 7.788 -2.996 1.00 43.21 H new ATOM 0 HA TYR A 69 27.363 9.314 -0.487 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.998 7.570 -1.261 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.168 8.551 0.181 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.632 11.166 -0.358 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.691 8.434 -2.990 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.546 13.044 -1.505 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.606 10.311 -4.141 1.00 73.53 H new ATOM 0 HH TYR A 69 22.211 13.226 -2.956 1.00 34.52 H new ATOM 1011 N LYS A 70 28.147 7.270 0.666 1.00 53.02 N ATOM 1012 CA LYS A 70 28.733 6.100 1.307 1.00 22.35 C ATOM 1013 C LYS A 70 28.204 5.937 2.729 1.00 44.40 C ATOM 1014 O LYS A 70 28.607 6.663 3.638 1.00 32.24 O ATOM 1015 CB LYS A 70 30.258 6.215 1.329 1.00 11.12 C ATOM 1016 CG LYS A 70 30.760 7.564 1.813 1.00 64.32 C ATOM 1017 CD LYS A 70 31.692 8.209 0.800 1.00 64.11 C ATOM 1018 CE LYS A 70 30.950 8.609 -0.465 1.00 50.51 C ATOM 1019 NZ LYS A 70 31.132 7.609 -1.554 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.282 8.143 1.177 1.00 53.02 H new ATOM 0 HA LYS A 70 28.450 5.220 0.729 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.663 5.434 1.972 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.642 6.033 0.325 1.00 11.12 H new ATOM 0 HG2 LYS A 70 29.912 8.223 2.000 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.282 7.440 2.762 1.00 64.32 H new ATOM 0 HD2 LYS A 70 32.159 9.089 1.243 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.494 7.515 0.548 1.00 64.11 H new ATOM 0 HE2 LYS A 70 29.888 8.717 -0.245 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.306 9.582 -0.802 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 31.684 8.033 -2.326 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 31.637 6.779 -1.182 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 30.202 7.315 -1.915 1.00 34.32 H new ATOM 1033 N VAL A 71 27.302 4.979 2.914 1.00 65.12 N ATOM 1034 CA VAL A 71 26.721 4.719 4.226 1.00 43.30 C ATOM 1035 C VAL A 71 27.442 3.575 4.930 1.00 4.12 C ATOM 1036 O VAL A 71 27.844 2.599 4.296 1.00 32.12 O ATOM 1037 CB VAL A 71 25.223 4.378 4.118 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.644 4.076 5.492 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.465 5.514 3.449 1.00 13.51 C ATOM 0 H VAL A 71 26.957 4.370 2.172 1.00 65.12 H new ATOM 0 HA VAL A 71 26.838 5.632 4.810 1.00 43.30 H new ATOM 0 HB VAL A 71 25.115 3.486 3.500 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.585 3.837 5.396 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.169 3.227 5.930 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.763 4.947 6.136 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.408 5.256 3.381 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.579 6.424 4.038 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.864 5.677 2.448 1.00 13.51 H new ATOM 1049 N GLU A 72 27.603 3.702 6.244 1.00 21.11 N ATOM 1050 CA GLU A 72 28.276 2.678 7.034 1.00 23.21 C ATOM 1051 C GLU A 72 27.393 2.214 8.189 1.00 64.10 C ATOM 1052 O GLU A 72 26.717 3.020 8.828 1.00 4.11 O ATOM 1053 CB GLU A 72 29.604 3.212 7.575 1.00 23.23 C ATOM 1054 CG GLU A 72 29.958 2.678 8.952 1.00 11.22 C ATOM 1055 CD GLU A 72 31.437 2.801 9.263 1.00 2.12 C ATOM 1056 OE1 GLU A 72 32.233 2.944 8.311 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.799 2.753 10.457 1.00 15.25 O1- ATOM 0 H GLU A 72 27.276 4.504 6.783 1.00 21.11 H new ATOM 0 HA GLU A 72 28.473 1.825 6.385 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.401 2.953 6.878 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.558 4.300 7.617 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.386 3.219 9.706 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.662 1.631 9.019 1.00 11.22 H new ATOM 1064 N ILE A 73 27.406 0.911 8.448 1.00 64.22 N ATOM 1065 CA ILE A 73 26.608 0.339 9.525 1.00 54.32 C ATOM 1066 C ILE A 73 27.493 -0.347 10.560 1.00 14.42 C ATOM 1067 O ILE A 73 28.365 -1.145 10.215 1.00 11.03 O ATOM 1068 CB ILE A 73 25.582 -0.676 8.989 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.590 0.015 8.051 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.851 -1.349 10.140 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.442 -0.675 6.713 1.00 1.34 C ATOM 0 H ILE A 73 27.960 0.232 7.927 1.00 64.22 H new ATOM 0 HA ILE A 73 26.076 1.165 9.996 1.00 54.32 H new ATOM 0 HB ILE A 73 26.113 -1.443 8.424 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.615 0.061 8.537 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.913 1.043 7.887 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.129 -2.064 9.744 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.570 -1.871 10.772 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.329 -0.595 10.730 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.724 -0.130 6.100 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.407 -0.698 6.207 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.089 -1.695 6.867 1.00 1.34 H new ATOM 1083 N ASP A 74 27.261 -0.034 11.830 1.00 44.44 N ATOM 1084 CA ASP A 74 28.035 -0.624 12.917 1.00 10.11 C ATOM 1085 C ASP A 74 27.301 -1.816 13.521 1.00 13.42 C ATOM 1086 O ASP A 74 26.489 -1.663 14.434 1.00 64.24 O ATOM 1087 CB ASP A 74 28.313 0.421 13.998 1.00 20.22 C ATOM 1088 CG ASP A 74 29.791 0.729 14.141 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.507 0.678 13.120 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.229 1.020 15.273 1.00 62.12 O1- ATOM 0 H ASP A 74 26.543 0.625 12.133 1.00 44.44 H new ATOM 0 HA ASP A 74 28.983 -0.973 12.508 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.775 1.339 13.759 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.925 0.064 14.952 1.00 20.22 H new ATOM 1095 N THR A 75 27.593 -3.007 13.005 1.00 2.21 N ATOM 1096 CA THR A 75 26.960 -4.227 13.492 1.00 43.11 C ATOM 1097 C THR A 75 27.702 -4.787 14.700 1.00 52.03 C ATOM 1098 O THR A 75 27.117 -5.476 15.536 1.00 42.55 O ATOM 1099 CB THR A 75 26.901 -5.306 12.394 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.198 -5.881 12.202 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.403 -4.717 11.083 1.00 71.34 C ATOM 0 H THR A 75 28.264 -3.152 12.250 1.00 2.21 H new ATOM 0 HA THR A 75 25.944 -3.961 13.785 1.00 43.11 H new ATOM 0 HB THR A 75 26.204 -6.081 12.714 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.152 -6.567 11.504 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.370 -5.497 10.323 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.403 -4.306 11.225 1.00 71.34 H new ATOM 0 HG23 THR A 75 27.078 -3.925 10.760 1.00 71.34 H new ATOM 1109 N LYS A 76 28.994 -4.486 14.786 1.00 11.51 N ATOM 1110 CA LYS A 76 29.816 -4.958 15.893 1.00 2.32 C ATOM 1111 C LYS A 76 29.169 -4.624 17.234 1.00 63.31 C ATOM 1112 O LYS A 76 29.202 -5.426 18.167 1.00 10.13 O ATOM 1113 CB LYS A 76 31.212 -4.333 15.821 1.00 70.33 C ATOM 1114 CG LYS A 76 31.202 -2.815 15.861 1.00 30.31 C ATOM 1115 CD LYS A 76 31.453 -2.293 17.266 1.00 0.13 C ATOM 1116 CE LYS A 76 32.937 -2.298 17.605 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.258 -1.340 18.699 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.493 -3.917 14.102 1.00 11.51 H new ATOM 0 HA LYS A 76 29.903 -6.041 15.811 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.811 -4.706 16.652 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.701 -4.661 14.903 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.965 -2.427 15.186 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.241 -2.447 15.501 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.062 -1.279 17.354 1.00 0.13 H new ATOM 0 HD3 LYS A 76 30.912 -2.907 17.986 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.239 -3.303 17.902 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.514 -2.041 16.716 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.278 -1.373 18.901 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.994 -0.378 18.406 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 32.727 -1.600 19.555 1.00 64.52 H new ATOM 1131 N SER A 77 28.578 -3.436 17.321 1.00 12.32 N ATOM 1132 CA SER A 77 27.925 -2.996 18.548 1.00 40.54 C ATOM 1133 C SER A 77 26.463 -3.435 18.572 1.00 72.24 C ATOM 1134 O SER A 77 25.809 -3.396 19.615 1.00 3.31 O ATOM 1135 CB SER A 77 28.014 -1.475 18.681 1.00 24.54 C ATOM 1136 OG SER A 77 27.731 -0.837 17.448 1.00 62.42 O ATOM 0 H SER A 77 28.538 -2.762 16.557 1.00 12.32 H new ATOM 0 HA SER A 77 28.440 -3.458 19.390 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.312 -1.132 19.441 1.00 24.54 H new ATOM 0 HB3 SER A 77 29.012 -1.194 19.019 1.00 24.54 H new ATOM 0 HG SER A 77 27.793 0.135 17.561 1.00 62.42 H new ATOM 1142 N TYR A 78 25.958 -3.852 17.416 1.00 33.14 N ATOM 1143 CA TYR A 78 24.574 -4.296 17.303 1.00 43.04 C ATOM 1144 C TYR A 78 24.417 -5.726 17.810 1.00 22.45 C ATOM 1145 O TYR A 78 23.376 -6.092 18.356 1.00 1.02 O ATOM 1146 CB TYR A 78 24.104 -4.203 15.850 1.00 4.32 C ATOM 1147 CG TYR A 78 22.726 -4.781 15.622 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.656 -4.417 16.430 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.493 -5.691 14.597 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.394 -4.942 16.226 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.234 -6.219 14.385 1.00 61.52 C ATOM 1152 CZ TYR A 78 20.189 -5.842 15.201 1.00 70.05 C ATOM 1153 OH TYR A 78 18.934 -6.369 14.994 1.00 34.34 O ATOM 0 H TYR A 78 26.486 -3.892 16.544 1.00 33.14 H new ATOM 0 HA TYR A 78 23.958 -3.642 17.920 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.106 -3.157 15.542 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.818 -4.724 15.212 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.813 -3.711 17.232 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.309 -5.990 13.956 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.574 -4.650 16.865 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.069 -6.924 13.584 1.00 61.52 H new ATOM 0 HH TYR A 78 18.960 -6.985 14.233 1.00 34.34 H new ATOM 1163 N TRP A 79 25.459 -6.529 17.625 1.00 42.11 N ATOM 1164 CA TRP A 79 25.438 -7.920 18.063 1.00 34.33 C ATOM 1165 C TRP A 79 25.691 -8.022 19.563 1.00 45.25 C ATOM 1166 O TRP A 79 25.213 -8.945 20.223 1.00 50.44 O ATOM 1167 CB TRP A 79 26.486 -8.733 17.300 1.00 11.24 C ATOM 1168 CG TRP A 79 26.409 -8.554 15.814 1.00 33.12 C ATOM 1169 CD1 TRP A 79 27.445 -8.281 14.967 1.00 13.21 C ATOM 1170 CD2 TRP A 79 25.234 -8.634 15.000 1.00 23.44 C ATOM 1171 NE1 TRP A 79 26.984 -8.187 13.676 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.631 -8.400 13.670 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.885 -8.882 15.267 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 24.727 -8.406 12.611 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.988 -8.888 14.215 1.00 22.15 C ATOM 1176 CH2 TRP A 79 23.412 -8.651 12.900 1.00 55.42 C ATOM 0 H TRP A 79 26.328 -6.241 17.175 1.00 42.11 H new ATOM 0 HA TRP A 79 24.449 -8.326 17.852 1.00 34.33 H new ATOM 0 HB2 TRP A 79 27.480 -8.444 17.643 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.361 -9.789 17.539 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.475 -8.157 15.268 1.00 13.21 H new ATOM 0 HE1 TRP A 79 27.557 -7.990 12.855 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.549 -9.066 16.277 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 25.052 -8.224 11.597 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 21.943 -9.079 14.410 1.00 22.15 H new ATOM 0 HH2 TRP A 79 22.687 -8.662 12.100 1.00 55.42 H new ATOM 1187 N LYS A 80 26.446 -7.068 20.098 1.00 50.41 N ATOM 1188 CA LYS A 80 26.762 -7.049 21.521 1.00 54.32 C ATOM 1189 C LYS A 80 25.549 -6.627 22.342 1.00 54.00 C ATOM 1190 O LYS A 80 25.498 -6.850 23.551 1.00 50.04 O ATOM 1191 CB LYS A 80 27.931 -6.098 21.792 1.00 61.21 C ATOM 1192 CG LYS A 80 27.523 -4.637 21.857 1.00 73.40 C ATOM 1193 CD LYS A 80 27.530 -4.118 23.286 1.00 71.12 C ATOM 1194 CE LYS A 80 28.945 -3.835 23.768 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.017 -3.745 25.252 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.851 -6.297 19.566 1.00 50.41 H new ATOM 0 HA LYS A 80 27.046 -8.058 21.818 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.405 -6.377 22.733 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.679 -6.223 21.009 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.204 -4.041 21.249 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.527 -4.517 21.430 1.00 73.40 H new ATOM 0 HD2 LYS A 80 26.935 -3.207 23.347 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.060 -4.850 23.943 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.612 -4.623 23.419 1.00 24.41 H new ATOM 0 HE3 LYS A 80 29.298 -2.901 23.330 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 29.997 -3.551 25.541 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 28.400 -2.976 25.584 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.704 -4.645 25.670 1.00 51.34 H new ATOM 1209 N ALA A 81 24.573 -6.017 21.677 1.00 25.51 N ATOM 1210 CA ALA A 81 23.357 -5.568 22.345 1.00 23.43 C ATOM 1211 C ALA A 81 22.349 -6.704 22.474 1.00 74.11 C ATOM 1212 O ALA A 81 21.743 -6.893 23.530 1.00 11.21 O ATOM 1213 CB ALA A 81 22.743 -4.397 21.591 1.00 4.11 C ATOM 0 H ALA A 81 24.601 -5.822 20.676 1.00 25.51 H new ATOM 0 HA ALA A 81 23.624 -5.240 23.350 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.836 -4.072 22.100 1.00 4.11 H new ATOM 0 HB2 ALA A 81 23.455 -3.573 21.557 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.497 -4.707 20.575 1.00 4.11 H new ATOM 1219 N LEU A 82 22.174 -7.458 21.395 1.00 72.45 N ATOM 1220 CA LEU A 82 21.237 -8.577 21.386 1.00 71.44 C ATOM 1221 C LEU A 82 21.966 -9.899 21.606 1.00 25.04 C ATOM 1222 O LEU A 82 21.373 -10.971 21.501 1.00 54.03 O ATOM 1223 CB LEU A 82 20.471 -8.617 20.063 1.00 34.13 C ATOM 1224 CG LEU A 82 19.631 -7.381 19.735 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.904 -6.886 20.976 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.507 -6.281 19.153 1.00 33.50 C ATOM 0 H LEU A 82 22.668 -7.315 20.514 1.00 72.45 H new ATOM 0 HA LEU A 82 20.530 -8.433 22.203 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.188 -8.769 19.256 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.813 -9.486 20.073 1.00 34.13 H new ATOM 0 HG LEU A 82 18.886 -7.658 18.989 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.312 -6.006 20.724 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.247 -7.671 21.350 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.632 -6.625 21.744 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.893 -5.409 18.925 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.274 -6.006 19.877 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.982 -6.639 18.239 1.00 33.50 H new ATOM 1238 N GLY A 83 23.257 -9.813 21.912 1.00 74.52 N ATOM 1239 CA GLY A 83 24.046 -11.009 22.142 1.00 61.44 C ATOM 1240 C GLY A 83 24.003 -11.967 20.969 1.00 64.05 C ATOM 1241 O GLY A 83 23.818 -13.171 21.148 1.00 12.21 O ATOM 0 H GLY A 83 23.770 -8.937 22.005 1.00 74.52 H new ATOM 0 HA2 GLY A 83 25.080 -10.726 22.338 1.00 61.44 H new ATOM 0 HA3 GLY A 83 23.680 -11.516 23.035 1.00 61.44 H new ATOM 1245 N ILE A 84 24.174 -11.433 19.764 1.00 55.22 N ATOM 1246 CA ILE A 84 24.153 -12.249 18.556 1.00 13.14 C ATOM 1247 C ILE A 84 25.554 -12.734 18.198 1.00 55.44 C ATOM 1248 O ILE A 84 26.551 -12.120 18.576 1.00 14.52 O ATOM 1249 CB ILE A 84 23.570 -11.473 17.362 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.285 -10.750 17.774 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.302 -12.414 16.197 1.00 0.21 C ATOM 1252 CD1 ILE A 84 21.183 -11.684 18.220 1.00 63.44 C ATOM 0 H ILE A 84 24.329 -10.438 19.598 1.00 55.22 H new ATOM 0 HA ILE A 84 23.515 -13.108 18.766 1.00 13.14 H new ATOM 0 HB ILE A 84 24.299 -10.728 17.042 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.512 -10.056 18.583 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.928 -10.154 16.934 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.890 -11.849 15.361 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.234 -12.888 15.890 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.589 -13.180 16.504 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.303 -11.103 18.497 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.928 -12.362 17.405 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.522 -12.262 19.080 1.00 63.44 H new ATOM 1264 N SER A 85 25.621 -13.840 17.463 1.00 21.13 N ATOM 1265 CA SER A 85 26.899 -14.409 17.054 1.00 50.52 C ATOM 1266 C SER A 85 27.794 -13.342 16.431 1.00 44.03 C ATOM 1267 O SER A 85 27.345 -12.483 15.673 1.00 31.33 O ATOM 1268 CB SER A 85 26.678 -15.549 16.058 1.00 54.22 C ATOM 1269 OG SER A 85 27.852 -15.804 15.306 1.00 53.22 O ATOM 0 H SER A 85 24.805 -14.359 17.139 1.00 21.13 H new ATOM 0 HA SER A 85 27.395 -14.802 17.942 1.00 50.52 H new ATOM 0 HB2 SER A 85 26.382 -16.451 16.593 1.00 54.22 H new ATOM 0 HB3 SER A 85 25.859 -15.294 15.385 1.00 54.22 H new ATOM 0 HG SER A 85 27.685 -16.538 14.678 1.00 53.22 H new ATOM 1365 N GLU A 92 27.494 -2.443 3.815 1.00 73.32 N ATOM 1366 CA GLU A 92 27.677 -1.040 3.461 1.00 2.25 C ATOM 1367 C GLU A 92 27.239 -0.781 2.022 1.00 25.30 C ATOM 1368 O GLU A 92 26.990 -1.715 1.260 1.00 13.50 O ATOM 1369 CB GLU A 92 29.140 -0.632 3.643 1.00 43.31 C ATOM 1370 CG GLU A 92 30.127 -1.625 3.051 1.00 22.11 C ATOM 1371 CD GLU A 92 31.306 -0.945 2.382 1.00 21.31 C ATOM 1372 OE1 GLU A 92 31.603 0.215 2.737 1.00 61.05 O ATOM 1373 OE2 GLU A 92 31.932 -1.575 1.504 1.00 32.20 O1- ATOM 0 HA GLU A 92 27.055 -0.439 4.125 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.297 0.343 3.181 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.347 -0.517 4.707 1.00 43.31 H new ATOM 0 HG2 GLU A 92 30.491 -2.284 3.839 1.00 22.11 H new ATOM 0 HG3 GLU A 92 29.613 -2.253 2.323 1.00 22.11 H new ATOM 1380 N VAL A 93 27.150 0.494 1.658 1.00 70.21 N ATOM 1381 CA VAL A 93 26.744 0.878 0.311 1.00 61.32 C ATOM 1382 C VAL A 93 27.548 2.074 -0.185 1.00 43.24 C ATOM 1383 O VAL A 93 27.437 3.177 0.353 1.00 3.54 O ATOM 1384 CB VAL A 93 25.244 1.223 0.254 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.852 1.671 -1.146 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.406 0.032 0.696 1.00 41.15 C ATOM 0 H VAL A 93 27.354 1.279 2.277 1.00 70.21 H new ATOM 0 HA VAL A 93 26.937 0.021 -0.334 1.00 61.32 H new ATOM 0 HB VAL A 93 25.052 2.048 0.941 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.789 1.910 -1.167 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.429 2.555 -1.420 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.057 0.869 -1.855 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.349 0.294 0.650 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.600 -0.814 0.037 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.668 -0.238 1.719 1.00 41.15 H new ATOM 1396 N VAL A 94 28.358 1.850 -1.214 1.00 55.22 N ATOM 1397 CA VAL A 94 29.181 2.910 -1.785 1.00 54.44 C ATOM 1398 C VAL A 94 29.010 2.983 -3.299 1.00 72.33 C ATOM 1399 O VAL A 94 29.471 2.105 -4.029 1.00 31.22 O ATOM 1400 CB VAL A 94 30.671 2.702 -1.457 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.506 3.844 -2.018 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.873 2.573 0.045 1.00 32.44 C ATOM 0 H VAL A 94 28.462 0.944 -1.670 1.00 55.22 H new ATOM 0 HA VAL A 94 28.846 3.846 -1.339 1.00 54.44 H new ATOM 0 HB VAL A 94 31.002 1.776 -1.927 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.556 3.680 -1.776 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.385 3.886 -3.100 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.176 4.786 -1.580 1.00 44.32 H new ATOM 0 HG21 VAL A 94 31.932 2.427 0.258 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.526 3.481 0.538 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.307 1.719 0.416 1.00 32.44 H new ATOM 1412 N PHE A 95 28.347 4.036 -3.763 1.00 74.21 N ATOM 1413 CA PHE A 95 28.114 4.225 -5.190 1.00 3.42 C ATOM 1414 C PHE A 95 28.513 5.632 -5.626 1.00 14.12 C ATOM 1415 O PHE A 95 28.394 6.589 -4.860 1.00 41.52 O ATOM 1416 CB PHE A 95 26.644 3.972 -5.528 1.00 1.11 C ATOM 1417 CG PHE A 95 26.280 2.515 -5.571 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.000 1.823 -4.404 1.00 44.02 C ATOM 1419 CD2 PHE A 95 26.218 1.839 -6.778 1.00 70.40 C ATOM 1420 CE1 PHE A 95 25.665 0.483 -4.440 1.00 24.42 C ATOM 1421 CE2 PHE A 95 25.883 0.498 -6.820 1.00 25.12 C ATOM 1422 CZ PHE A 95 25.607 -0.180 -5.650 1.00 43.33 C ATOM 0 H PHE A 95 27.961 4.772 -3.172 1.00 74.21 H new ATOM 0 HA PHE A 95 28.732 3.508 -5.730 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.018 4.473 -4.789 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.419 4.423 -6.494 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.044 2.337 -3.455 1.00 44.02 H new ATOM 0 HD2 PHE A 95 26.434 2.365 -7.696 1.00 70.40 H new ATOM 0 HE1 PHE A 95 25.449 -0.045 -3.523 1.00 24.42 H new ATOM 0 HE2 PHE A 95 25.837 -0.018 -7.768 1.00 25.12 H new ATOM 0 HZ PHE A 95 25.346 -1.228 -5.681 1.00 43.33 H new ATOM 1432 N THR A 96 28.989 5.751 -6.861 1.00 44.40 N ATOM 1433 CA THR A 96 29.408 7.039 -7.398 1.00 34.31 C ATOM 1434 C THR A 96 28.615 7.396 -8.650 1.00 25.23 C ATOM 1435 O THR A 96 28.253 6.522 -9.438 1.00 11.30 O ATOM 1436 CB THR A 96 30.910 7.046 -7.737 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.253 8.255 -8.423 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.276 5.846 -8.599 1.00 41.12 C ATOM 0 H THR A 96 29.094 4.970 -7.509 1.00 44.40 H new ATOM 0 HA THR A 96 29.215 7.782 -6.624 1.00 34.31 H new ATOM 0 HB THR A 96 31.470 6.988 -6.804 1.00 71.34 H new ATOM 0 HG1 THR A 96 32.210 8.252 -8.633 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.342 5.872 -8.826 1.00 41.12 H new ATOM 0 HG22 THR A 96 31.042 4.927 -8.062 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.707 5.878 -9.528 1.00 41.12 H new ATOM 1446 N ALA A 97 28.349 8.686 -8.829 1.00 2.00 N ATOM 1447 CA ALA A 97 27.601 9.159 -9.988 1.00 54.14 C ATOM 1448 C ALA A 97 28.498 9.257 -11.218 1.00 75.12 C ATOM 1449 O ALA A 97 29.720 9.337 -11.101 1.00 3.52 O ATOM 1450 CB ALA A 97 26.962 10.507 -9.690 1.00 3.33 C ATOM 0 H ALA A 97 28.640 9.422 -8.186 1.00 2.00 H new ATOM 0 HA ALA A 97 26.814 8.436 -10.201 1.00 54.14 H new ATOM 0 HB1 ALA A 97 26.407 10.848 -10.564 1.00 3.33 H new ATOM 0 HB2 ALA A 97 26.282 10.408 -8.844 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.739 11.232 -9.448 1.00 3.33 H new ATOM 1562 N TYR A 105 17.046 4.493 -4.596 1.00 3.31 N ATOM 1563 CA TYR A 105 17.707 5.481 -3.751 1.00 51.11 C ATOM 1564 C TYR A 105 17.665 5.059 -2.286 1.00 4.42 C ATOM 1565 O TYR A 105 17.717 5.897 -1.384 1.00 2.22 O ATOM 1566 CB TYR A 105 17.045 6.850 -3.919 1.00 3.13 C ATOM 1567 CG TYR A 105 16.925 7.292 -5.361 1.00 74.50 C ATOM 1568 CD1 TYR A 105 18.025 7.784 -6.051 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.710 7.217 -6.031 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.919 8.189 -7.367 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.595 7.618 -7.348 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.702 8.105 -8.011 1.00 33.34 C ATOM 1573 OH TYR A 105 16.592 8.506 -9.323 1.00 22.10 O ATOM 0 HA TYR A 105 18.750 5.549 -4.061 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.051 6.821 -3.473 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.621 7.593 -3.367 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.979 7.851 -5.550 1.00 22.34 H new ATOM 0 HD2 TYR A 105 14.841 6.839 -5.513 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.784 8.570 -7.889 1.00 51.10 H new ATOM 0 HE2 TYR A 105 14.644 7.551 -7.855 1.00 50.15 H new ATOM 0 HH TYR A 105 15.669 8.381 -9.627 1.00 22.10 H new ATOM 1583 N THR A 106 17.572 3.753 -2.055 1.00 40.24 N ATOM 1584 CA THR A 106 17.523 3.219 -0.700 1.00 32.41 C ATOM 1585 C THR A 106 18.751 2.367 -0.400 1.00 71.02 C ATOM 1586 O THR A 106 19.238 1.637 -1.265 1.00 75.23 O ATOM 1587 CB THR A 106 16.258 2.371 -0.476 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.089 3.180 -0.646 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.258 1.756 0.915 1.00 12.31 C ATOM 0 H THR A 106 17.529 3.046 -2.789 1.00 40.24 H new ATOM 0 HA THR A 106 17.503 4.074 -0.024 1.00 32.41 H new ATOM 0 HB THR A 106 16.252 1.566 -1.211 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.300 2.680 -0.350 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.354 1.161 1.050 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.133 1.117 1.030 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.286 2.548 1.663 1.00 12.31 H new ATOM 1597 N ILE A 107 19.248 2.465 0.828 1.00 54.05 N ATOM 1598 CA ILE A 107 20.419 1.702 1.242 1.00 74.20 C ATOM 1599 C ILE A 107 20.024 0.319 1.748 1.00 63.32 C ATOM 1600 O ILE A 107 19.502 0.178 2.854 1.00 31.52 O ATOM 1601 CB ILE A 107 21.209 2.434 2.343 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.724 3.777 1.824 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.362 1.570 2.831 1.00 44.24 C ATOM 1604 CD1 ILE A 107 20.716 4.898 1.944 1.00 32.11 C ATOM 0 H ILE A 107 18.858 3.066 1.554 1.00 54.05 H new ATOM 0 HA ILE A 107 21.053 1.596 0.362 1.00 74.20 H new ATOM 0 HB ILE A 107 20.542 2.623 3.184 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.625 4.049 2.374 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.011 3.667 0.778 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.911 2.101 3.609 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.971 0.636 3.236 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.031 1.353 1.999 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.150 5.820 1.557 1.00 32.11 H new ATOM 0 HD12 ILE A 107 19.824 4.648 1.370 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.447 5.035 2.991 1.00 32.11 H new ATOM 1616 N ALA A 108 20.276 -0.700 0.933 1.00 21.23 N ATOM 1617 CA ALA A 108 19.950 -2.071 1.300 1.00 2.35 C ATOM 1618 C ALA A 108 21.132 -2.753 1.980 1.00 63.45 C ATOM 1619 O ALA A 108 22.155 -3.019 1.350 1.00 51.45 O ATOM 1620 CB ALA A 108 19.519 -2.858 0.072 1.00 32.14 C ATOM 0 H ALA A 108 20.706 -0.601 0.013 1.00 21.23 H new ATOM 0 HA ALA A 108 19.123 -2.044 2.009 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.278 -3.881 0.361 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.640 -2.390 -0.370 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.330 -2.868 -0.657 1.00 32.14 H new ATOM 1626 N ALA A 109 20.985 -3.035 3.272 1.00 63.22 N ATOM 1627 CA ALA A 109 22.040 -3.687 4.037 1.00 54.44 C ATOM 1628 C ALA A 109 21.514 -4.929 4.749 1.00 42.04 C ATOM 1629 O ALA A 109 20.643 -4.838 5.613 1.00 35.23 O ATOM 1630 CB ALA A 109 22.641 -2.715 5.041 1.00 2.42 C ATOM 0 H ALA A 109 20.145 -2.822 3.810 1.00 63.22 H new ATOM 0 HA ALA A 109 22.818 -4.001 3.342 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.428 -3.215 5.606 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.062 -1.860 4.512 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.865 -2.373 5.725 1.00 2.42 H new ATOM 1636 N MET A 110 22.049 -6.088 4.379 1.00 0.21 N ATOM 1637 CA MET A 110 21.633 -7.348 4.982 1.00 34.20 C ATOM 1638 C MET A 110 22.720 -7.894 5.903 1.00 44.24 C ATOM 1639 O MET A 110 23.872 -8.049 5.496 1.00 31.10 O ATOM 1640 CB MET A 110 21.305 -8.375 3.897 1.00 34.11 C ATOM 1641 CG MET A 110 20.003 -8.089 3.165 1.00 44.03 C ATOM 1642 SD MET A 110 19.416 -9.505 2.214 1.00 11.42 S ATOM 1643 CE MET A 110 18.656 -10.487 3.505 1.00 12.22 C ATOM 0 H MET A 110 22.771 -6.180 3.665 1.00 0.21 H new ATOM 0 HA MET A 110 20.738 -7.160 5.575 1.00 34.20 H new ATOM 0 HB2 MET A 110 22.121 -8.401 3.174 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.248 -9.365 4.350 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.240 -7.800 3.888 1.00 44.03 H new ATOM 0 HG3 MET A 110 20.146 -7.241 2.496 1.00 44.03 H new ATOM 0 HE1 MET A 110 19.124 -11.471 3.537 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.789 -9.990 4.466 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.591 -10.598 3.299 1.00 12.22 H new ATOM 1653 N LEU A 111 22.346 -8.185 7.144 1.00 51.13 N ATOM 1654 CA LEU A 111 23.290 -8.715 8.123 1.00 21.14 C ATOM 1655 C LEU A 111 23.419 -10.229 7.991 1.00 54.03 C ATOM 1656 O LEU A 111 22.890 -10.980 8.811 1.00 63.05 O ATOM 1657 CB LEU A 111 22.844 -8.350 9.540 1.00 12.44 C ATOM 1658 CG LEU A 111 22.684 -6.857 9.830 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.829 -6.068 9.212 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.345 -6.353 9.311 1.00 62.42 C ATOM 0 H LEU A 111 21.397 -8.063 7.496 1.00 51.13 H new ATOM 0 HA LEU A 111 24.265 -8.268 7.930 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.892 -8.842 9.738 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.567 -8.761 10.244 1.00 12.44 H new ATOM 0 HG LEU A 111 22.710 -6.711 10.910 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.699 -5.008 9.428 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.775 -6.410 9.632 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.835 -6.220 8.133 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.249 -5.289 9.526 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.289 -6.512 8.234 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.537 -6.897 9.800 1.00 62.42 H new ATOM 1672 N SER A 112 24.126 -10.671 6.957 1.00 54.12 N ATOM 1673 CA SER A 112 24.324 -12.096 6.718 1.00 12.24 C ATOM 1674 C SER A 112 25.312 -12.683 7.721 1.00 22.43 C ATOM 1675 O SER A 112 26.102 -11.972 8.342 1.00 1.40 O ATOM 1676 CB SER A 112 24.826 -12.330 5.292 1.00 43.45 C ATOM 1677 OG SER A 112 25.906 -13.247 5.276 1.00 13.22 O ATOM 0 H SER A 112 24.572 -10.063 6.270 1.00 54.12 H new ATOM 0 HA SER A 112 23.365 -12.598 6.844 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.012 -12.711 4.675 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.142 -11.383 4.854 1.00 43.45 H new ATOM 0 HG SER A 112 26.208 -13.381 4.353 1.00 13.22 H new