USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 34:sc= 0.143 USER MOD Single : A 13 TYR OH : rot -57:sc= 0.802 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 89:sc= 0.507 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0998 USER MOD Single : A 30 SER OG : rot 75:sc= 1.3 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 38 TYR OH : rot -19:sc= 0.0125 USER MOD Single : A 39 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 60 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 64 ASN : amide:sc= 0.863 K(o=0.86,f=-0.46) USER MOD Single : A 69 GLN : amide:sc=-0.000854 X(o=-0.00085,f=-0.00085) USER MOD Single : A 74 SER OG : rot 81:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 11.780 0.859 0.861 1.00 5.11 N ATOM 159 CA SER A 12 12.296 2.023 0.172 1.00 71.14 C ATOM 160 C SER A 12 11.144 2.842 -0.397 1.00 35.44 C ATOM 161 O SER A 12 11.148 4.068 -0.321 1.00 25.14 O ATOM 162 CB SER A 12 13.286 1.597 -0.893 1.00 43.44 C ATOM 163 OG SER A 12 14.333 0.846 -0.288 1.00 1.33 O ATOM 0 HA SER A 12 12.832 2.663 0.873 1.00 71.14 H new ATOM 0 HB2 SER A 12 12.785 0.997 -1.653 1.00 43.44 H new ATOM 0 HB3 SER A 12 13.695 2.473 -1.397 1.00 43.44 H new ATOM 0 HG SER A 12 13.972 0.324 0.459 1.00 1.33 H new ATOM 169 N TYR A 13 10.143 2.143 -0.917 1.00 22.13 N ATOM 170 CA TYR A 13 8.905 2.757 -1.344 1.00 42.45 C ATOM 171 C TYR A 13 8.255 3.501 -0.159 1.00 73.14 C ATOM 172 O TYR A 13 7.885 4.671 -0.276 1.00 11.22 O ATOM 173 CB TYR A 13 7.979 1.667 -1.929 1.00 22.14 C ATOM 174 CG TYR A 13 6.501 1.984 -1.922 1.00 51.44 C ATOM 175 CD1 TYR A 13 5.971 2.997 -2.700 1.00 31.33 C ATOM 176 CD2 TYR A 13 5.633 1.250 -1.123 1.00 52.53 C ATOM 177 CE1 TYR A 13 4.622 3.267 -2.677 1.00 32.22 C ATOM 178 CE2 TYR A 13 4.286 1.515 -1.100 1.00 74.44 C ATOM 179 CZ TYR A 13 3.787 2.526 -1.877 1.00 25.13 C ATOM 180 OH TYR A 13 2.448 2.799 -1.857 1.00 71.14 O ATOM 0 H TYR A 13 10.173 1.132 -1.052 1.00 22.13 H new ATOM 0 HA TYR A 13 9.093 3.495 -2.124 1.00 42.45 H new ATOM 0 HB2 TYR A 13 8.284 1.471 -2.957 1.00 22.14 H new ATOM 0 HB3 TYR A 13 8.136 0.745 -1.369 1.00 22.14 H new ATOM 0 HD1 TYR A 13 6.623 3.582 -3.332 1.00 31.33 H new ATOM 0 HD2 TYR A 13 6.026 0.455 -0.507 1.00 52.53 H new ATOM 0 HE1 TYR A 13 4.220 4.062 -3.288 1.00 32.22 H new ATOM 0 HE2 TYR A 13 3.626 0.932 -0.475 1.00 74.44 H new ATOM 0 HH TYR A 13 2.309 3.734 -1.598 1.00 71.14 H new ATOM 190 N VAL A 14 8.168 2.822 0.974 1.00 74.53 N ATOM 191 CA VAL A 14 7.604 3.390 2.189 1.00 25.34 C ATOM 192 C VAL A 14 8.428 4.577 2.699 1.00 52.31 C ATOM 193 O VAL A 14 7.875 5.599 3.048 1.00 34.11 O ATOM 194 CB VAL A 14 7.427 2.325 3.310 1.00 60.30 C ATOM 195 CG1 VAL A 14 6.994 2.977 4.607 1.00 41.21 C ATOM 196 CG2 VAL A 14 6.396 1.286 2.898 1.00 72.04 C ATOM 0 H VAL A 14 8.487 1.859 1.077 1.00 74.53 H new ATOM 0 HA VAL A 14 6.613 3.756 1.923 1.00 25.34 H new ATOM 0 HB VAL A 14 8.389 1.837 3.463 1.00 60.30 H new ATOM 0 HG11 VAL A 14 6.876 2.214 5.376 1.00 41.21 H new ATOM 0 HG12 VAL A 14 7.749 3.697 4.922 1.00 41.21 H new ATOM 0 HG13 VAL A 14 6.044 3.490 4.457 1.00 41.21 H new ATOM 0 HG21 VAL A 14 6.284 0.549 3.693 1.00 72.04 H new ATOM 0 HG22 VAL A 14 5.438 1.775 2.719 1.00 72.04 H new ATOM 0 HG23 VAL A 14 6.725 0.789 1.986 1.00 72.04 H new ATOM 206 N ASN A 15 9.736 4.431 2.715 1.00 11.13 N ATOM 207 CA ASN A 15 10.673 5.462 3.128 1.00 12.02 C ATOM 208 C ASN A 15 10.456 6.754 2.351 1.00 11.40 C ATOM 209 O ASN A 15 10.545 7.862 2.914 1.00 73.41 O ATOM 210 CB ASN A 15 12.072 4.949 2.858 1.00 15.31 C ATOM 211 CG ASN A 15 13.139 5.855 3.364 1.00 13.42 C ATOM 212 OD1 ASN A 15 13.622 6.743 2.652 1.00 61.40 O ATOM 213 ND2 ASN A 15 13.521 5.643 4.579 1.00 32.53 N ATOM 0 H ASN A 15 10.194 3.565 2.432 1.00 11.13 H new ATOM 0 HA ASN A 15 10.525 5.680 4.186 1.00 12.02 H new ATOM 0 HB2 ASN A 15 12.188 3.969 3.321 1.00 15.31 H new ATOM 0 HB3 ASN A 15 12.200 4.812 1.784 1.00 15.31 H new ATOM 0 HD21 ASN A 15 14.253 6.221 4.992 1.00 32.53 H new ATOM 0 HD22 ASN A 15 13.091 4.897 5.126 1.00 32.53 H new ATOM 220 N LYS A 16 10.164 6.613 1.070 1.00 3.05 N ATOM 221 CA LYS A 16 9.871 7.764 0.232 1.00 23.44 C ATOM 222 C LYS A 16 8.596 8.432 0.708 1.00 50.12 C ATOM 223 O LYS A 16 8.528 9.647 0.804 1.00 44.21 O ATOM 224 CB LYS A 16 9.756 7.384 -1.243 1.00 1.44 C ATOM 225 CG LYS A 16 11.011 6.757 -1.800 1.00 52.10 C ATOM 226 CD LYS A 16 10.960 6.520 -3.296 1.00 2.43 C ATOM 227 CE LYS A 16 10.985 7.835 -4.056 1.00 73.41 C ATOM 228 NZ LYS A 16 11.125 7.631 -5.500 1.00 12.33 N ATOM 0 H LYS A 16 10.123 5.715 0.587 1.00 3.05 H new ATOM 0 HA LYS A 16 10.703 8.463 0.319 1.00 23.44 H new ATOM 0 HB2 LYS A 16 8.925 6.689 -1.368 1.00 1.44 H new ATOM 0 HB3 LYS A 16 9.516 8.275 -1.823 1.00 1.44 H new ATOM 0 HG2 LYS A 16 11.861 7.401 -1.572 1.00 52.10 H new ATOM 0 HG3 LYS A 16 11.187 5.807 -1.296 1.00 52.10 H new ATOM 0 HD2 LYS A 16 11.807 5.904 -3.599 1.00 2.43 H new ATOM 0 HD3 LYS A 16 10.056 5.966 -3.550 1.00 2.43 H new ATOM 0 HE2 LYS A 16 10.067 8.387 -3.855 1.00 73.41 H new ATOM 0 HE3 LYS A 16 11.811 8.447 -3.694 1.00 73.41 H new ATOM 0 HZ1 LYS A 16 11.019 8.542 -5.991 1.00 12.33 H new ATOM 0 HZ2 LYS A 16 12.064 7.234 -5.705 1.00 12.33 H new ATOM 0 HZ3 LYS A 16 10.391 6.972 -5.830 1.00 12.33 H new ATOM 242 N ILE A 17 7.611 7.620 1.058 1.00 63.31 N ATOM 243 CA ILE A 17 6.356 8.093 1.586 1.00 62.22 C ATOM 244 C ILE A 17 6.601 8.832 2.898 1.00 2.41 C ATOM 245 O ILE A 17 6.131 9.950 3.078 1.00 44.13 O ATOM 246 CB ILE A 17 5.403 6.919 1.876 1.00 31.35 C ATOM 247 CG1 ILE A 17 5.168 6.074 0.623 1.00 3.25 C ATOM 248 CG2 ILE A 17 4.100 7.447 2.431 1.00 34.51 C ATOM 249 CD1 ILE A 17 4.371 4.814 0.879 1.00 41.21 C ATOM 0 H ILE A 17 7.668 6.605 0.980 1.00 63.31 H new ATOM 0 HA ILE A 17 5.907 8.753 0.844 1.00 62.22 H new ATOM 0 HB ILE A 17 5.864 6.269 2.620 1.00 31.35 H new ATOM 0 HG12 ILE A 17 4.647 6.678 -0.119 1.00 3.25 H new ATOM 0 HG13 ILE A 17 6.132 5.802 0.193 1.00 3.25 H new ATOM 0 HG21 ILE A 17 3.427 6.614 2.635 1.00 34.51 H new ATOM 0 HG22 ILE A 17 4.293 7.993 3.355 1.00 34.51 H new ATOM 0 HG23 ILE A 17 3.639 8.115 1.704 1.00 34.51 H new ATOM 0 HD11 ILE A 17 4.245 4.267 -0.055 1.00 41.21 H new ATOM 0 HD12 ILE A 17 4.901 4.188 1.597 1.00 41.21 H new ATOM 0 HD13 ILE A 17 3.392 5.078 1.280 1.00 41.21 H new ATOM 261 N LYS A 18 7.367 8.189 3.793 1.00 61.23 N ATOM 262 CA LYS A 18 7.697 8.724 5.103 1.00 2.43 C ATOM 263 C LYS A 18 8.239 10.139 4.976 1.00 10.12 C ATOM 264 O LYS A 18 7.864 11.008 5.710 1.00 12.20 O ATOM 265 CB LYS A 18 8.774 7.857 5.790 1.00 3.32 C ATOM 266 CG LYS A 18 8.419 6.393 5.928 1.00 51.51 C ATOM 267 CD LYS A 18 9.358 5.642 6.815 1.00 2.14 C ATOM 268 CE LYS A 18 9.016 5.964 8.219 1.00 73.25 C ATOM 269 NZ LYS A 18 9.858 5.266 9.207 1.00 65.22 N ATOM 0 H LYS A 18 7.775 7.271 3.615 1.00 61.23 H new ATOM 0 HA LYS A 18 6.784 8.723 5.699 1.00 2.43 H new ATOM 0 HB2 LYS A 18 9.702 7.939 5.224 1.00 3.32 H new ATOM 0 HB3 LYS A 18 8.969 8.264 6.782 1.00 3.32 H new ATOM 0 HG2 LYS A 18 7.407 6.307 6.324 1.00 51.51 H new ATOM 0 HG3 LYS A 18 8.415 5.932 4.940 1.00 51.51 H new ATOM 0 HD2 LYS A 18 9.274 4.570 6.638 1.00 2.14 H new ATOM 0 HD3 LYS A 18 10.390 5.920 6.601 1.00 2.14 H new ATOM 0 HE2 LYS A 18 9.110 7.039 8.369 1.00 73.25 H new ATOM 0 HE3 LYS A 18 7.972 5.707 8.398 1.00 73.25 H new ATOM 0 HZ1 LYS A 18 9.564 5.537 10.167 1.00 65.22 H new ATOM 0 HZ2 LYS A 18 9.751 4.238 9.090 1.00 65.22 H new ATOM 0 HZ3 LYS A 18 10.854 5.529 9.062 1.00 65.22 H new ATOM 283 N THR A 19 9.131 10.311 4.033 1.00 13.24 N ATOM 284 CA THR A 19 9.799 11.534 3.719 1.00 2.24 C ATOM 285 C THR A 19 8.880 12.553 2.990 1.00 23.52 C ATOM 286 O THR A 19 8.881 13.740 3.296 1.00 21.42 O ATOM 287 CB THR A 19 10.971 11.133 2.821 1.00 13.14 C ATOM 288 OG1 THR A 19 11.939 10.356 3.541 1.00 0.31 O ATOM 289 CG2 THR A 19 11.587 12.286 2.098 1.00 4.45 C ATOM 0 H THR A 19 9.424 9.544 3.428 1.00 13.24 H new ATOM 0 HA THR A 19 10.119 12.038 4.631 1.00 2.24 H new ATOM 0 HB THR A 19 10.556 10.496 2.039 1.00 13.14 H new ATOM 0 HG1 THR A 19 11.707 9.406 3.480 1.00 0.31 H new ATOM 0 HG21 THR A 19 12.411 11.930 1.480 1.00 4.45 H new ATOM 0 HG22 THR A 19 10.838 12.761 1.465 1.00 4.45 H new ATOM 0 HG23 THR A 19 11.962 13.010 2.821 1.00 4.45 H new ATOM 297 N ARG A 20 8.139 12.097 2.034 1.00 24.22 N ATOM 298 CA ARG A 20 7.305 12.977 1.238 1.00 22.34 C ATOM 299 C ARG A 20 6.100 13.469 1.988 1.00 13.13 C ATOM 300 O ARG A 20 5.561 14.531 1.707 1.00 14.24 O ATOM 301 CB ARG A 20 6.941 12.298 -0.059 1.00 33.04 C ATOM 302 CG ARG A 20 8.082 12.332 -1.060 1.00 24.04 C ATOM 303 CD ARG A 20 8.304 13.744 -1.576 1.00 0.22 C ATOM 304 NE ARG A 20 9.359 13.814 -2.584 1.00 74.00 N ATOM 305 CZ ARG A 20 9.721 14.936 -3.219 1.00 14.41 C ATOM 306 NH1 ARG A 20 9.138 16.101 -2.912 1.00 4.34 N ATOM 307 NH2 ARG A 20 10.669 14.896 -4.146 1.00 61.03 N ATOM 0 H ARG A 20 8.085 11.112 1.773 1.00 24.22 H new ATOM 0 HA ARG A 20 7.881 13.873 1.007 1.00 22.34 H new ATOM 0 HB2 ARG A 20 6.664 11.263 0.139 1.00 33.04 H new ATOM 0 HB3 ARG A 20 6.066 12.785 -0.490 1.00 33.04 H new ATOM 0 HG2 ARG A 20 8.994 11.963 -0.591 1.00 24.04 H new ATOM 0 HG3 ARG A 20 7.861 11.666 -1.894 1.00 24.04 H new ATOM 0 HD2 ARG A 20 7.374 14.122 -2.002 1.00 0.22 H new ATOM 0 HD3 ARG A 20 8.560 14.396 -0.741 1.00 0.22 H new ATOM 0 HE ARG A 20 9.852 12.953 -2.819 1.00 74.00 H new ATOM 0 HH11 ARG A 20 8.416 16.136 -2.193 1.00 4.34 H new ATOM 0 HH12 ARG A 20 9.416 16.954 -3.397 1.00 4.34 H new ATOM 0 HH21 ARG A 20 11.122 14.011 -4.375 1.00 61.03 H new ATOM 0 HH22 ARG A 20 10.945 15.750 -4.630 1.00 61.03 H new ATOM 321 N PHE A 21 5.708 12.720 2.947 1.00 71.44 N ATOM 322 CA PHE A 21 4.604 13.060 3.777 1.00 34.15 C ATOM 323 C PHE A 21 5.132 13.132 5.196 1.00 50.20 C ATOM 324 O PHE A 21 4.443 12.850 6.160 1.00 12.43 O ATOM 325 CB PHE A 21 3.508 11.999 3.602 1.00 54.04 C ATOM 326 CG PHE A 21 3.046 11.870 2.156 1.00 1.33 C ATOM 327 CD1 PHE A 21 3.683 11.001 1.279 1.00 32.21 C ATOM 328 CD2 PHE A 21 1.989 12.619 1.681 1.00 22.31 C ATOM 329 CE1 PHE A 21 3.277 10.885 -0.027 1.00 74.15 C ATOM 330 CE2 PHE A 21 1.573 12.509 0.366 1.00 52.32 C ATOM 331 CZ PHE A 21 2.219 11.640 -0.488 1.00 75.24 C ATOM 0 H PHE A 21 6.151 11.833 3.187 1.00 71.44 H new ATOM 0 HA PHE A 21 4.157 14.020 3.517 1.00 34.15 H new ATOM 0 HB2 PHE A 21 3.881 11.035 3.948 1.00 54.04 H new ATOM 0 HB3 PHE A 21 2.655 12.255 4.231 1.00 54.04 H new ATOM 0 HD1 PHE A 21 4.513 10.406 1.631 1.00 32.21 H new ATOM 0 HD2 PHE A 21 1.479 13.301 2.345 1.00 22.31 H new ATOM 0 HE1 PHE A 21 3.785 10.203 -0.693 1.00 74.15 H new ATOM 0 HE2 PHE A 21 0.744 13.102 0.009 1.00 52.32 H new ATOM 0 HZ PHE A 21 1.897 11.551 -1.515 1.00 75.24 H new ATOM 341 N LEU A 22 6.370 13.602 5.288 1.00 43.44 N ATOM 342 CA LEU A 22 7.131 13.672 6.524 1.00 3.32 C ATOM 343 C LEU A 22 6.482 14.619 7.515 1.00 73.11 C ATOM 344 O LEU A 22 6.444 14.351 8.725 1.00 33.12 O ATOM 345 CB LEU A 22 8.573 14.114 6.195 1.00 62.00 C ATOM 346 CG LEU A 22 9.716 13.325 6.785 1.00 70.40 C ATOM 347 CD1 LEU A 22 11.045 13.899 6.333 1.00 24.32 C ATOM 348 CD2 LEU A 22 9.629 13.327 8.251 1.00 43.34 C ATOM 0 H LEU A 22 6.884 13.954 4.481 1.00 43.44 H new ATOM 0 HA LEU A 22 7.151 12.688 6.992 1.00 3.32 H new ATOM 0 HB2 LEU A 22 8.685 14.101 5.111 1.00 62.00 H new ATOM 0 HB3 LEU A 22 8.684 15.150 6.515 1.00 62.00 H new ATOM 0 HG LEU A 22 9.648 12.296 6.432 1.00 70.40 H new ATOM 0 HD11 LEU A 22 11.859 13.318 6.768 1.00 24.32 H new ATOM 0 HD12 LEU A 22 11.109 13.856 5.246 1.00 24.32 H new ATOM 0 HD13 LEU A 22 11.124 14.936 6.660 1.00 24.32 H new ATOM 0 HD21 LEU A 22 10.459 12.755 8.666 1.00 43.34 H new ATOM 0 HD22 LEU A 22 9.677 14.353 8.617 1.00 43.34 H new ATOM 0 HD23 LEU A 22 8.686 12.875 8.560 1.00 43.34 H new ATOM 360 N ASP A 23 5.951 15.706 7.013 1.00 1.44 N ATOM 361 CA ASP A 23 5.303 16.702 7.860 1.00 53.32 C ATOM 362 C ASP A 23 3.811 16.419 7.934 1.00 33.32 C ATOM 363 O ASP A 23 3.058 17.089 8.648 1.00 51.22 O ATOM 364 CB ASP A 23 5.573 18.108 7.312 1.00 11.03 C ATOM 365 CG ASP A 23 5.065 19.235 8.190 1.00 2.43 C ATOM 366 OD1 ASP A 23 5.716 19.556 9.202 1.00 11.21 O ATOM 367 OD2 ASP A 23 4.057 19.887 7.830 1.00 52.14 O ATOM 0 H ASP A 23 5.950 15.933 6.019 1.00 1.44 H new ATOM 0 HA ASP A 23 5.713 16.647 8.869 1.00 53.32 H new ATOM 0 HB2 ASP A 23 6.647 18.229 7.173 1.00 11.03 H new ATOM 0 HB3 ASP A 23 5.112 18.195 6.328 1.00 11.03 H new ATOM 372 N HIS A 24 3.394 15.383 7.234 1.00 51.34 N ATOM 373 CA HIS A 24 1.999 15.001 7.170 1.00 52.44 C ATOM 374 C HIS A 24 1.823 13.531 7.594 1.00 22.11 C ATOM 375 O HIS A 24 1.497 12.672 6.756 1.00 32.14 O ATOM 376 CB HIS A 24 1.464 15.177 5.745 1.00 34.11 C ATOM 377 CG HIS A 24 1.495 16.575 5.200 1.00 41.45 C ATOM 378 ND1 HIS A 24 2.509 17.075 4.404 1.00 21.12 N ATOM 379 CD2 HIS A 24 0.587 17.566 5.313 1.00 52.21 C ATOM 380 CE1 HIS A 24 2.193 18.322 4.064 1.00 12.21 C ATOM 381 NE2 HIS A 24 1.027 18.676 4.592 1.00 31.13 N ATOM 0 H HIS A 24 4.015 14.782 6.693 1.00 51.34 H new ATOM 0 HA HIS A 24 1.441 15.643 7.851 1.00 52.44 H new ATOM 0 HB2 HIS A 24 2.041 14.536 5.079 1.00 34.11 H new ATOM 0 HB3 HIS A 24 0.434 14.820 5.718 1.00 34.11 H new ATOM 0 HD2 HIS A 24 -0.335 17.509 5.873 1.00 52.21 H new ATOM 0 HE1 HIS A 24 2.803 18.961 3.442 1.00 12.21 H new ATOM 0 HE2 HIS A 24 0.552 19.573 4.491 1.00 31.13 H new ATOM 389 N PRO A 25 2.008 13.205 8.897 1.00 53.44 N ATOM 390 CA PRO A 25 1.953 11.820 9.380 1.00 73.51 C ATOM 391 C PRO A 25 0.570 11.212 9.208 1.00 41.52 C ATOM 392 O PRO A 25 0.425 9.999 9.103 1.00 3.50 O ATOM 393 CB PRO A 25 2.309 11.930 10.871 1.00 4.15 C ATOM 394 CG PRO A 25 2.944 13.266 11.011 1.00 12.11 C ATOM 395 CD PRO A 25 2.273 14.139 10.000 1.00 33.24 C ATOM 0 HA PRO A 25 2.629 11.171 8.823 1.00 73.51 H new ATOM 0 HB2 PRO A 25 1.421 11.846 11.497 1.00 4.15 H new ATOM 0 HB3 PRO A 25 2.989 11.135 11.175 1.00 4.15 H new ATOM 0 HG2 PRO A 25 2.811 13.660 12.019 1.00 12.11 H new ATOM 0 HG3 PRO A 25 4.017 13.211 10.830 1.00 12.11 H new ATOM 0 HD2 PRO A 25 1.354 14.578 10.389 1.00 33.24 H new ATOM 0 HD3 PRO A 25 2.913 14.964 9.688 1.00 33.24 H new ATOM 403 N GLU A 26 -0.433 12.068 9.140 1.00 42.11 N ATOM 404 CA GLU A 26 -1.801 11.652 8.974 1.00 22.12 C ATOM 405 C GLU A 26 -1.998 10.909 7.645 1.00 65.52 C ATOM 406 O GLU A 26 -2.749 9.950 7.571 1.00 4.21 O ATOM 407 CB GLU A 26 -2.718 12.864 9.058 1.00 45.33 C ATOM 408 CG GLU A 26 -2.469 13.895 7.988 1.00 71.41 C ATOM 409 CD GLU A 26 -3.355 15.097 8.122 1.00 73.32 C ATOM 410 OE1 GLU A 26 -3.016 16.018 8.871 1.00 5.11 O ATOM 411 OE2 GLU A 26 -4.415 15.137 7.481 1.00 42.12 O ATOM 0 H GLU A 26 -0.313 13.079 9.200 1.00 42.11 H new ATOM 0 HA GLU A 26 -2.054 10.958 9.776 1.00 22.12 H new ATOM 0 HB2 GLU A 26 -3.753 12.529 8.992 1.00 45.33 H new ATOM 0 HB3 GLU A 26 -2.596 13.332 10.035 1.00 45.33 H new ATOM 0 HG2 GLU A 26 -1.427 14.211 8.030 1.00 71.41 H new ATOM 0 HG3 GLU A 26 -2.625 13.441 7.009 1.00 71.41 H new ATOM 418 N ILE A 27 -1.271 11.326 6.619 1.00 65.31 N ATOM 419 CA ILE A 27 -1.388 10.726 5.308 1.00 51.11 C ATOM 420 C ILE A 27 -0.722 9.365 5.329 1.00 2.35 C ATOM 421 O ILE A 27 -1.240 8.390 4.791 1.00 52.50 O ATOM 422 CB ILE A 27 -0.747 11.634 4.245 1.00 40.24 C ATOM 423 CG1 ILE A 27 -1.387 13.022 4.363 1.00 11.03 C ATOM 424 CG2 ILE A 27 -0.955 11.052 2.830 1.00 63.35 C ATOM 425 CD1 ILE A 27 -0.841 14.031 3.411 1.00 22.42 C ATOM 0 H ILE A 27 -0.590 12.084 6.675 1.00 65.31 H new ATOM 0 HA ILE A 27 -2.440 10.606 5.051 1.00 51.11 H new ATOM 0 HB ILE A 27 0.328 11.703 4.410 1.00 40.24 H new ATOM 0 HG12 ILE A 27 -2.461 12.929 4.200 1.00 11.03 H new ATOM 0 HG13 ILE A 27 -1.249 13.388 5.381 1.00 11.03 H new ATOM 0 HG21 ILE A 27 -0.494 11.711 2.094 1.00 63.35 H new ATOM 0 HG22 ILE A 27 -0.496 10.065 2.772 1.00 63.35 H new ATOM 0 HG23 ILE A 27 -2.022 10.969 2.624 1.00 63.35 H new ATOM 0 HD11 ILE A 27 -1.348 14.984 3.561 1.00 22.42 H new ATOM 0 HD12 ILE A 27 0.227 14.156 3.587 1.00 22.42 H new ATOM 0 HD13 ILE A 27 -1.003 13.691 2.388 1.00 22.42 H new ATOM 437 N TYR A 28 0.397 9.307 6.035 1.00 44.11 N ATOM 438 CA TYR A 28 1.166 8.085 6.223 1.00 41.31 C ATOM 439 C TYR A 28 0.282 7.041 6.905 1.00 53.43 C ATOM 440 O TYR A 28 0.166 5.900 6.454 1.00 31.40 O ATOM 441 CB TYR A 28 2.360 8.392 7.132 1.00 1.05 C ATOM 442 CG TYR A 28 3.381 7.285 7.242 1.00 43.40 C ATOM 443 CD1 TYR A 28 4.257 7.024 6.205 1.00 22.41 C ATOM 444 CD2 TYR A 28 3.464 6.503 8.383 1.00 54.23 C ATOM 445 CE1 TYR A 28 5.176 6.017 6.292 1.00 41.43 C ATOM 446 CE2 TYR A 28 4.395 5.488 8.482 1.00 41.20 C ATOM 447 CZ TYR A 28 5.243 5.245 7.434 1.00 71.21 C ATOM 448 OH TYR A 28 6.185 4.245 7.533 1.00 53.41 O ATOM 0 H TYR A 28 0.803 10.119 6.500 1.00 44.11 H new ATOM 0 HA TYR A 28 1.512 7.708 5.260 1.00 41.31 H new ATOM 0 HB2 TYR A 28 2.857 9.289 6.762 1.00 1.05 H new ATOM 0 HB3 TYR A 28 1.987 8.622 8.130 1.00 1.05 H new ATOM 0 HD1 TYR A 28 4.214 7.627 5.310 1.00 22.41 H new ATOM 0 HD2 TYR A 28 2.791 6.690 9.207 1.00 54.23 H new ATOM 0 HE1 TYR A 28 5.849 5.825 5.469 1.00 41.43 H new ATOM 0 HE2 TYR A 28 4.454 4.890 9.379 1.00 41.20 H new ATOM 0 HH TYR A 28 6.098 3.798 8.401 1.00 53.41 H new ATOM 458 N ARG A 29 -0.372 7.473 7.968 1.00 20.32 N ATOM 459 CA ARG A 29 -1.232 6.621 8.766 1.00 35.01 C ATOM 460 C ARG A 29 -2.455 6.168 7.985 1.00 55.32 C ATOM 461 O ARG A 29 -2.855 5.001 8.061 1.00 12.32 O ATOM 462 CB ARG A 29 -1.643 7.345 10.021 1.00 22.01 C ATOM 463 CG ARG A 29 -0.473 7.630 10.917 1.00 40.43 C ATOM 464 CD ARG A 29 -0.813 8.682 11.916 1.00 20.13 C ATOM 465 NE ARG A 29 0.359 9.048 12.722 1.00 24.10 N ATOM 466 CZ ARG A 29 0.439 10.084 13.555 1.00 11.44 C ATOM 467 NH1 ARG A 29 -0.656 10.760 13.890 1.00 12.14 N ATOM 468 NH2 ARG A 29 1.620 10.407 14.092 1.00 61.03 N ATOM 0 H ARG A 29 -0.320 8.435 8.304 1.00 20.32 H new ATOM 0 HA ARG A 29 -0.670 5.727 9.034 1.00 35.01 H new ATOM 0 HB2 ARG A 29 -2.132 8.282 9.755 1.00 22.01 H new ATOM 0 HB3 ARG A 29 -2.376 6.746 10.562 1.00 22.01 H new ATOM 0 HG2 ARG A 29 -0.173 6.717 11.432 1.00 40.43 H new ATOM 0 HG3 ARG A 29 0.379 7.953 10.318 1.00 40.43 H new ATOM 0 HD2 ARG A 29 -1.195 9.565 11.403 1.00 20.13 H new ATOM 0 HD3 ARG A 29 -1.609 8.324 12.569 1.00 20.13 H new ATOM 0 HE ARG A 29 1.185 8.456 12.636 1.00 24.10 H new ATOM 0 HH11 ARG A 29 -1.561 10.486 13.509 1.00 12.14 H new ATOM 0 HH12 ARG A 29 -0.591 11.553 14.528 1.00 12.14 H new ATOM 0 HH21 ARG A 29 2.451 9.861 13.863 1.00 61.03 H new ATOM 0 HH22 ARG A 29 1.690 11.199 14.731 1.00 61.03 H new ATOM 482 N SER A 30 -3.022 7.081 7.203 1.00 44.14 N ATOM 483 CA SER A 30 -4.173 6.775 6.374 1.00 5.00 C ATOM 484 C SER A 30 -3.813 5.742 5.315 1.00 70.43 C ATOM 485 O SER A 30 -4.651 4.987 4.854 1.00 50.31 O ATOM 486 CB SER A 30 -4.735 8.039 5.738 1.00 5.50 C ATOM 487 OG SER A 30 -5.114 8.974 6.739 1.00 3.11 O ATOM 0 H SER A 30 -2.697 8.045 7.129 1.00 44.14 H new ATOM 0 HA SER A 30 -4.949 6.349 7.010 1.00 5.00 H new ATOM 0 HB2 SER A 30 -3.989 8.484 5.080 1.00 5.50 H new ATOM 0 HB3 SER A 30 -5.597 7.790 5.120 1.00 5.50 H new ATOM 0 HG SER A 30 -4.312 9.393 7.115 1.00 3.11 H new ATOM 493 N PHE A 31 -2.580 5.735 4.908 1.00 53.44 N ATOM 494 CA PHE A 31 -2.118 4.732 3.998 1.00 75.41 C ATOM 495 C PHE A 31 -1.941 3.392 4.701 1.00 42.15 C ATOM 496 O PHE A 31 -2.368 2.348 4.196 1.00 1.45 O ATOM 497 CB PHE A 31 -0.839 5.163 3.335 1.00 12.21 C ATOM 498 CG PHE A 31 -0.161 4.044 2.631 1.00 61.52 C ATOM 499 CD1 PHE A 31 -0.712 3.511 1.478 1.00 5.43 C ATOM 500 CD2 PHE A 31 0.993 3.492 3.144 1.00 2.15 C ATOM 501 CE1 PHE A 31 -0.126 2.453 0.842 1.00 63.33 C ATOM 502 CE2 PHE A 31 1.598 2.424 2.517 1.00 31.12 C ATOM 503 CZ PHE A 31 1.038 1.899 1.359 1.00 62.24 C ATOM 0 H PHE A 31 -1.874 6.414 5.193 1.00 53.44 H new ATOM 0 HA PHE A 31 -2.876 4.605 3.225 1.00 75.41 H new ATOM 0 HB2 PHE A 31 -1.053 5.960 2.623 1.00 12.21 H new ATOM 0 HB3 PHE A 31 -0.166 5.578 4.085 1.00 12.21 H new ATOM 0 HD1 PHE A 31 -1.619 3.938 1.075 1.00 5.43 H new ATOM 0 HD2 PHE A 31 1.427 3.900 4.045 1.00 2.15 H new ATOM 0 HE1 PHE A 31 -0.566 2.050 -0.058 1.00 63.33 H new ATOM 0 HE2 PHE A 31 2.503 1.997 2.924 1.00 31.12 H new ATOM 0 HZ PHE A 31 1.507 1.062 0.862 1.00 62.24 H new ATOM 513 N LEU A 32 -1.305 3.426 5.851 1.00 33.40 N ATOM 514 CA LEU A 32 -1.068 2.242 6.656 1.00 30.32 C ATOM 515 C LEU A 32 -2.363 1.514 6.971 1.00 61.03 C ATOM 516 O LEU A 32 -2.399 0.273 7.016 1.00 22.35 O ATOM 517 CB LEU A 32 -0.355 2.629 7.936 1.00 61.22 C ATOM 518 CG LEU A 32 1.057 3.167 7.780 1.00 4.53 C ATOM 519 CD1 LEU A 32 1.614 3.487 9.133 1.00 54.05 C ATOM 520 CD2 LEU A 32 1.958 2.174 7.040 1.00 22.44 C ATOM 0 H LEU A 32 -0.933 4.283 6.260 1.00 33.40 H new ATOM 0 HA LEU A 32 -0.440 1.560 6.083 1.00 30.32 H new ATOM 0 HB2 LEU A 32 -0.954 3.382 8.448 1.00 61.22 H new ATOM 0 HB3 LEU A 32 -0.319 1.755 8.586 1.00 61.22 H new ATOM 0 HG LEU A 32 1.022 4.075 7.178 1.00 4.53 H new ATOM 0 HD11 LEU A 32 2.628 3.874 9.027 1.00 54.05 H new ATOM 0 HD12 LEU A 32 0.988 4.237 9.616 1.00 54.05 H new ATOM 0 HD13 LEU A 32 1.632 2.583 9.742 1.00 54.05 H new ATOM 0 HD21 LEU A 32 2.960 2.592 6.947 1.00 22.44 H new ATOM 0 HD22 LEU A 32 2.005 1.239 7.599 1.00 22.44 H new ATOM 0 HD23 LEU A 32 1.551 1.983 6.047 1.00 22.44 H new ATOM 532 N GLU A 33 -3.423 2.274 7.140 1.00 71.14 N ATOM 533 CA GLU A 33 -4.716 1.719 7.431 1.00 5.44 C ATOM 534 C GLU A 33 -5.262 0.963 6.205 1.00 55.52 C ATOM 535 O GLU A 33 -5.988 -0.006 6.349 1.00 70.12 O ATOM 536 CB GLU A 33 -5.681 2.815 7.875 1.00 20.24 C ATOM 537 CG GLU A 33 -6.419 3.535 6.755 1.00 64.24 C ATOM 538 CD GLU A 33 -7.322 4.607 7.273 1.00 0.44 C ATOM 539 OE1 GLU A 33 -8.341 4.281 7.891 1.00 23.53 O ATOM 540 OE2 GLU A 33 -7.040 5.790 7.072 1.00 62.23 O ATOM 0 H GLU A 33 -3.407 3.292 7.079 1.00 71.14 H new ATOM 0 HA GLU A 33 -4.615 1.008 8.251 1.00 5.44 H new ATOM 0 HB2 GLU A 33 -6.418 2.375 8.547 1.00 20.24 H new ATOM 0 HB3 GLU A 33 -5.124 3.553 8.452 1.00 20.24 H new ATOM 0 HG2 GLU A 33 -5.695 3.973 6.068 1.00 64.24 H new ATOM 0 HG3 GLU A 33 -7.004 2.813 6.185 1.00 64.24 H new ATOM 547 N ILE A 34 -4.863 1.394 5.006 1.00 60.22 N ATOM 548 CA ILE A 34 -5.266 0.775 3.774 1.00 43.33 C ATOM 549 C ILE A 34 -4.598 -0.562 3.657 1.00 50.11 C ATOM 550 O ILE A 34 -5.215 -1.523 3.283 1.00 32.31 O ATOM 551 CB ILE A 34 -4.899 1.670 2.568 1.00 74.10 C ATOM 552 CG1 ILE A 34 -5.689 2.972 2.662 1.00 34.21 C ATOM 553 CG2 ILE A 34 -5.157 0.951 1.239 1.00 35.24 C ATOM 554 CD1 ILE A 34 -5.255 4.035 1.700 1.00 1.23 C ATOM 0 H ILE A 34 -4.243 2.194 4.879 1.00 60.22 H new ATOM 0 HA ILE A 34 -6.348 0.643 3.775 1.00 43.33 H new ATOM 0 HB ILE A 34 -3.833 1.895 2.597 1.00 74.10 H new ATOM 0 HG12 ILE A 34 -6.744 2.755 2.492 1.00 34.21 H new ATOM 0 HG13 ILE A 34 -5.603 3.361 3.676 1.00 34.21 H new ATOM 0 HG21 ILE A 34 -4.889 1.608 0.412 1.00 35.24 H new ATOM 0 HG22 ILE A 34 -4.554 0.044 1.193 1.00 35.24 H new ATOM 0 HG23 ILE A 34 -6.212 0.689 1.166 1.00 35.24 H new ATOM 0 HD11 ILE A 34 -5.871 4.924 1.838 1.00 1.23 H new ATOM 0 HD12 ILE A 34 -4.210 4.286 1.882 1.00 1.23 H new ATOM 0 HD13 ILE A 34 -5.368 3.670 0.679 1.00 1.23 H new ATOM 566 N LEU A 35 -3.341 -0.625 4.021 1.00 1.34 N ATOM 567 CA LEU A 35 -2.636 -1.889 4.006 1.00 23.23 C ATOM 568 C LEU A 35 -3.110 -2.813 5.114 1.00 55.41 C ATOM 569 O LEU A 35 -3.037 -4.022 4.989 1.00 20.42 O ATOM 570 CB LEU A 35 -1.119 -1.714 3.967 1.00 35.13 C ATOM 571 CG LEU A 35 -0.480 -1.742 2.561 1.00 74.32 C ATOM 572 CD1 LEU A 35 -0.500 -3.157 1.999 1.00 2.23 C ATOM 573 CD2 LEU A 35 -1.221 -0.815 1.606 1.00 23.35 C ATOM 0 H LEU A 35 -2.787 0.174 4.329 1.00 1.34 H new ATOM 0 HA LEU A 35 -2.890 -2.386 3.070 1.00 23.23 H new ATOM 0 HB2 LEU A 35 -0.868 -0.765 4.442 1.00 35.13 H new ATOM 0 HB3 LEU A 35 -0.665 -2.501 4.569 1.00 35.13 H new ATOM 0 HG LEU A 35 0.551 -1.400 2.658 1.00 74.32 H new ATOM 0 HD11 LEU A 35 -0.047 -3.161 1.008 1.00 2.23 H new ATOM 0 HD12 LEU A 35 0.062 -3.818 2.658 1.00 2.23 H new ATOM 0 HD13 LEU A 35 -1.530 -3.506 1.928 1.00 2.23 H new ATOM 0 HD21 LEU A 35 -0.751 -0.854 0.623 1.00 23.35 H new ATOM 0 HD22 LEU A 35 -2.260 -1.133 1.524 1.00 23.35 H new ATOM 0 HD23 LEU A 35 -1.183 0.206 1.987 1.00 23.35 H new ATOM 585 N HIS A 36 -3.604 -2.235 6.192 1.00 0.12 N ATOM 586 CA HIS A 36 -4.251 -3.006 7.249 1.00 70.00 C ATOM 587 C HIS A 36 -5.552 -3.593 6.679 1.00 43.03 C ATOM 588 O HIS A 36 -5.814 -4.782 6.788 1.00 24.21 O ATOM 589 CB HIS A 36 -4.528 -2.095 8.467 1.00 43.25 C ATOM 590 CG HIS A 36 -5.304 -2.742 9.579 1.00 13.20 C ATOM 591 ND1 HIS A 36 -6.489 -2.243 10.078 1.00 15.22 N ATOM 592 CD2 HIS A 36 -5.042 -3.865 10.290 1.00 2.42 C ATOM 593 CE1 HIS A 36 -6.901 -3.059 11.050 1.00 1.32 C ATOM 594 NE2 HIS A 36 -6.058 -4.064 11.218 1.00 51.22 N ATOM 0 H HIS A 36 -3.572 -1.230 6.364 1.00 0.12 H new ATOM 0 HA HIS A 36 -3.608 -3.818 7.588 1.00 70.00 H new ATOM 0 HB2 HIS A 36 -3.575 -1.745 8.864 1.00 43.25 H new ATOM 0 HB3 HIS A 36 -5.074 -1.215 8.127 1.00 43.25 H new ATOM 0 HD2 HIS A 36 -4.181 -4.504 10.157 1.00 2.42 H new ATOM 0 HE1 HIS A 36 -7.805 -2.917 11.624 1.00 1.32 H new ATOM 0 HE2 HIS A 36 -6.137 -4.828 11.890 1.00 51.22 H new ATOM 602 N THR A 37 -6.299 -2.730 6.031 1.00 62.34 N ATOM 603 CA THR A 37 -7.529 -3.042 5.331 1.00 1.32 C ATOM 604 C THR A 37 -7.295 -4.112 4.232 1.00 61.14 C ATOM 605 O THR A 37 -8.087 -5.035 4.055 1.00 31.12 O ATOM 606 CB THR A 37 -8.035 -1.707 4.724 1.00 33.24 C ATOM 607 OG1 THR A 37 -8.500 -0.830 5.756 1.00 14.51 O ATOM 608 CG2 THR A 37 -9.068 -1.862 3.635 1.00 4.14 C ATOM 0 H THR A 37 -6.055 -1.741 5.973 1.00 62.34 H new ATOM 0 HA THR A 37 -8.269 -3.467 6.009 1.00 1.32 H new ATOM 0 HB THR A 37 -7.171 -1.263 4.230 1.00 33.24 H new ATOM 0 HG1 THR A 37 -7.737 -0.362 6.156 1.00 14.51 H new ATOM 0 HG21 THR A 37 -9.363 -0.878 3.271 1.00 4.14 H new ATOM 0 HG22 THR A 37 -8.647 -2.442 2.814 1.00 4.14 H new ATOM 0 HG23 THR A 37 -9.942 -2.378 4.033 1.00 4.14 H new ATOM 616 N TYR A 38 -6.182 -3.993 3.551 1.00 4.41 N ATOM 617 CA TYR A 38 -5.818 -4.875 2.472 1.00 32.12 C ATOM 618 C TYR A 38 -5.491 -6.271 3.007 1.00 24.21 C ATOM 619 O TYR A 38 -5.727 -7.297 2.352 1.00 33.32 O ATOM 620 CB TYR A 38 -4.637 -4.270 1.714 1.00 4.33 C ATOM 621 CG TYR A 38 -4.328 -4.949 0.438 1.00 70.31 C ATOM 622 CD1 TYR A 38 -5.115 -4.698 -0.637 1.00 31.34 C ATOM 623 CD2 TYR A 38 -3.256 -5.816 0.298 1.00 50.01 C ATOM 624 CE1 TYR A 38 -4.869 -5.295 -1.870 1.00 15.25 C ATOM 625 CE2 TYR A 38 -2.990 -6.422 -0.915 1.00 11.54 C ATOM 626 CZ TYR A 38 -3.805 -6.157 -1.998 1.00 11.42 C ATOM 627 OH TYR A 38 -3.546 -6.755 -3.211 1.00 22.32 O ATOM 0 H TYR A 38 -5.491 -3.266 3.736 1.00 4.41 H new ATOM 0 HA TYR A 38 -6.656 -4.985 1.784 1.00 32.12 H new ATOM 0 HB2 TYR A 38 -4.848 -3.220 1.513 1.00 4.33 H new ATOM 0 HB3 TYR A 38 -3.754 -4.301 2.353 1.00 4.33 H new ATOM 0 HD1 TYR A 38 -5.950 -4.021 -0.535 1.00 31.34 H new ATOM 0 HD2 TYR A 38 -2.621 -6.020 1.147 1.00 50.01 H new ATOM 0 HE1 TYR A 38 -5.506 -5.084 -2.716 1.00 15.25 H new ATOM 0 HE2 TYR A 38 -2.153 -7.097 -1.015 1.00 11.54 H new ATOM 0 HH TYR A 38 -4.348 -6.715 -3.773 1.00 22.32 H new ATOM 637 N GLN A 39 -4.966 -6.299 4.210 1.00 71.12 N ATOM 638 CA GLN A 39 -4.635 -7.528 4.895 1.00 13.44 C ATOM 639 C GLN A 39 -5.869 -8.297 5.310 1.00 2.31 C ATOM 640 O GLN A 39 -5.802 -9.499 5.498 1.00 62.22 O ATOM 641 CB GLN A 39 -3.707 -7.281 6.064 1.00 52.31 C ATOM 642 CG GLN A 39 -2.291 -6.982 5.632 1.00 55.41 C ATOM 643 CD GLN A 39 -1.414 -6.543 6.767 1.00 41.15 C ATOM 644 OE1 GLN A 39 -0.783 -7.359 7.446 1.00 31.13 O ATOM 645 NE2 GLN A 39 -1.342 -5.260 6.970 1.00 21.33 N ATOM 0 H GLN A 39 -4.754 -5.459 4.748 1.00 71.12 H new ATOM 0 HA GLN A 39 -4.099 -8.155 4.183 1.00 13.44 H new ATOM 0 HB2 GLN A 39 -4.086 -6.446 6.654 1.00 52.31 H new ATOM 0 HB3 GLN A 39 -3.707 -8.156 6.714 1.00 52.31 H new ATOM 0 HG2 GLN A 39 -1.862 -7.872 5.171 1.00 55.41 H new ATOM 0 HG3 GLN A 39 -2.306 -6.204 4.869 1.00 55.41 H new ATOM 0 HE21 GLN A 39 -1.880 -4.620 6.386 1.00 21.33 H new ATOM 0 HE22 GLN A 39 -0.747 -4.894 7.713 1.00 21.33 H new ATOM 904 N GLU A 55 -9.361 -4.982 -5.138 1.00 2.41 N ATOM 905 CA GLU A 55 -8.029 -4.538 -5.419 1.00 64.43 C ATOM 906 C GLU A 55 -8.026 -3.246 -6.232 1.00 21.30 C ATOM 907 O GLU A 55 -7.157 -2.389 -6.063 1.00 13.43 O ATOM 908 CB GLU A 55 -7.333 -5.654 -6.123 1.00 41.33 C ATOM 909 CG GLU A 55 -5.894 -5.433 -6.300 1.00 43.21 C ATOM 910 CD GLU A 55 -5.219 -6.665 -6.777 1.00 62.23 C ATOM 911 OE1 GLU A 55 -4.809 -7.475 -5.937 1.00 24.13 O ATOM 912 OE2 GLU A 55 -5.121 -6.863 -8.002 1.00 21.42 O ATOM 0 HA GLU A 55 -7.502 -4.296 -4.496 1.00 64.43 H new ATOM 0 HB2 GLU A 55 -7.484 -6.576 -5.561 1.00 41.33 H new ATOM 0 HB3 GLU A 55 -7.793 -5.798 -7.101 1.00 41.33 H new ATOM 0 HG2 GLU A 55 -5.732 -4.626 -7.015 1.00 43.21 H new ATOM 0 HG3 GLU A 55 -5.453 -5.115 -5.355 1.00 43.21 H new ATOM 919 N GLU A 56 -9.019 -3.092 -7.062 1.00 53.34 N ATOM 920 CA GLU A 56 -9.188 -1.883 -7.828 1.00 33.32 C ATOM 921 C GLU A 56 -9.509 -0.709 -6.890 1.00 14.13 C ATOM 922 O GLU A 56 -9.038 0.417 -7.092 1.00 22.11 O ATOM 923 CB GLU A 56 -10.297 -2.074 -8.850 1.00 72.41 C ATOM 924 CG GLU A 56 -10.518 -0.885 -9.750 1.00 14.14 C ATOM 925 CD GLU A 56 -11.565 -1.150 -10.782 1.00 71.12 C ATOM 926 OE1 GLU A 56 -11.239 -1.758 -11.822 1.00 65.22 O ATOM 927 OE2 GLU A 56 -12.730 -0.759 -10.582 1.00 54.30 O ATOM 0 H GLU A 56 -9.735 -3.799 -7.229 1.00 53.34 H new ATOM 0 HA GLU A 56 -8.262 -1.657 -8.357 1.00 33.32 H new ATOM 0 HB2 GLU A 56 -10.063 -2.943 -9.465 1.00 72.41 H new ATOM 0 HB3 GLU A 56 -11.226 -2.296 -8.325 1.00 72.41 H new ATOM 0 HG2 GLU A 56 -10.812 -0.025 -9.148 1.00 14.14 H new ATOM 0 HG3 GLU A 56 -9.581 -0.624 -10.243 1.00 14.14 H new ATOM 934 N GLU A 57 -10.249 -0.989 -5.822 1.00 45.15 N ATOM 935 CA GLU A 57 -10.610 0.047 -4.887 1.00 22.53 C ATOM 936 C GLU A 57 -9.425 0.291 -3.963 1.00 25.22 C ATOM 937 O GLU A 57 -9.248 1.383 -3.424 1.00 34.12 O ATOM 938 CB GLU A 57 -11.901 -0.306 -4.124 1.00 52.32 C ATOM 939 CG GLU A 57 -11.712 -0.892 -2.751 1.00 45.21 C ATOM 940 CD GLU A 57 -13.015 -1.184 -2.078 1.00 42.41 C ATOM 941 OE1 GLU A 57 -13.721 -0.232 -1.652 1.00 44.41 O ATOM 942 OE2 GLU A 57 -13.362 -2.365 -1.934 1.00 21.53 O ATOM 0 H GLU A 57 -10.603 -1.918 -5.592 1.00 45.15 H new ATOM 0 HA GLU A 57 -10.834 0.971 -5.419 1.00 22.53 H new ATOM 0 HB2 GLU A 57 -12.505 0.597 -4.033 1.00 52.32 H new ATOM 0 HB3 GLU A 57 -12.473 -1.013 -4.724 1.00 52.32 H new ATOM 0 HG2 GLU A 57 -11.130 -1.811 -2.827 1.00 45.21 H new ATOM 0 HG3 GLU A 57 -11.136 -0.199 -2.138 1.00 45.21 H new ATOM 949 N VAL A 58 -8.583 -0.736 -3.840 1.00 15.43 N ATOM 950 CA VAL A 58 -7.370 -0.662 -3.099 1.00 61.53 C ATOM 951 C VAL A 58 -6.454 0.353 -3.731 1.00 13.22 C ATOM 952 O VAL A 58 -6.041 1.317 -3.084 1.00 31.40 O ATOM 953 CB VAL A 58 -6.665 -2.039 -3.072 1.00 22.31 C ATOM 954 CG1 VAL A 58 -5.274 -1.929 -2.548 1.00 51.20 C ATOM 955 CG2 VAL A 58 -7.443 -3.015 -2.244 1.00 31.20 C ATOM 0 H VAL A 58 -8.748 -1.647 -4.268 1.00 15.43 H new ATOM 0 HA VAL A 58 -7.604 -0.365 -2.077 1.00 61.53 H new ATOM 0 HB VAL A 58 -6.617 -2.401 -4.099 1.00 22.31 H new ATOM 0 HG11 VAL A 58 -4.808 -2.914 -2.543 1.00 51.20 H new ATOM 0 HG12 VAL A 58 -4.697 -1.258 -3.185 1.00 51.20 H new ATOM 0 HG13 VAL A 58 -5.298 -1.534 -1.533 1.00 51.20 H new ATOM 0 HG21 VAL A 58 -6.930 -3.977 -2.238 1.00 31.20 H new ATOM 0 HG22 VAL A 58 -7.526 -2.641 -1.223 1.00 31.20 H new ATOM 0 HG23 VAL A 58 -8.440 -3.138 -2.667 1.00 31.20 H new ATOM 965 N PHE A 59 -6.198 0.166 -5.020 1.00 74.41 N ATOM 966 CA PHE A 59 -5.305 1.031 -5.750 1.00 11.13 C ATOM 967 C PHE A 59 -5.838 2.458 -5.754 1.00 73.42 C ATOM 968 O PHE A 59 -5.068 3.408 -5.707 1.00 12.12 O ATOM 969 CB PHE A 59 -5.070 0.516 -7.180 1.00 70.40 C ATOM 970 CG PHE A 59 -3.973 1.261 -7.901 1.00 54.50 C ATOM 971 CD1 PHE A 59 -2.649 0.895 -7.727 1.00 1.44 C ATOM 972 CD2 PHE A 59 -4.260 2.330 -8.731 1.00 23.10 C ATOM 973 CE1 PHE A 59 -1.636 1.581 -8.361 1.00 3.41 C ATOM 974 CE2 PHE A 59 -3.251 3.020 -9.370 1.00 1.24 C ATOM 975 CZ PHE A 59 -1.937 2.645 -9.184 1.00 21.22 C ATOM 0 H PHE A 59 -6.604 -0.586 -5.577 1.00 74.41 H new ATOM 0 HA PHE A 59 -4.339 1.029 -5.246 1.00 11.13 H new ATOM 0 HB2 PHE A 59 -4.818 -0.544 -7.142 1.00 70.40 H new ATOM 0 HB3 PHE A 59 -5.996 0.603 -7.749 1.00 70.40 H new ATOM 0 HD1 PHE A 59 -2.407 0.060 -7.086 1.00 1.44 H new ATOM 0 HD2 PHE A 59 -5.287 2.628 -8.881 1.00 23.10 H new ATOM 0 HE1 PHE A 59 -0.608 1.285 -8.213 1.00 3.41 H new ATOM 0 HE2 PHE A 59 -3.490 3.853 -10.015 1.00 1.24 H new ATOM 0 HZ PHE A 59 -1.145 3.184 -9.682 1.00 21.22 H new ATOM 985 N THR A 60 -7.155 2.591 -5.747 1.00 3.43 N ATOM 986 CA THR A 60 -7.794 3.827 -5.705 1.00 44.33 C ATOM 987 C THR A 60 -7.441 4.614 -4.428 1.00 52.11 C ATOM 988 O THR A 60 -7.027 5.768 -4.518 1.00 12.34 O ATOM 989 CB THR A 60 -9.291 3.602 -5.795 1.00 43.12 C ATOM 990 OG1 THR A 60 -9.621 3.057 -7.090 1.00 65.33 O ATOM 991 CG2 THR A 60 -10.000 4.877 -5.569 1.00 30.22 C ATOM 0 H THR A 60 -7.796 1.798 -5.772 1.00 3.43 H new ATOM 0 HA THR A 60 -7.453 4.427 -6.549 1.00 44.33 H new ATOM 0 HB THR A 60 -9.602 2.892 -5.029 1.00 43.12 H new ATOM 0 HG1 THR A 60 -9.565 2.079 -7.057 1.00 65.33 H new ATOM 0 HG21 THR A 60 -11.075 4.712 -5.634 1.00 30.22 H new ATOM 0 HG22 THR A 60 -9.751 5.261 -4.580 1.00 30.22 H new ATOM 0 HG23 THR A 60 -9.697 5.601 -6.326 1.00 30.22 H new ATOM 999 N GLU A 61 -7.544 3.980 -3.256 1.00 54.54 N ATOM 1000 CA GLU A 61 -7.275 4.676 -2.020 1.00 61.34 C ATOM 1001 C GLU A 61 -5.814 5.043 -1.909 1.00 23.12 C ATOM 1002 O GLU A 61 -5.458 6.062 -1.336 1.00 72.23 O ATOM 1003 CB GLU A 61 -7.728 3.856 -0.828 1.00 21.04 C ATOM 1004 CG GLU A 61 -9.213 3.910 -0.629 1.00 75.13 C ATOM 1005 CD GLU A 61 -9.659 5.294 -0.231 1.00 42.55 C ATOM 1006 OE1 GLU A 61 -9.880 6.138 -1.104 1.00 51.33 O ATOM 1007 OE2 GLU A 61 -9.785 5.573 0.987 1.00 52.40 O ATOM 0 H GLU A 61 -7.808 3.001 -3.150 1.00 54.54 H new ATOM 0 HA GLU A 61 -7.848 5.603 -2.024 1.00 61.34 H new ATOM 0 HB2 GLU A 61 -7.420 2.819 -0.965 1.00 21.04 H new ATOM 0 HB3 GLU A 61 -7.230 4.220 0.071 1.00 21.04 H new ATOM 0 HG2 GLU A 61 -9.717 3.613 -1.549 1.00 75.13 H new ATOM 0 HG3 GLU A 61 -9.506 3.195 0.140 1.00 75.13 H new ATOM 1014 N VAL A 62 -4.982 4.222 -2.491 1.00 24.52 N ATOM 1015 CA VAL A 62 -3.559 4.451 -2.506 1.00 2.31 C ATOM 1016 C VAL A 62 -3.206 5.601 -3.482 1.00 71.22 C ATOM 1017 O VAL A 62 -2.363 6.447 -3.186 1.00 34.01 O ATOM 1018 CB VAL A 62 -2.813 3.153 -2.870 1.00 35.01 C ATOM 1019 CG1 VAL A 62 -1.329 3.333 -2.758 1.00 42.33 C ATOM 1020 CG2 VAL A 62 -3.256 2.040 -1.949 1.00 41.01 C ATOM 0 H VAL A 62 -5.272 3.370 -2.971 1.00 24.52 H new ATOM 0 HA VAL A 62 -3.238 4.753 -1.509 1.00 2.31 H new ATOM 0 HB VAL A 62 -3.052 2.899 -3.903 1.00 35.01 H new ATOM 0 HG11 VAL A 62 -0.829 2.401 -3.021 1.00 42.33 H new ATOM 0 HG12 VAL A 62 -1.006 4.122 -3.437 1.00 42.33 H new ATOM 0 HG13 VAL A 62 -1.072 3.607 -1.735 1.00 42.33 H new ATOM 0 HG21 VAL A 62 -2.728 1.122 -2.207 1.00 41.01 H new ATOM 0 HG22 VAL A 62 -3.031 2.310 -0.917 1.00 41.01 H new ATOM 0 HG23 VAL A 62 -4.329 1.884 -2.057 1.00 41.01 H new ATOM 1030 N ALA A 63 -3.885 5.643 -4.620 1.00 44.32 N ATOM 1031 CA ALA A 63 -3.706 6.729 -5.596 1.00 24.14 C ATOM 1032 C ALA A 63 -4.215 8.043 -5.011 1.00 54.14 C ATOM 1033 O ALA A 63 -3.662 9.097 -5.240 1.00 15.22 O ATOM 1034 CB ALA A 63 -4.427 6.408 -6.901 1.00 12.44 C ATOM 0 H ALA A 63 -4.569 4.939 -4.898 1.00 44.32 H new ATOM 0 HA ALA A 63 -2.643 6.829 -5.815 1.00 24.14 H new ATOM 0 HB1 ALA A 63 -4.281 7.225 -7.608 1.00 12.44 H new ATOM 0 HB2 ALA A 63 -4.024 5.487 -7.322 1.00 12.44 H new ATOM 0 HB3 ALA A 63 -5.492 6.282 -6.707 1.00 12.44 H new ATOM 1040 N ASN A 64 -5.279 7.935 -4.253 1.00 50.33 N ATOM 1041 CA ASN A 64 -5.880 9.040 -3.509 1.00 4.51 C ATOM 1042 C ASN A 64 -4.927 9.551 -2.425 1.00 40.44 C ATOM 1043 O ASN A 64 -4.801 10.762 -2.197 1.00 44.30 O ATOM 1044 CB ASN A 64 -7.206 8.526 -2.933 1.00 43.45 C ATOM 1045 CG ASN A 64 -7.797 9.265 -1.734 1.00 75.42 C ATOM 1046 OD1 ASN A 64 -7.619 10.460 -1.540 1.00 10.31 O ATOM 1047 ND2 ASN A 64 -8.514 8.533 -0.913 1.00 53.32 N ATOM 0 H ASN A 64 -5.774 7.052 -4.126 1.00 50.33 H new ATOM 0 HA ASN A 64 -6.071 9.895 -4.157 1.00 4.51 H new ATOM 0 HB2 ASN A 64 -7.946 8.540 -3.733 1.00 43.45 H new ATOM 0 HB3 ASN A 64 -7.065 7.484 -2.647 1.00 43.45 H new ATOM 0 HD21 ASN A 64 -8.939 8.958 -0.089 1.00 53.32 H new ATOM 0 HD22 ASN A 64 -8.646 7.539 -1.099 1.00 53.32 H new ATOM 1054 N LEU A 65 -4.236 8.626 -1.809 1.00 61.12 N ATOM 1055 CA LEU A 65 -3.296 8.876 -0.762 1.00 13.41 C ATOM 1056 C LEU A 65 -2.097 9.674 -1.334 1.00 62.45 C ATOM 1057 O LEU A 65 -1.802 10.785 -0.887 1.00 10.44 O ATOM 1058 CB LEU A 65 -2.807 7.514 -0.299 1.00 42.51 C ATOM 1059 CG LEU A 65 -2.398 7.293 1.122 1.00 44.44 C ATOM 1060 CD1 LEU A 65 -1.272 8.151 1.480 1.00 23.11 C ATOM 1061 CD2 LEU A 65 -3.519 7.442 2.098 1.00 42.23 C ATOM 0 H LEU A 65 -4.322 7.636 -2.039 1.00 61.12 H new ATOM 0 HA LEU A 65 -3.744 9.445 0.053 1.00 13.41 H new ATOM 0 HB2 LEU A 65 -3.597 6.797 -0.521 1.00 42.51 H new ATOM 0 HB3 LEU A 65 -1.953 7.250 -0.923 1.00 42.51 H new ATOM 0 HG LEU A 65 -2.083 6.252 1.187 1.00 44.44 H new ATOM 0 HD11 LEU A 65 -0.993 7.971 2.518 1.00 23.11 H new ATOM 0 HD12 LEU A 65 -0.424 7.927 0.833 1.00 23.11 H new ATOM 0 HD13 LEU A 65 -1.557 9.196 1.356 1.00 23.11 H new ATOM 0 HD21 LEU A 65 -3.148 7.268 3.108 1.00 42.23 H new ATOM 0 HD22 LEU A 65 -3.928 8.450 2.031 1.00 42.23 H new ATOM 0 HD23 LEU A 65 -4.300 6.717 1.868 1.00 42.23 H new ATOM 1073 N PHE A 66 -1.455 9.115 -2.351 1.00 24.11 N ATOM 1074 CA PHE A 66 -0.237 9.704 -2.918 1.00 75.25 C ATOM 1075 C PHE A 66 -0.549 10.415 -4.211 1.00 2.25 C ATOM 1076 O PHE A 66 0.241 10.362 -5.160 1.00 52.43 O ATOM 1077 CB PHE A 66 0.800 8.614 -3.206 1.00 60.35 C ATOM 1078 CG PHE A 66 0.999 7.667 -2.088 1.00 31.14 C ATOM 1079 CD1 PHE A 66 1.457 8.103 -0.875 1.00 22.51 C ATOM 1080 CD2 PHE A 66 0.711 6.334 -2.248 1.00 11.20 C ATOM 1081 CE1 PHE A 66 1.618 7.227 0.158 1.00 10.50 C ATOM 1082 CE2 PHE A 66 0.875 5.458 -1.217 1.00 24.14 C ATOM 1083 CZ PHE A 66 1.326 5.903 -0.016 1.00 71.24 C ATOM 0 H PHE A 66 -1.754 8.252 -2.805 1.00 24.11 H new ATOM 0 HA PHE A 66 0.160 10.412 -2.191 1.00 75.25 H new ATOM 0 HB2 PHE A 66 0.491 8.057 -4.091 1.00 60.35 H new ATOM 0 HB3 PHE A 66 1.753 9.086 -3.443 1.00 60.35 H new ATOM 0 HD1 PHE A 66 1.693 9.148 -0.734 1.00 22.51 H new ATOM 0 HD2 PHE A 66 0.351 5.976 -3.201 1.00 11.20 H new ATOM 0 HE1 PHE A 66 1.976 7.580 1.114 1.00 10.50 H new ATOM 0 HE2 PHE A 66 0.647 4.411 -1.355 1.00 24.14 H new ATOM 0 HZ PHE A 66 1.454 5.210 0.803 1.00 71.24 H new ATOM 1093 N ARG A 67 -1.673 11.096 -4.234 1.00 32.15 N ATOM 1094 CA ARG A 67 -2.123 11.829 -5.386 1.00 24.23 C ATOM 1095 C ARG A 67 -1.053 12.799 -5.908 1.00 24.02 C ATOM 1096 O ARG A 67 -0.662 13.763 -5.231 1.00 32.43 O ATOM 1097 CB ARG A 67 -3.445 12.538 -5.070 1.00 75.42 C ATOM 1098 CG ARG A 67 -3.411 13.397 -3.811 1.00 35.51 C ATOM 1099 CD ARG A 67 -4.760 14.015 -3.506 1.00 41.15 C ATOM 1100 NE ARG A 67 -5.218 14.942 -4.550 1.00 12.21 N ATOM 1101 CZ ARG A 67 -6.192 15.846 -4.382 1.00 34.34 C ATOM 1102 NH1 ARG A 67 -6.868 15.904 -3.242 1.00 2.22 N ATOM 1103 NH2 ARG A 67 -6.499 16.674 -5.364 1.00 34.34 N ATOM 0 H ARG A 67 -2.307 11.154 -3.437 1.00 32.15 H new ATOM 0 HA ARG A 67 -2.302 11.121 -6.195 1.00 24.23 H new ATOM 0 HB2 ARG A 67 -3.718 13.167 -5.917 1.00 75.42 H new ATOM 0 HB3 ARG A 67 -4.229 11.789 -4.963 1.00 75.42 H new ATOM 0 HG2 ARG A 67 -3.092 12.787 -2.965 1.00 35.51 H new ATOM 0 HG3 ARG A 67 -2.670 14.187 -3.932 1.00 35.51 H new ATOM 0 HD2 ARG A 67 -5.497 13.222 -3.384 1.00 41.15 H new ATOM 0 HD3 ARG A 67 -4.703 14.546 -2.556 1.00 41.15 H new ATOM 0 HE ARG A 67 -4.765 14.894 -5.462 1.00 12.21 H new ATOM 0 HH11 ARG A 67 -6.648 15.257 -2.485 1.00 2.22 H new ATOM 0 HH12 ARG A 67 -7.608 16.596 -3.123 1.00 2.22 H new ATOM 0 HH21 ARG A 67 -5.995 16.625 -6.249 1.00 34.34 H new ATOM 0 HH22 ARG A 67 -7.241 17.363 -5.237 1.00 34.34 H new ATOM 1117 N GLY A 68 -0.540 12.491 -7.078 1.00 51.25 N ATOM 1118 CA GLY A 68 0.470 13.307 -7.691 1.00 72.11 C ATOM 1119 C GLY A 68 1.820 12.617 -7.745 1.00 2.31 C ATOM 1120 O GLY A 68 2.650 12.933 -8.592 1.00 15.23 O ATOM 0 H GLY A 68 -0.812 11.673 -7.624 1.00 51.25 H new ATOM 0 HA2 GLY A 68 0.158 13.567 -8.702 1.00 72.11 H new ATOM 0 HA3 GLY A 68 0.565 14.241 -7.136 1.00 72.11 H new ATOM 1124 N GLN A 69 2.050 11.679 -6.841 1.00 24.41 N ATOM 1125 CA GLN A 69 3.307 10.961 -6.777 1.00 73.53 C ATOM 1126 C GLN A 69 3.259 9.706 -7.645 1.00 51.02 C ATOM 1127 O GLN A 69 2.998 8.605 -7.151 1.00 4.50 O ATOM 1128 CB GLN A 69 3.595 10.574 -5.342 1.00 73.10 C ATOM 1129 CG GLN A 69 3.661 11.743 -4.383 1.00 64.13 C ATOM 1130 CD GLN A 69 4.866 12.598 -4.579 1.00 25.03 C ATOM 1131 OE1 GLN A 69 5.924 12.343 -4.013 1.00 3.25 O ATOM 1132 NE2 GLN A 69 4.724 13.623 -5.336 1.00 54.10 N ATOM 0 H GLN A 69 1.371 11.396 -6.134 1.00 24.41 H new ATOM 0 HA GLN A 69 4.098 11.611 -7.151 1.00 73.53 H new ATOM 0 HB2 GLN A 69 2.823 9.884 -5.002 1.00 73.10 H new ATOM 0 HB3 GLN A 69 4.542 10.036 -5.306 1.00 73.10 H new ATOM 0 HG2 GLN A 69 2.767 12.354 -4.504 1.00 64.13 H new ATOM 0 HG3 GLN A 69 3.654 11.366 -3.360 1.00 64.13 H new ATOM 0 HE21 GLN A 69 3.828 13.802 -5.790 1.00 54.10 H new ATOM 0 HE22 GLN A 69 5.507 14.260 -5.485 1.00 54.10 H new ATOM 1141 N GLU A 70 3.505 9.873 -8.927 1.00 12.41 N ATOM 1142 CA GLU A 70 3.409 8.774 -9.885 1.00 64.00 C ATOM 1143 C GLU A 70 4.421 7.669 -9.620 1.00 31.44 C ATOM 1144 O GLU A 70 4.129 6.491 -9.852 1.00 3.40 O ATOM 1145 CB GLU A 70 3.515 9.282 -11.318 1.00 5.42 C ATOM 1146 CG GLU A 70 2.376 10.200 -11.706 1.00 52.23 C ATOM 1147 CD GLU A 70 2.474 10.716 -13.117 1.00 54.02 C ATOM 1148 OE1 GLU A 70 3.316 11.587 -13.389 1.00 70.21 O ATOM 1149 OE2 GLU A 70 1.673 10.288 -13.983 1.00 23.35 O ATOM 0 H GLU A 70 3.776 10.765 -9.340 1.00 12.41 H new ATOM 0 HA GLU A 70 2.422 8.331 -9.749 1.00 64.00 H new ATOM 0 HB2 GLU A 70 4.459 9.812 -11.441 1.00 5.42 H new ATOM 0 HB3 GLU A 70 3.536 8.431 -11.999 1.00 5.42 H new ATOM 0 HG2 GLU A 70 1.433 9.666 -11.588 1.00 52.23 H new ATOM 0 HG3 GLU A 70 2.352 11.046 -11.019 1.00 52.23 H new ATOM 1156 N ASP A 71 5.580 8.035 -9.093 1.00 44.32 N ATOM 1157 CA ASP A 71 6.636 7.053 -8.794 1.00 15.24 C ATOM 1158 C ASP A 71 6.171 6.091 -7.721 1.00 20.45 C ATOM 1159 O ASP A 71 6.245 4.879 -7.889 1.00 74.43 O ATOM 1160 CB ASP A 71 7.937 7.745 -8.367 1.00 51.04 C ATOM 1161 CG ASP A 71 9.063 6.777 -8.016 1.00 74.54 C ATOM 1162 OD1 ASP A 71 9.869 6.418 -8.912 1.00 12.03 O ATOM 1163 OD2 ASP A 71 9.202 6.406 -6.828 1.00 51.41 O ATOM 0 H ASP A 71 5.822 8.998 -8.861 1.00 44.32 H new ATOM 0 HA ASP A 71 6.841 6.492 -9.706 1.00 15.24 H new ATOM 0 HB2 ASP A 71 8.271 8.399 -9.172 1.00 51.04 H new ATOM 0 HB3 ASP A 71 7.734 8.380 -7.504 1.00 51.04 H new ATOM 1168 N LEU A 72 5.602 6.639 -6.664 1.00 52.11 N ATOM 1169 CA LEU A 72 5.128 5.843 -5.541 1.00 41.35 C ATOM 1170 C LEU A 72 3.973 4.943 -5.965 1.00 61.21 C ATOM 1171 O LEU A 72 3.884 3.791 -5.556 1.00 54.41 O ATOM 1172 CB LEU A 72 4.691 6.742 -4.381 1.00 44.31 C ATOM 1173 CG LEU A 72 5.757 7.664 -3.783 1.00 72.41 C ATOM 1174 CD1 LEU A 72 5.149 8.484 -2.661 1.00 11.23 C ATOM 1175 CD2 LEU A 72 6.959 6.863 -3.275 1.00 2.24 C ATOM 0 H LEU A 72 5.455 7.643 -6.557 1.00 52.11 H new ATOM 0 HA LEU A 72 5.954 5.217 -5.205 1.00 41.35 H new ATOM 0 HB2 LEU A 72 3.861 7.360 -4.724 1.00 44.31 H new ATOM 0 HB3 LEU A 72 4.306 6.106 -3.584 1.00 44.31 H new ATOM 0 HG LEU A 72 6.115 8.335 -4.564 1.00 72.41 H new ATOM 0 HD11 LEU A 72 5.909 9.140 -2.236 1.00 11.23 H new ATOM 0 HD12 LEU A 72 4.329 9.085 -3.053 1.00 11.23 H new ATOM 0 HD13 LEU A 72 4.771 7.817 -1.886 1.00 11.23 H new ATOM 0 HD21 LEU A 72 7.699 7.544 -2.856 1.00 2.24 H new ATOM 0 HD22 LEU A 72 6.632 6.165 -2.505 1.00 2.24 H new ATOM 0 HD23 LEU A 72 7.403 6.309 -4.102 1.00 2.24 H new ATOM 1187 N LEU A 73 3.129 5.454 -6.829 1.00 5.12 N ATOM 1188 CA LEU A 73 1.964 4.707 -7.283 1.00 73.12 C ATOM 1189 C LEU A 73 2.410 3.559 -8.169 1.00 22.20 C ATOM 1190 O LEU A 73 1.865 2.451 -8.114 1.00 1.50 O ATOM 1191 CB LEU A 73 1.001 5.641 -8.024 1.00 42.44 C ATOM 1192 CG LEU A 73 0.533 6.866 -7.223 1.00 63.51 C ATOM 1193 CD1 LEU A 73 -0.389 7.750 -8.023 1.00 21.12 C ATOM 1194 CD2 LEU A 73 -0.112 6.461 -5.917 1.00 4.14 C ATOM 0 H LEU A 73 3.221 6.385 -7.236 1.00 5.12 H new ATOM 0 HA LEU A 73 1.435 4.292 -6.425 1.00 73.12 H new ATOM 0 HB2 LEU A 73 1.486 5.987 -8.937 1.00 42.44 H new ATOM 0 HB3 LEU A 73 0.125 5.068 -8.326 1.00 42.44 H new ATOM 0 HG LEU A 73 1.426 7.448 -6.994 1.00 63.51 H new ATOM 0 HD11 LEU A 73 -0.693 8.602 -7.416 1.00 21.12 H new ATOM 0 HD12 LEU A 73 0.130 8.106 -8.913 1.00 21.12 H new ATOM 0 HD13 LEU A 73 -1.271 7.182 -8.319 1.00 21.12 H new ATOM 0 HD21 LEU A 73 -0.431 7.352 -5.377 1.00 4.14 H new ATOM 0 HD22 LEU A 73 -0.978 5.830 -6.119 1.00 4.14 H new ATOM 0 HD23 LEU A 73 0.607 5.908 -5.312 1.00 4.14 H new ATOM 1206 N SER A 74 3.445 3.806 -8.926 1.00 2.43 N ATOM 1207 CA SER A 74 4.000 2.812 -9.786 1.00 52.01 C ATOM 1208 C SER A 74 4.783 1.761 -8.977 1.00 63.33 C ATOM 1209 O SER A 74 4.747 0.577 -9.304 1.00 12.41 O ATOM 1210 CB SER A 74 4.861 3.479 -10.843 1.00 13.13 C ATOM 1211 OG SER A 74 4.084 4.425 -11.571 1.00 30.10 O ATOM 0 H SER A 74 3.924 4.706 -8.959 1.00 2.43 H new ATOM 0 HA SER A 74 3.195 2.280 -10.292 1.00 52.01 H new ATOM 0 HB2 SER A 74 5.710 3.976 -10.373 1.00 13.13 H new ATOM 0 HB3 SER A 74 5.267 2.729 -11.522 1.00 13.13 H new ATOM 0 HG SER A 74 4.022 5.260 -11.061 1.00 30.10 H new ATOM 1217 N GLU A 75 5.475 2.185 -7.917 1.00 20.10 N ATOM 1218 CA GLU A 75 6.191 1.241 -7.049 1.00 31.30 C ATOM 1219 C GLU A 75 5.221 0.393 -6.257 1.00 3.23 C ATOM 1220 O GLU A 75 5.489 -0.774 -5.969 1.00 5.35 O ATOM 1221 CB GLU A 75 7.178 1.943 -6.129 1.00 12.32 C ATOM 1222 CG GLU A 75 8.344 2.562 -6.863 1.00 41.20 C ATOM 1223 CD GLU A 75 9.110 1.546 -7.679 1.00 1.53 C ATOM 1224 OE1 GLU A 75 10.036 0.901 -7.139 1.00 41.31 O ATOM 1225 OE2 GLU A 75 8.789 1.365 -8.872 1.00 50.32 O ATOM 0 H GLU A 75 5.556 3.163 -7.639 1.00 20.10 H new ATOM 0 HA GLU A 75 6.771 0.585 -7.698 1.00 31.30 H new ATOM 0 HB2 GLU A 75 6.655 2.720 -5.572 1.00 12.32 H new ATOM 0 HB3 GLU A 75 7.556 1.227 -5.399 1.00 12.32 H new ATOM 0 HG2 GLU A 75 7.980 3.352 -7.519 1.00 41.20 H new ATOM 0 HG3 GLU A 75 9.017 3.030 -6.144 1.00 41.20 H new ATOM 1232 N PHE A 76 4.088 0.976 -5.928 1.00 52.42 N ATOM 1233 CA PHE A 76 3.028 0.258 -5.272 1.00 52.51 C ATOM 1234 C PHE A 76 2.536 -0.858 -6.194 1.00 22.44 C ATOM 1235 O PHE A 76 2.404 -2.002 -5.783 1.00 2.13 O ATOM 1236 CB PHE A 76 1.886 1.215 -4.911 1.00 30.41 C ATOM 1237 CG PHE A 76 0.747 0.561 -4.194 1.00 10.14 C ATOM 1238 CD1 PHE A 76 0.879 0.179 -2.875 1.00 4.31 C ATOM 1239 CD2 PHE A 76 -0.449 0.319 -4.844 1.00 44.12 C ATOM 1240 CE1 PHE A 76 -0.155 -0.432 -2.210 1.00 32.54 C ATOM 1241 CE2 PHE A 76 -1.496 -0.299 -4.185 1.00 24.02 C ATOM 1242 CZ PHE A 76 -1.347 -0.674 -2.861 1.00 63.11 C ATOM 0 H PHE A 76 3.881 1.958 -6.109 1.00 52.42 H new ATOM 0 HA PHE A 76 3.398 -0.184 -4.347 1.00 52.51 H new ATOM 0 HB2 PHE A 76 2.281 2.017 -4.288 1.00 30.41 H new ATOM 0 HB3 PHE A 76 1.510 1.676 -5.824 1.00 30.41 H new ATOM 0 HD1 PHE A 76 1.809 0.363 -2.358 1.00 4.31 H new ATOM 0 HD2 PHE A 76 -0.567 0.615 -5.876 1.00 44.12 H new ATOM 0 HE1 PHE A 76 -0.035 -0.723 -1.177 1.00 32.54 H new ATOM 0 HE2 PHE A 76 -2.426 -0.488 -4.701 1.00 24.02 H new ATOM 0 HZ PHE A 76 -2.161 -1.155 -2.339 1.00 63.11 H new