USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 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 44 THR OG1 : rot 138:sc= 0.169 USER MOD Set 1.2: A 45 GLN : amide:sc= -1.48 K(o=-1.3,f=-4.9) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0459 F(o=-0.56,f=-0.046) USER MOD Single : A 24 SER OG : rot 92:sc= 1.02 USER MOD Single : A 27 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.13) USER MOD Single : A 31 SER OG : rot 90:sc= 0.843 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -1.69! (180deg=-2.32!) USER MOD Single : A 42 SER OG : rot 81:sc= 1 USER MOD Single : A 47 LYS NZ :NH3+ -126:sc= 0.235 (180deg=-2.49!) USER MOD Single : A 49 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 50 SER OG : rot -113:sc= -0.026 USER MOD Single : A 51 THR OG1 : rot 92:sc= -0.479! USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0.826 (180deg=0.401) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.147 F(o=-1.6!,f=-0.15) USER MOD Single : A 71 ASN : amide:sc= -2.11! X(o=-2.1!,f=-2.3) USER MOD Single : A 74 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -0.719 4.469 -12.775 1.00 2.41 N ATOM 145 CA LYS A 11 -0.808 2.980 -12.742 1.00 2.27 C ATOM 146 C LYS A 11 -1.780 2.560 -11.629 1.00 1.89 C ATOM 147 O LYS A 11 -1.883 3.242 -10.623 1.00 1.83 O ATOM 148 CB LYS A 11 0.592 2.412 -12.437 1.00 2.33 C ATOM 149 CG LYS A 11 1.678 3.099 -13.297 1.00 2.88 C ATOM 150 CD LYS A 11 1.535 2.731 -14.784 1.00 3.07 C ATOM 151 CE LYS A 11 2.458 1.554 -15.127 1.00 3.41 C ATOM 152 NZ LYS A 11 2.378 1.251 -16.583 1.00 4.26 N ATOM 0 HA LYS A 11 -1.165 2.601 -13.700 1.00 2.27 H new ATOM 0 HB2 LYS A 11 0.821 2.551 -11.380 1.00 2.33 H new ATOM 0 HB3 LYS A 11 0.600 1.339 -12.627 1.00 2.33 H new ATOM 0 HG2 LYS A 11 1.606 4.180 -13.180 1.00 2.88 H new ATOM 0 HG3 LYS A 11 2.665 2.805 -12.941 1.00 2.88 H new ATOM 0 HD2 LYS A 11 0.500 2.468 -15.004 1.00 3.07 H new ATOM 0 HD3 LYS A 11 1.784 3.591 -15.405 1.00 3.07 H new ATOM 0 HE2 LYS A 11 3.485 1.795 -14.853 1.00 3.41 H new ATOM 0 HE3 LYS A 11 2.172 0.676 -14.548 1.00 3.41 H new ATOM 0 HZ1 LYS A 11 3.006 0.453 -16.806 1.00 4.26 H new ATOM 0 HZ2 LYS A 11 1.400 1.002 -16.833 1.00 4.26 H new ATOM 0 HZ3 LYS A 11 2.672 2.086 -17.128 1.00 4.26 H new ATOM 166 N VAL A 12 -2.461 1.456 -11.810 1.00 1.79 N ATOM 167 CA VAL A 12 -3.414 1.003 -10.750 1.00 1.59 C ATOM 168 C VAL A 12 -3.076 -0.437 -10.366 1.00 1.62 C ATOM 169 O VAL A 12 -3.132 -1.322 -11.200 1.00 2.12 O ATOM 170 CB VAL A 12 -4.856 1.088 -11.282 1.00 1.78 C ATOM 171 CG1 VAL A 12 -5.844 0.601 -10.209 1.00 2.01 C ATOM 172 CG2 VAL A 12 -5.183 2.548 -11.627 1.00 2.66 C ATOM 0 H VAL A 12 -2.401 0.856 -12.633 1.00 1.79 H new ATOM 0 HA VAL A 12 -3.328 1.642 -9.871 1.00 1.59 H new ATOM 0 HB VAL A 12 -4.944 0.461 -12.169 1.00 1.78 H new ATOM 0 HG11 VAL A 12 -6.861 0.665 -10.595 1.00 2.01 H new ATOM 0 HG12 VAL A 12 -5.619 -0.433 -9.950 1.00 2.01 H new ATOM 0 HG13 VAL A 12 -5.753 1.226 -9.320 1.00 2.01 H new ATOM 0 HG21 VAL A 12 -6.204 2.613 -12.004 1.00 2.66 H new ATOM 0 HG22 VAL A 12 -5.087 3.164 -10.733 1.00 2.66 H new ATOM 0 HG23 VAL A 12 -4.491 2.905 -12.389 1.00 2.66 H new ATOM 182 N PHE A 13 -2.722 -0.639 -9.122 1.00 1.50 N ATOM 183 CA PHE A 13 -2.380 -2.019 -8.670 1.00 1.72 C ATOM 184 C PHE A 13 -3.113 -2.303 -7.352 1.00 1.32 C ATOM 185 O PHE A 13 -3.743 -1.421 -6.793 1.00 1.29 O ATOM 186 CB PHE A 13 -0.863 -2.165 -8.418 1.00 2.39 C ATOM 187 CG PHE A 13 -0.004 -1.127 -9.170 1.00 1.91 C ATOM 188 CD1 PHE A 13 0.125 0.157 -8.672 1.00 1.55 C ATOM 189 CD2 PHE A 13 0.777 -1.503 -10.251 1.00 2.56 C ATOM 190 CE1 PHE A 13 1.036 1.036 -9.226 1.00 1.55 C ATOM 191 CE2 PHE A 13 1.690 -0.621 -10.802 1.00 2.36 C ATOM 192 CZ PHE A 13 1.823 0.645 -10.282 1.00 1.63 C ATOM 0 H PHE A 13 -2.656 0.085 -8.407 1.00 1.50 H new ATOM 0 HA PHE A 13 -2.679 -2.719 -9.450 1.00 1.72 H new ATOM 0 HB2 PHE A 13 -0.671 -2.075 -7.349 1.00 2.39 H new ATOM 0 HB3 PHE A 13 -0.549 -3.166 -8.715 1.00 2.39 H new ATOM 0 HD1 PHE A 13 -0.491 0.475 -7.844 1.00 1.55 H new ATOM 0 HD2 PHE A 13 0.672 -2.494 -10.668 1.00 2.56 H new ATOM 0 HE1 PHE A 13 1.130 2.035 -8.827 1.00 1.55 H new ATOM 0 HE2 PHE A 13 2.298 -0.927 -11.640 1.00 2.36 H new ATOM 0 HZ PHE A 13 2.544 1.330 -10.703 1.00 1.63 H new ATOM 202 N ARG A 14 -3.003 -3.519 -6.877 1.00 1.22 N ATOM 203 CA ARG A 14 -3.659 -3.898 -5.582 1.00 1.01 C ATOM 204 C ARG A 14 -2.557 -4.320 -4.590 1.00 0.92 C ATOM 205 O ARG A 14 -1.426 -4.548 -4.993 1.00 1.11 O ATOM 206 CB ARG A 14 -4.643 -5.069 -5.831 1.00 1.14 C ATOM 207 CG ARG A 14 -6.066 -4.526 -6.094 1.00 1.83 C ATOM 208 CD ARG A 14 -7.000 -5.657 -6.579 1.00 1.85 C ATOM 209 NE ARG A 14 -8.417 -5.267 -6.268 1.00 3.04 N ATOM 210 CZ ARG A 14 -9.323 -5.130 -7.197 1.00 4.24 C ATOM 211 NH1 ARG A 14 -9.437 -6.035 -8.114 1.00 4.85 N ATOM 212 NH2 ARG A 14 -10.075 -4.073 -7.131 1.00 5.54 N ATOM 0 H ARG A 14 -2.485 -4.271 -7.331 1.00 1.22 H new ATOM 0 HA ARG A 14 -4.218 -3.058 -5.171 1.00 1.01 H new ATOM 0 HB2 ARG A 14 -4.308 -5.659 -6.684 1.00 1.14 H new ATOM 0 HB3 ARG A 14 -4.654 -5.734 -4.967 1.00 1.14 H new ATOM 0 HG2 ARG A 14 -6.466 -4.083 -5.182 1.00 1.83 H new ATOM 0 HG3 ARG A 14 -6.026 -3.734 -6.842 1.00 1.83 H new ATOM 0 HD2 ARG A 14 -6.877 -5.817 -7.650 1.00 1.85 H new ATOM 0 HD3 ARG A 14 -6.748 -6.595 -6.085 1.00 1.85 H new ATOM 0 HE ARG A 14 -8.680 -5.103 -5.296 1.00 3.04 H new ATOM 0 HH11 ARG A 14 -8.821 -6.848 -8.107 1.00 4.85 H new ATOM 0 HH12 ARG A 14 -10.143 -5.936 -8.844 1.00 4.85 H new ATOM 0 HH21 ARG A 14 -9.942 -3.398 -6.378 1.00 5.54 H new ATOM 0 HH22 ARG A 14 -10.799 -3.918 -7.833 1.00 5.54 H new ATOM 226 N VAL A 15 -2.892 -4.396 -3.329 1.00 0.96 N ATOM 227 CA VAL A 15 -1.880 -4.809 -2.309 1.00 0.89 C ATOM 228 C VAL A 15 -2.443 -5.981 -1.514 1.00 0.81 C ATOM 229 O VAL A 15 -3.594 -5.934 -1.102 1.00 0.95 O ATOM 230 CB VAL A 15 -1.607 -3.658 -1.322 1.00 1.06 C ATOM 231 CG1 VAL A 15 -0.418 -4.032 -0.419 1.00 1.22 C ATOM 232 CG2 VAL A 15 -1.292 -2.366 -2.089 1.00 1.41 C ATOM 0 H VAL A 15 -3.821 -4.191 -2.960 1.00 0.96 H new ATOM 0 HA VAL A 15 -0.956 -5.079 -2.820 1.00 0.89 H new ATOM 0 HB VAL A 15 -2.493 -3.494 -0.709 1.00 1.06 H new ATOM 0 HG11 VAL A 15 -0.223 -3.219 0.280 1.00 1.22 H new ATOM 0 HG12 VAL A 15 -0.654 -4.940 0.136 1.00 1.22 H new ATOM 0 HG13 VAL A 15 0.466 -4.202 -1.033 1.00 1.22 H new ATOM 0 HG21 VAL A 15 -1.101 -1.560 -1.381 1.00 1.41 H new ATOM 0 HG22 VAL A 15 -0.411 -2.518 -2.712 1.00 1.41 H new ATOM 0 HG23 VAL A 15 -2.141 -2.101 -2.720 1.00 1.41 H new ATOM 242 N ASN A 16 -1.649 -6.987 -1.302 1.00 0.75 N ATOM 243 CA ASN A 16 -2.174 -8.119 -0.511 1.00 0.73 C ATOM 244 C ASN A 16 -1.762 -7.886 0.923 1.00 0.73 C ATOM 245 O ASN A 16 -0.653 -7.481 1.196 1.00 1.26 O ATOM 246 CB ASN A 16 -1.591 -9.464 -0.978 1.00 0.87 C ATOM 247 CG ASN A 16 -2.471 -10.055 -2.078 1.00 1.45 C ATOM 248 OD1 ASN A 16 -2.319 -9.749 -3.244 1.00 2.48 O ATOM 249 ND2 ASN A 16 -3.413 -10.898 -1.756 1.00 2.51 N ATOM 0 H ASN A 16 -0.688 -7.073 -1.632 1.00 0.75 H new ATOM 0 HA ASN A 16 -3.256 -8.169 -0.630 1.00 0.73 H new ATOM 0 HB2 ASN A 16 -0.576 -9.322 -1.349 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -1.530 -10.156 -0.138 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.013 -11.293 -2.480 1.00 2.51 H new ATOM 0 HD22 ASN A 16 -3.550 -11.162 -0.780 1.00 2.51 H new ATOM 256 N VAL A 17 -2.687 -8.084 1.786 1.00 0.78 N ATOM 257 CA VAL A 17 -2.406 -7.921 3.217 1.00 0.92 C ATOM 258 C VAL A 17 -2.745 -9.276 3.764 1.00 1.20 C ATOM 259 O VAL A 17 -3.819 -9.492 4.278 1.00 1.45 O ATOM 260 CB VAL A 17 -3.291 -6.822 3.815 1.00 1.05 C ATOM 261 CG1 VAL A 17 -3.100 -6.775 5.332 1.00 1.38 C ATOM 262 CG2 VAL A 17 -2.867 -5.474 3.237 1.00 1.50 C ATOM 0 H VAL A 17 -3.644 -8.357 1.561 1.00 0.78 H new ATOM 0 HA VAL A 17 -1.384 -7.616 3.443 1.00 0.92 H new ATOM 0 HB VAL A 17 -4.334 -7.031 3.578 1.00 1.05 H new ATOM 0 HG11 VAL A 17 -3.731 -5.993 5.754 1.00 1.38 H new ATOM 0 HG12 VAL A 17 -3.377 -7.737 5.764 1.00 1.38 H new ATOM 0 HG13 VAL A 17 -2.056 -6.562 5.561 1.00 1.38 H new ATOM 0 HG21 VAL A 17 -3.491 -4.685 3.657 1.00 1.50 H new ATOM 0 HG22 VAL A 17 -1.824 -5.283 3.488 1.00 1.50 H new ATOM 0 HG23 VAL A 17 -2.983 -5.490 2.153 1.00 1.50 H new ATOM 272 N GLU A 18 -1.835 -10.173 3.568 1.00 1.44 N ATOM 273 CA GLU A 18 -2.065 -11.555 4.032 1.00 1.76 C ATOM 274 C GLU A 18 -1.462 -11.728 5.413 1.00 1.30 C ATOM 275 O GLU A 18 -1.872 -12.620 6.127 1.00 1.16 O ATOM 276 CB GLU A 18 -1.453 -12.538 3.019 1.00 2.65 C ATOM 277 CG GLU A 18 -2.551 -13.478 2.476 1.00 3.72 C ATOM 278 CD GLU A 18 -3.740 -12.683 1.898 1.00 4.37 C ATOM 279 OE1 GLU A 18 -3.487 -11.891 0.993 1.00 4.54 O ATOM 280 OE2 GLU A 18 -4.839 -12.925 2.389 1.00 5.63 O ATOM 0 H GLU A 18 -0.941 -10.009 3.106 1.00 1.44 H new ATOM 0 HA GLU A 18 -3.133 -11.761 4.102 1.00 1.76 H new ATOM 0 HB2 GLU A 18 -0.992 -11.989 2.198 1.00 2.65 H new ATOM 0 HB3 GLU A 18 -0.664 -13.121 3.495 1.00 2.65 H new ATOM 0 HG2 GLU A 18 -2.131 -14.121 1.702 1.00 3.72 H new ATOM 0 HG3 GLU A 18 -2.902 -14.130 3.276 1.00 3.72 H new ATOM 287 N ASP A 19 -0.486 -10.921 5.757 1.00 1.32 N ATOM 288 CA ASP A 19 0.074 -11.057 7.128 1.00 1.37 C ATOM 289 C ASP A 19 0.207 -9.674 7.742 1.00 1.21 C ATOM 290 O ASP A 19 -0.176 -8.679 7.166 1.00 1.14 O ATOM 291 CB ASP A 19 1.419 -11.832 7.148 1.00 1.88 C ATOM 292 CG ASP A 19 2.657 -10.932 7.235 1.00 2.31 C ATOM 293 OD1 ASP A 19 2.956 -10.277 6.254 1.00 3.72 O ATOM 294 OD2 ASP A 19 3.236 -10.933 8.309 1.00 2.47 O ATOM 0 H ASP A 19 -0.069 -10.200 5.168 1.00 1.32 H new ATOM 0 HA ASP A 19 -0.612 -11.655 7.728 1.00 1.37 H new ATOM 0 HB2 ASP A 19 1.420 -12.516 7.997 1.00 1.88 H new ATOM 0 HB3 ASP A 19 1.488 -12.442 6.247 1.00 1.88 H new ATOM 299 N GLU A 20 0.842 -9.661 8.851 1.00 1.35 N ATOM 300 CA GLU A 20 1.009 -8.407 9.621 1.00 1.26 C ATOM 301 C GLU A 20 2.158 -7.545 9.091 1.00 1.06 C ATOM 302 O GLU A 20 2.215 -6.353 9.377 1.00 0.93 O ATOM 303 CB GLU A 20 1.250 -8.862 11.053 1.00 1.54 C ATOM 304 CG GLU A 20 0.017 -9.644 11.570 1.00 2.53 C ATOM 305 CD GLU A 20 -1.100 -8.696 12.048 1.00 2.41 C ATOM 306 OE1 GLU A 20 -1.470 -7.821 11.285 1.00 3.02 O ATOM 307 OE2 GLU A 20 -1.559 -8.905 13.163 1.00 2.99 O ATOM 0 H GLU A 20 1.269 -10.483 9.278 1.00 1.35 H new ATOM 0 HA GLU A 20 0.132 -7.765 9.538 1.00 1.26 H new ATOM 0 HB2 GLU A 20 2.138 -9.493 11.099 1.00 1.54 H new ATOM 0 HB3 GLU A 20 1.439 -7.999 11.692 1.00 1.54 H new ATOM 0 HG2 GLU A 20 -0.365 -10.286 10.777 1.00 2.53 H new ATOM 0 HG3 GLU A 20 0.317 -10.296 12.391 1.00 2.53 H new ATOM 314 N ASN A 21 3.047 -8.143 8.353 1.00 1.27 N ATOM 315 CA ASN A 21 4.173 -7.354 7.787 1.00 1.15 C ATOM 316 C ASN A 21 3.568 -6.414 6.748 1.00 1.05 C ATOM 317 O ASN A 21 3.750 -5.215 6.817 1.00 1.05 O ATOM 318 CB ASN A 21 5.199 -8.283 7.123 1.00 1.27 C ATOM 319 CG ASN A 21 6.538 -7.550 7.038 1.00 1.44 C ATOM 320 OD1 ASN A 21 6.751 -6.737 6.054 1.00 1.82 O flip ATOM 321 ND2 ASN A 21 7.379 -7.677 7.904 1.00 2.13 N flip ATOM 0 H ASN A 21 3.044 -9.136 8.118 1.00 1.27 H new ATOM 0 HA ASN A 21 4.691 -6.799 8.569 1.00 1.15 H new ATOM 0 HB2 ASN A 21 5.307 -9.202 7.700 1.00 1.27 H new ATOM 0 HB3 ASN A 21 4.861 -8.570 6.127 1.00 1.27 H new ATOM 0 HD21 ASN A 21 7.217 -8.316 8.682 1.00 2.13 H new ATOM 0 HD22 ASN A 21 8.248 -7.145 7.853 1.00 2.13 H new ATOM 328 N ASP A 22 2.852 -6.995 5.812 1.00 1.03 N ATOM 329 CA ASP A 22 2.179 -6.180 4.748 1.00 1.01 C ATOM 330 C ASP A 22 1.585 -4.896 5.336 1.00 0.89 C ATOM 331 O ASP A 22 1.663 -3.830 4.747 1.00 1.09 O ATOM 332 CB ASP A 22 1.048 -7.021 4.132 1.00 1.01 C ATOM 333 CG ASP A 22 1.585 -7.954 3.040 1.00 2.00 C ATOM 334 OD1 ASP A 22 2.271 -7.446 2.153 1.00 2.63 O ATOM 335 OD2 ASP A 22 1.242 -9.123 3.149 1.00 3.16 O ATOM 0 H ASP A 22 2.705 -8.002 5.739 1.00 1.03 H new ATOM 0 HA ASP A 22 2.915 -5.905 3.992 1.00 1.01 H new ATOM 0 HB2 ASP A 22 0.563 -7.609 4.911 1.00 1.01 H new ATOM 0 HB3 ASP A 22 0.289 -6.362 3.711 1.00 1.01 H new ATOM 340 N ILE A 23 0.986 -5.024 6.493 1.00 0.67 N ATOM 341 CA ILE A 23 0.367 -3.829 7.132 1.00 0.64 C ATOM 342 C ILE A 23 1.458 -2.918 7.703 1.00 0.73 C ATOM 343 O ILE A 23 1.525 -1.746 7.367 1.00 0.86 O ATOM 344 CB ILE A 23 -0.581 -4.306 8.240 1.00 0.68 C ATOM 345 CG1 ILE A 23 -1.564 -5.312 7.623 1.00 0.73 C ATOM 346 CG2 ILE A 23 -1.356 -3.095 8.776 1.00 0.81 C ATOM 347 CD1 ILE A 23 -2.433 -5.943 8.707 1.00 0.78 C ATOM 0 H ILE A 23 0.900 -5.895 7.016 1.00 0.67 H new ATOM 0 HA ILE A 23 -0.197 -3.256 6.396 1.00 0.64 H new ATOM 0 HB ILE A 23 -0.027 -4.774 9.054 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -2.195 -4.810 6.889 1.00 0.73 H new ATOM 0 HG13 ILE A 23 -1.013 -6.089 7.092 1.00 0.73 H new ATOM 0 HG21 ILE A 23 -2.035 -3.418 9.565 1.00 0.81 H new ATOM 0 HG22 ILE A 23 -0.655 -2.363 9.177 1.00 0.81 H new ATOM 0 HG23 ILE A 23 -1.929 -2.643 7.967 1.00 0.81 H new ATOM 0 HD11 ILE A 23 -3.124 -6.653 8.252 1.00 0.78 H new ATOM 0 HD12 ILE A 23 -1.799 -6.463 9.425 1.00 0.78 H new ATOM 0 HD13 ILE A 23 -2.998 -5.164 9.219 1.00 0.78 H new ATOM 359 N SER A 24 2.259 -3.463 8.584 1.00 0.72 N ATOM 360 CA SER A 24 3.384 -2.673 9.182 1.00 0.85 C ATOM 361 C SER A 24 4.126 -1.902 8.087 1.00 0.83 C ATOM 362 O SER A 24 4.425 -0.736 8.250 1.00 1.03 O ATOM 363 CB SER A 24 4.341 -3.647 9.866 1.00 1.01 C ATOM 364 OG SER A 24 3.493 -4.375 10.747 1.00 1.25 O ATOM 0 H SER A 24 2.184 -4.424 8.917 1.00 0.72 H new ATOM 0 HA SER A 24 2.993 -1.956 9.904 1.00 0.85 H new ATOM 0 HB2 SER A 24 4.831 -4.303 9.146 1.00 1.01 H new ATOM 0 HB3 SER A 24 5.129 -3.123 10.407 1.00 1.01 H new ATOM 0 HG SER A 24 3.159 -5.176 10.292 1.00 1.25 H new ATOM 370 N GLU A 25 4.429 -2.575 7.013 1.00 0.75 N ATOM 371 CA GLU A 25 5.132 -1.884 5.908 1.00 0.74 C ATOM 372 C GLU A 25 4.232 -0.788 5.318 1.00 0.68 C ATOM 373 O GLU A 25 4.712 0.291 5.067 1.00 0.80 O ATOM 374 CB GLU A 25 5.543 -2.933 4.860 1.00 0.85 C ATOM 375 CG GLU A 25 7.078 -3.168 4.937 1.00 1.30 C ATOM 376 CD GLU A 25 7.519 -3.612 6.341 1.00 1.66 C ATOM 377 OE1 GLU A 25 6.693 -4.184 7.027 1.00 2.59 O ATOM 378 OE2 GLU A 25 8.675 -3.372 6.643 1.00 2.78 O ATOM 0 H GLU A 25 4.222 -3.561 6.857 1.00 0.75 H new ATOM 0 HA GLU A 25 6.034 -1.390 6.270 1.00 0.74 H new ATOM 0 HB2 GLU A 25 5.012 -3.868 5.038 1.00 0.85 H new ATOM 0 HB3 GLU A 25 5.266 -2.594 3.862 1.00 0.85 H new ATOM 0 HG2 GLU A 25 7.366 -3.926 4.209 1.00 1.30 H new ATOM 0 HG3 GLU A 25 7.600 -2.250 4.665 1.00 1.30 H new ATOM 385 N LEU A 26 2.965 -1.050 5.079 1.00 0.69 N ATOM 386 CA LEU A 26 2.106 0.038 4.534 1.00 0.83 C ATOM 387 C LEU A 26 2.134 1.242 5.480 1.00 0.87 C ATOM 388 O LEU A 26 2.340 2.359 5.044 1.00 1.03 O ATOM 389 CB LEU A 26 0.676 -0.491 4.432 1.00 1.10 C ATOM 390 CG LEU A 26 0.159 -0.444 2.992 1.00 0.78 C ATOM 391 CD1 LEU A 26 0.141 1.006 2.478 1.00 1.97 C ATOM 392 CD2 LEU A 26 1.008 -1.312 2.056 1.00 2.56 C ATOM 0 H LEU A 26 2.504 -1.947 5.235 1.00 0.69 H new ATOM 0 HA LEU A 26 2.470 0.348 3.555 1.00 0.83 H new ATOM 0 HB2 LEU A 26 0.640 -1.517 4.799 1.00 1.10 H new ATOM 0 HB3 LEU A 26 0.022 0.100 5.073 1.00 1.10 H new ATOM 0 HG LEU A 26 -0.856 -0.842 2.996 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -0.229 1.024 1.453 1.00 1.97 H new ATOM 0 HD12 LEU A 26 -0.512 1.608 3.110 1.00 1.97 H new ATOM 0 HD13 LEU A 26 1.151 1.415 2.507 1.00 1.97 H new ATOM 0 HD21 LEU A 26 0.609 -1.252 1.043 1.00 2.56 H new ATOM 0 HD22 LEU A 26 2.038 -0.954 2.062 1.00 2.56 H new ATOM 0 HD23 LEU A 26 0.981 -2.347 2.396 1.00 2.56 H new ATOM 404 N HIS A 27 1.867 0.969 6.742 1.00 0.85 N ATOM 405 CA HIS A 27 1.859 2.030 7.804 1.00 1.09 C ATOM 406 C HIS A 27 2.865 3.139 7.493 1.00 0.97 C ATOM 407 O HIS A 27 2.541 4.313 7.554 1.00 1.15 O ATOM 408 CB HIS A 27 2.185 1.374 9.154 1.00 1.28 C ATOM 409 CG HIS A 27 0.944 1.060 9.988 1.00 1.41 C ATOM 410 ND1 HIS A 27 0.128 2.003 10.357 1.00 1.43 N ATOM 411 CD2 HIS A 27 0.443 -0.112 10.494 1.00 2.21 C ATOM 412 CE1 HIS A 27 -0.848 1.469 11.059 1.00 1.67 C ATOM 413 NE2 HIS A 27 -0.648 0.177 11.138 1.00 2.09 N ATOM 0 H HIS A 27 1.650 0.033 7.085 1.00 0.85 H new ATOM 0 HA HIS A 27 0.872 2.491 7.840 1.00 1.09 H new ATOM 0 HB2 HIS A 27 2.739 0.452 8.978 1.00 1.28 H new ATOM 0 HB3 HIS A 27 2.839 2.035 9.723 1.00 1.28 H new ATOM 0 HD2 HIS A 27 0.876 -1.095 10.378 1.00 2.21 H new ATOM 0 HE1 HIS A 27 -1.676 2.006 11.497 1.00 1.67 H new ATOM 0 HE2 HIS A 27 -1.248 -0.490 11.623 1.00 2.09 H new ATOM 421 N GLU A 28 4.068 2.737 7.197 1.00 0.84 N ATOM 422 CA GLU A 28 5.119 3.738 6.860 1.00 0.86 C ATOM 423 C GLU A 28 4.583 4.714 5.793 1.00 0.82 C ATOM 424 O GLU A 28 4.342 5.882 6.062 1.00 1.09 O ATOM 425 CB GLU A 28 6.347 2.969 6.341 1.00 0.97 C ATOM 426 CG GLU A 28 7.469 3.953 5.968 1.00 2.04 C ATOM 427 CD GLU A 28 8.017 4.666 7.215 1.00 2.67 C ATOM 428 OE1 GLU A 28 7.660 4.239 8.304 1.00 2.78 O ATOM 429 OE2 GLU A 28 8.791 5.583 7.005 1.00 3.98 O ATOM 0 H GLU A 28 4.369 1.763 7.173 1.00 0.84 H new ATOM 0 HA GLU A 28 5.397 4.325 7.735 1.00 0.86 H new ATOM 0 HB2 GLU A 28 6.700 2.275 7.104 1.00 0.97 H new ATOM 0 HB3 GLU A 28 6.071 2.373 5.471 1.00 0.97 H new ATOM 0 HG2 GLU A 28 8.276 3.417 5.468 1.00 2.04 H new ATOM 0 HG3 GLU A 28 7.090 4.691 5.261 1.00 2.04 H new ATOM 436 N LEU A 29 4.394 4.192 4.608 1.00 0.81 N ATOM 437 CA LEU A 29 3.866 5.017 3.477 1.00 0.85 C ATOM 438 C LEU A 29 2.630 5.784 3.941 1.00 1.02 C ATOM 439 O LEU A 29 2.536 6.988 3.785 1.00 1.54 O ATOM 440 CB LEU A 29 3.489 4.060 2.326 1.00 0.90 C ATOM 441 CG LEU A 29 2.924 4.832 1.110 1.00 1.22 C ATOM 442 CD1 LEU A 29 3.947 5.844 0.578 1.00 1.34 C ATOM 443 CD2 LEU A 29 2.601 3.839 -0.013 1.00 1.93 C ATOM 0 H LEU A 29 4.585 3.218 4.372 1.00 0.81 H new ATOM 0 HA LEU A 29 4.616 5.733 3.141 1.00 0.85 H new ATOM 0 HB2 LEU A 29 4.368 3.492 2.021 1.00 0.90 H new ATOM 0 HB3 LEU A 29 2.750 3.340 2.677 1.00 0.90 H new ATOM 0 HG LEU A 29 2.028 5.363 1.430 1.00 1.22 H new ATOM 0 HD11 LEU A 29 3.525 6.373 -0.276 1.00 1.34 H new ATOM 0 HD12 LEU A 29 4.193 6.560 1.363 1.00 1.34 H new ATOM 0 HD13 LEU A 29 4.851 5.319 0.269 1.00 1.34 H new ATOM 0 HD21 LEU A 29 2.202 4.378 -0.872 1.00 1.93 H new ATOM 0 HD22 LEU A 29 3.509 3.312 -0.305 1.00 1.93 H new ATOM 0 HD23 LEU A 29 1.861 3.120 0.339 1.00 1.93 H new ATOM 455 N ALA A 30 1.713 5.037 4.504 1.00 1.05 N ATOM 456 CA ALA A 30 0.439 5.630 5.010 1.00 1.48 C ATOM 457 C ALA A 30 0.697 6.898 5.817 1.00 1.60 C ATOM 458 O ALA A 30 0.052 7.901 5.585 1.00 1.70 O ATOM 459 CB ALA A 30 -0.264 4.611 5.895 1.00 1.81 C ATOM 0 H ALA A 30 1.795 4.029 4.636 1.00 1.05 H new ATOM 0 HA ALA A 30 -0.183 5.891 4.153 1.00 1.48 H new ATOM 0 HB1 ALA A 30 -1.196 5.035 6.269 1.00 1.81 H new ATOM 0 HB2 ALA A 30 -0.481 3.714 5.315 1.00 1.81 H new ATOM 0 HB3 ALA A 30 0.380 4.353 6.735 1.00 1.81 H new ATOM 465 N SER A 31 1.593 6.808 6.769 1.00 1.94 N ATOM 466 CA SER A 31 1.940 8.000 7.615 1.00 2.25 C ATOM 467 C SER A 31 1.971 9.259 6.742 1.00 2.43 C ATOM 468 O SER A 31 1.673 10.349 7.180 1.00 2.98 O ATOM 469 CB SER A 31 3.313 7.762 8.250 1.00 2.30 C ATOM 470 OG SER A 31 3.156 6.518 8.927 1.00 2.71 O ATOM 0 H SER A 31 2.104 5.956 7.000 1.00 1.94 H new ATOM 0 HA SER A 31 1.193 8.139 8.397 1.00 2.25 H new ATOM 0 HB2 SER A 31 4.100 7.713 7.497 1.00 2.30 H new ATOM 0 HB3 SER A 31 3.581 8.563 8.939 1.00 2.30 H new ATOM 0 HG SER A 31 3.389 5.784 8.321 1.00 2.71 H new ATOM 476 N THR A 32 2.436 9.065 5.547 1.00 2.25 N ATOM 477 CA THR A 32 2.505 10.153 4.545 1.00 2.85 C ATOM 478 C THR A 32 1.940 9.568 3.247 1.00 2.86 C ATOM 479 O THR A 32 2.620 9.456 2.245 1.00 3.07 O ATOM 480 CB THR A 32 3.973 10.574 4.416 1.00 3.04 C ATOM 481 OG1 THR A 32 4.252 11.229 5.648 1.00 4.11 O ATOM 482 CG2 THR A 32 4.198 11.642 3.347 1.00 4.15 C ATOM 0 H THR A 32 2.783 8.166 5.213 1.00 2.25 H new ATOM 0 HA THR A 32 1.933 11.041 4.814 1.00 2.85 H new ATOM 0 HB THR A 32 4.579 9.702 4.169 1.00 3.04 H new ATOM 0 HG1 THR A 32 5.183 11.534 5.653 1.00 4.11 H new ATOM 0 HG21 THR A 32 5.257 11.897 3.305 1.00 4.15 H new ATOM 0 HG22 THR A 32 3.878 11.260 2.378 1.00 4.15 H new ATOM 0 HG23 THR A 32 3.620 12.532 3.595 1.00 4.15 H new ATOM 490 N ARG A 33 0.702 9.148 3.329 1.00 3.29 N ATOM 491 CA ARG A 33 0.026 8.532 2.152 1.00 3.61 C ATOM 492 C ARG A 33 -0.023 9.481 0.937 1.00 2.40 C ATOM 493 O ARG A 33 -1.052 10.064 0.630 1.00 2.88 O ATOM 494 CB ARG A 33 -1.401 8.112 2.559 1.00 5.22 C ATOM 495 CG ARG A 33 -1.881 7.017 1.595 1.00 6.27 C ATOM 496 CD ARG A 33 -3.309 6.546 1.934 1.00 7.90 C ATOM 497 NE ARG A 33 -4.177 7.706 2.296 1.00 8.49 N ATOM 498 CZ ARG A 33 -5.071 8.132 1.459 1.00 9.17 C ATOM 499 NH1 ARG A 33 -4.672 8.920 0.504 1.00 9.14 N ATOM 500 NH2 ARG A 33 -6.309 7.752 1.613 1.00 10.22 N ATOM 0 H ARG A 33 0.128 9.207 4.170 1.00 3.29 H new ATOM 0 HA ARG A 33 0.606 7.661 1.846 1.00 3.61 H new ATOM 0 HB2 ARG A 33 -1.409 7.744 3.585 1.00 5.22 H new ATOM 0 HB3 ARG A 33 -2.073 8.969 2.523 1.00 5.22 H new ATOM 0 HG2 ARG A 33 -1.855 7.395 0.573 1.00 6.27 H new ATOM 0 HG3 ARG A 33 -1.198 6.169 1.638 1.00 6.27 H new ATOM 0 HD2 ARG A 33 -3.735 6.019 1.080 1.00 7.90 H new ATOM 0 HD3 ARG A 33 -3.276 5.838 2.762 1.00 7.90 H new ATOM 0 HE ARG A 33 -4.067 8.163 3.201 1.00 8.49 H new ATOM 0 HH11 ARG A 33 -3.688 9.180 0.435 1.00 9.14 H new ATOM 0 HH12 ARG A 33 -5.343 9.278 -0.176 1.00 9.14 H new ATOM 0 HH21 ARG A 33 -6.560 7.130 2.382 1.00 10.22 H new ATOM 0 HH22 ARG A 33 -7.027 8.077 0.965 1.00 10.22 H new ATOM 514 N GLN A 34 1.103 9.602 0.264 1.00 1.84 N ATOM 515 CA GLN A 34 1.164 10.480 -0.951 1.00 2.02 C ATOM 516 C GLN A 34 0.232 9.925 -2.040 1.00 1.80 C ATOM 517 O GLN A 34 -0.059 10.586 -3.021 1.00 1.93 O ATOM 518 CB GLN A 34 2.601 10.537 -1.500 1.00 3.28 C ATOM 519 CG GLN A 34 3.550 11.125 -0.442 1.00 3.87 C ATOM 520 CD GLN A 34 4.825 11.628 -1.134 1.00 5.06 C ATOM 521 OE1 GLN A 34 5.579 10.876 -1.706 1.00 6.18 O ATOM 522 NE2 GLN A 34 5.086 12.901 -1.132 1.00 5.46 N ATOM 0 H GLN A 34 1.976 9.133 0.504 1.00 1.84 H new ATOM 0 HA GLN A 34 0.848 11.484 -0.669 1.00 2.02 H new ATOM 0 HB2 GLN A 34 2.931 9.537 -1.780 1.00 3.28 H new ATOM 0 HB3 GLN A 34 2.629 11.146 -2.403 1.00 3.28 H new ATOM 0 HG2 GLN A 34 3.062 11.943 0.088 1.00 3.87 H new ATOM 0 HG3 GLN A 34 3.799 10.368 0.301 1.00 3.87 H new ATOM 0 HE21 GLN A 34 4.460 13.549 -0.654 1.00 5.46 H new ATOM 0 HE22 GLN A 34 5.917 13.252 -1.608 1.00 5.46 H new ATOM 531 N ILE A 35 -0.209 8.717 -1.833 1.00 1.67 N ATOM 532 CA ILE A 35 -1.135 8.056 -2.803 1.00 1.53 C ATOM 533 C ILE A 35 -2.525 8.033 -2.196 1.00 1.36 C ATOM 534 O ILE A 35 -2.722 8.518 -1.098 1.00 1.46 O ATOM 535 CB ILE A 35 -0.701 6.597 -3.062 1.00 1.63 C ATOM 536 CG1 ILE A 35 -0.358 5.852 -1.742 1.00 1.61 C ATOM 537 CG2 ILE A 35 0.510 6.578 -3.981 1.00 1.99 C ATOM 538 CD1 ILE A 35 -1.606 5.169 -1.170 1.00 2.00 C ATOM 0 H ILE A 35 0.035 8.148 -1.022 1.00 1.67 H new ATOM 0 HA ILE A 35 -1.118 8.608 -3.743 1.00 1.53 H new ATOM 0 HB ILE A 35 -1.539 6.081 -3.532 1.00 1.63 H new ATOM 0 HG12 ILE A 35 0.417 5.109 -1.928 1.00 1.61 H new ATOM 0 HG13 ILE A 35 0.044 6.557 -1.014 1.00 1.61 H new ATOM 0 HG21 ILE A 35 0.814 5.547 -4.162 1.00 1.99 H new ATOM 0 HG22 ILE A 35 0.255 7.053 -4.929 1.00 1.99 H new ATOM 0 HG23 ILE A 35 1.331 7.121 -3.513 1.00 1.99 H new ATOM 0 HD11 ILE A 35 -1.347 4.652 -0.246 1.00 2.00 H new ATOM 0 HD12 ILE A 35 -2.369 5.919 -0.964 1.00 2.00 H new ATOM 0 HD13 ILE A 35 -1.990 4.449 -1.893 1.00 2.00 H new ATOM 550 N ASP A 36 -3.481 7.503 -2.904 1.00 1.31 N ATOM 551 CA ASP A 36 -4.832 7.442 -2.288 1.00 1.17 C ATOM 552 C ASP A 36 -5.370 6.031 -2.400 1.00 1.15 C ATOM 553 O ASP A 36 -5.072 5.313 -3.344 1.00 1.47 O ATOM 554 CB ASP A 36 -5.791 8.450 -2.934 1.00 1.22 C ATOM 555 CG ASP A 36 -7.060 8.557 -2.073 1.00 2.49 C ATOM 556 OD1 ASP A 36 -6.902 8.651 -0.864 1.00 3.78 O ATOM 557 OD2 ASP A 36 -8.118 8.519 -2.667 1.00 3.39 O ATOM 0 H ASP A 36 -3.393 7.123 -3.846 1.00 1.31 H new ATOM 0 HA ASP A 36 -4.749 7.712 -1.235 1.00 1.17 H new ATOM 0 HB2 ASP A 36 -5.311 9.425 -3.019 1.00 1.22 H new ATOM 0 HB3 ASP A 36 -6.047 8.131 -3.944 1.00 1.22 H new ATOM 562 N PHE A 37 -6.195 5.692 -1.453 1.00 1.01 N ATOM 563 CA PHE A 37 -6.782 4.326 -1.416 1.00 0.98 C ATOM 564 C PHE A 37 -8.264 4.379 -1.750 1.00 0.93 C ATOM 565 O PHE A 37 -8.875 5.434 -1.730 1.00 1.27 O ATOM 566 CB PHE A 37 -6.635 3.725 -0.001 1.00 1.13 C ATOM 567 CG PHE A 37 -5.173 3.386 0.335 1.00 1.20 C ATOM 568 CD1 PHE A 37 -4.412 2.663 -0.549 1.00 1.87 C ATOM 569 CD2 PHE A 37 -4.624 3.747 1.554 1.00 1.49 C ATOM 570 CE1 PHE A 37 -3.119 2.306 -0.232 1.00 2.11 C ATOM 571 CE2 PHE A 37 -3.329 3.387 1.875 1.00 1.65 C ATOM 572 CZ PHE A 37 -2.578 2.668 0.979 1.00 1.69 C ATOM 0 H PHE A 37 -6.491 6.308 -0.696 1.00 1.01 H new ATOM 0 HA PHE A 37 -6.255 3.712 -2.146 1.00 0.98 H new ATOM 0 HB2 PHE A 37 -7.021 4.431 0.734 1.00 1.13 H new ATOM 0 HB3 PHE A 37 -7.242 2.823 0.074 1.00 1.13 H new ATOM 0 HD1 PHE A 37 -4.830 2.371 -1.501 1.00 1.87 H new ATOM 0 HD2 PHE A 37 -5.213 4.314 2.260 1.00 1.49 H new ATOM 0 HE1 PHE A 37 -2.529 1.740 -0.937 1.00 2.11 H new ATOM 0 HE2 PHE A 37 -2.909 3.671 2.829 1.00 1.65 H new ATOM 0 HZ PHE A 37 -1.564 2.387 1.225 1.00 1.69 H new ATOM 582 N TRP A 38 -8.776 3.230 -2.069 1.00 0.87 N ATOM 583 CA TRP A 38 -10.224 3.094 -2.398 1.00 1.00 C ATOM 584 C TRP A 38 -10.860 2.244 -1.304 1.00 1.01 C ATOM 585 O TRP A 38 -11.867 2.597 -0.735 1.00 1.16 O ATOM 586 CB TRP A 38 -10.395 2.392 -3.755 1.00 1.35 C ATOM 587 CG TRP A 38 -10.581 3.307 -4.969 1.00 1.44 C ATOM 588 CD1 TRP A 38 -11.526 4.284 -5.094 1.00 2.29 C ATOM 589 CD2 TRP A 38 -9.964 3.276 -6.198 1.00 1.76 C ATOM 590 NE1 TRP A 38 -11.493 4.797 -6.290 1.00 2.92 N ATOM 591 CE2 TRP A 38 -10.562 4.220 -7.020 1.00 2.67 C ATOM 592 CE3 TRP A 38 -8.931 2.480 -6.657 1.00 1.91 C ATOM 593 CZ2 TRP A 38 -10.143 4.385 -8.315 1.00 3.38 C ATOM 594 CZ3 TRP A 38 -8.519 2.659 -7.969 1.00 2.72 C ATOM 595 CH2 TRP A 38 -9.117 3.599 -8.792 1.00 3.33 C ATOM 0 H TRP A 38 -8.246 2.360 -2.118 1.00 0.87 H new ATOM 0 HA TRP A 38 -10.695 4.075 -2.457 1.00 1.00 H new ATOM 0 HB2 TRP A 38 -9.521 1.765 -3.929 1.00 1.35 H new ATOM 0 HB3 TRP A 38 -11.257 1.727 -3.691 1.00 1.35 H new ATOM 0 HD1 TRP A 38 -12.205 4.588 -4.311 1.00 2.29 H new ATOM 0 HE1 TRP A 38 -12.105 5.544 -6.617 1.00 2.92 H new ATOM 0 HE3 TRP A 38 -8.462 1.746 -6.018 1.00 1.91 H new ATOM 0 HZ2 TRP A 38 -10.611 5.121 -8.952 1.00 3.38 H new ATOM 0 HZ3 TRP A 38 -7.714 2.052 -8.357 1.00 2.72 H new ATOM 0 HH2 TRP A 38 -8.778 3.716 -9.811 1.00 3.33 H new ATOM 606 N LYS A 39 -10.272 1.102 -1.083 1.00 1.03 N ATOM 607 CA LYS A 39 -10.766 0.180 -0.022 1.00 1.29 C ATOM 608 C LYS A 39 -9.563 -0.571 0.576 1.00 1.06 C ATOM 609 O LYS A 39 -8.798 -1.157 -0.166 1.00 0.98 O ATOM 610 CB LYS A 39 -11.748 -0.814 -0.663 1.00 1.73 C ATOM 611 CG LYS A 39 -12.136 -1.922 0.346 1.00 3.58 C ATOM 612 CD LYS A 39 -12.406 -3.246 -0.388 1.00 4.14 C ATOM 613 CE LYS A 39 -11.117 -4.084 -0.528 1.00 5.33 C ATOM 614 NZ LYS A 39 -9.951 -3.259 -0.952 1.00 5.27 N ATOM 0 H LYS A 39 -9.460 0.764 -1.599 1.00 1.03 H new ATOM 0 HA LYS A 39 -11.273 0.731 0.770 1.00 1.29 H new ATOM 0 HB2 LYS A 39 -12.643 -0.287 -0.995 1.00 1.73 H new ATOM 0 HB3 LYS A 39 -11.295 -1.262 -1.547 1.00 1.73 H new ATOM 0 HG2 LYS A 39 -11.334 -2.058 1.072 1.00 3.58 H new ATOM 0 HG3 LYS A 39 -13.023 -1.621 0.903 1.00 3.58 H new ATOM 0 HD2 LYS A 39 -13.157 -3.819 0.156 1.00 4.14 H new ATOM 0 HD3 LYS A 39 -12.817 -3.039 -1.376 1.00 4.14 H new ATOM 0 HE2 LYS A 39 -10.893 -4.564 0.425 1.00 5.33 H new ATOM 0 HE3 LYS A 39 -11.280 -4.879 -1.255 1.00 5.33 H new ATOM 0 HZ1 LYS A 39 -9.166 -3.883 -1.229 1.00 5.27 H new ATOM 0 HZ2 LYS A 39 -10.222 -2.665 -1.761 1.00 5.27 H new ATOM 0 HZ3 LYS A 39 -9.649 -2.653 -0.163 1.00 5.27 H new ATOM 628 N PRO A 40 -9.439 -0.611 1.886 1.00 1.41 N ATOM 629 CA PRO A 40 -9.976 0.409 2.825 1.00 2.09 C ATOM 630 C PRO A 40 -9.477 1.817 2.465 1.00 2.28 C ATOM 631 O PRO A 40 -8.953 2.029 1.388 1.00 2.90 O ATOM 632 CB PRO A 40 -9.457 -0.047 4.202 1.00 2.90 C ATOM 633 CG PRO A 40 -8.341 -1.079 3.915 1.00 2.86 C ATOM 634 CD PRO A 40 -8.673 -1.682 2.551 1.00 1.64 C ATOM 0 HA PRO A 40 -11.063 0.479 2.795 1.00 2.09 H new ATOM 0 HB2 PRO A 40 -9.071 0.797 4.773 1.00 2.90 H new ATOM 0 HB3 PRO A 40 -10.257 -0.492 4.793 1.00 2.90 H new ATOM 0 HG2 PRO A 40 -7.361 -0.602 3.904 1.00 2.86 H new ATOM 0 HG3 PRO A 40 -8.312 -1.849 4.686 1.00 2.86 H new ATOM 0 HD2 PRO A 40 -7.772 -1.938 1.994 1.00 1.64 H new ATOM 0 HD3 PRO A 40 -9.259 -2.596 2.647 1.00 1.64 H new ATOM 642 N ASP A 41 -9.645 2.728 3.381 1.00 2.39 N ATOM 643 CA ASP A 41 -9.205 4.132 3.152 1.00 2.94 C ATOM 644 C ASP A 41 -7.950 4.406 3.984 1.00 2.72 C ATOM 645 O ASP A 41 -6.970 4.922 3.472 1.00 3.29 O ATOM 646 CB ASP A 41 -10.338 5.067 3.590 1.00 3.74 C ATOM 647 CG ASP A 41 -10.568 4.913 5.095 1.00 3.97 C ATOM 648 OD1 ASP A 41 -10.908 3.801 5.478 1.00 4.01 O ATOM 649 OD2 ASP A 41 -10.313 5.885 5.779 1.00 4.85 O ATOM 0 H ASP A 41 -10.074 2.557 4.291 1.00 2.39 H new ATOM 0 HA ASP A 41 -8.975 4.297 2.099 1.00 2.94 H new ATOM 0 HB2 ASP A 41 -10.084 6.100 3.353 1.00 3.74 H new ATOM 0 HB3 ASP A 41 -11.252 4.830 3.045 1.00 3.74 H new ATOM 654 N SER A 42 -8.009 4.072 5.240 1.00 2.33 N ATOM 655 CA SER A 42 -6.832 4.289 6.120 1.00 2.34 C ATOM 656 C SER A 42 -6.312 2.924 6.574 1.00 1.82 C ATOM 657 O SER A 42 -7.080 1.987 6.697 1.00 2.06 O ATOM 658 CB SER A 42 -7.277 5.124 7.325 1.00 2.79 C ATOM 659 OG SER A 42 -7.705 6.363 6.757 1.00 3.36 O ATOM 0 H SER A 42 -8.822 3.658 5.695 1.00 2.33 H new ATOM 0 HA SER A 42 -6.037 4.817 5.594 1.00 2.34 H new ATOM 0 HB2 SER A 42 -8.085 4.636 7.870 1.00 2.79 H new ATOM 0 HB3 SER A 42 -6.459 5.271 8.031 1.00 2.79 H new ATOM 0 HG SER A 42 -8.616 6.266 6.410 1.00 3.36 H new ATOM 665 N VAL A 43 -5.032 2.824 6.838 1.00 1.79 N ATOM 666 CA VAL A 43 -4.487 1.506 7.278 1.00 1.45 C ATOM 667 C VAL A 43 -4.287 1.541 8.798 1.00 1.62 C ATOM 668 O VAL A 43 -3.215 1.324 9.324 1.00 2.27 O ATOM 669 CB VAL A 43 -3.187 1.209 6.494 1.00 1.97 C ATOM 670 CG1 VAL A 43 -2.108 2.261 6.779 1.00 2.55 C ATOM 671 CG2 VAL A 43 -2.650 -0.192 6.837 1.00 2.60 C ATOM 0 H VAL A 43 -4.354 3.583 6.769 1.00 1.79 H new ATOM 0 HA VAL A 43 -5.178 0.691 7.062 1.00 1.45 H new ATOM 0 HB VAL A 43 -3.433 1.246 5.433 1.00 1.97 H new ATOM 0 HG11 VAL A 43 -1.208 2.022 6.212 1.00 2.55 H new ATOM 0 HG12 VAL A 43 -2.472 3.245 6.484 1.00 2.55 H new ATOM 0 HG13 VAL A 43 -1.876 2.265 7.844 1.00 2.55 H new ATOM 0 HG21 VAL A 43 -1.736 -0.379 6.274 1.00 2.60 H new ATOM 0 HG22 VAL A 43 -2.437 -0.249 7.904 1.00 2.60 H new ATOM 0 HG23 VAL A 43 -3.397 -0.942 6.576 1.00 2.60 H new ATOM 681 N THR A 44 -5.370 1.810 9.462 1.00 1.50 N ATOM 682 CA THR A 44 -5.347 1.891 10.945 1.00 1.74 C ATOM 683 C THR A 44 -5.917 0.601 11.531 1.00 1.99 C ATOM 684 O THR A 44 -5.194 -0.172 12.118 1.00 2.52 O ATOM 685 CB THR A 44 -6.184 3.103 11.356 1.00 1.82 C ATOM 686 OG1 THR A 44 -7.427 2.955 10.670 1.00 1.78 O ATOM 687 CG2 THR A 44 -5.585 4.397 10.805 1.00 1.95 C ATOM 0 H THR A 44 -6.281 1.979 9.037 1.00 1.50 H new ATOM 0 HA THR A 44 -4.330 2.007 11.321 1.00 1.74 H new ATOM 0 HB THR A 44 -6.251 3.152 12.443 1.00 1.82 H new ATOM 0 HG1 THR A 44 -8.164 3.177 11.277 1.00 1.78 H new ATOM 0 HG21 THR A 44 -6.200 5.243 11.112 1.00 1.95 H new ATOM 0 HG22 THR A 44 -4.574 4.524 11.192 1.00 1.95 H new ATOM 0 HG23 THR A 44 -5.553 4.348 9.717 1.00 1.95 H new ATOM 695 N GLN A 45 -7.179 0.354 11.303 1.00 2.02 N ATOM 696 CA GLN A 45 -7.775 -0.910 11.842 1.00 2.41 C ATOM 697 C GLN A 45 -7.776 -1.944 10.718 1.00 2.12 C ATOM 698 O GLN A 45 -8.797 -2.502 10.364 1.00 2.24 O ATOM 699 CB GLN A 45 -9.214 -0.677 12.335 1.00 3.03 C ATOM 700 CG GLN A 45 -9.228 0.363 13.466 1.00 4.12 C ATOM 701 CD GLN A 45 -9.279 1.767 12.869 1.00 4.41 C ATOM 702 OE1 GLN A 45 -8.419 2.587 13.089 1.00 5.61 O ATOM 703 NE2 GLN A 45 -10.272 2.089 12.099 1.00 4.23 N ATOM 0 H GLN A 45 -7.814 0.956 10.779 1.00 2.02 H new ATOM 0 HA GLN A 45 -7.186 -1.258 12.691 1.00 2.41 H new ATOM 0 HB2 GLN A 45 -9.838 -0.335 11.509 1.00 3.03 H new ATOM 0 HB3 GLN A 45 -9.641 -1.615 12.689 1.00 3.03 H new ATOM 0 HG2 GLN A 45 -10.090 0.200 14.113 1.00 4.12 H new ATOM 0 HG3 GLN A 45 -8.339 0.253 14.086 1.00 4.12 H new ATOM 0 HE21 GLN A 45 -11.007 1.409 11.903 1.00 4.23 H new ATOM 0 HE22 GLN A 45 -10.318 3.022 11.690 1.00 4.23 H new ATOM 712 N ILE A 46 -6.616 -2.178 10.186 1.00 1.92 N ATOM 713 CA ILE A 46 -6.501 -3.164 9.075 1.00 1.66 C ATOM 714 C ILE A 46 -5.791 -4.409 9.582 1.00 1.47 C ATOM 715 O ILE A 46 -4.867 -4.311 10.363 1.00 1.52 O ATOM 716 CB ILE A 46 -5.696 -2.523 7.928 1.00 1.44 C ATOM 717 CG1 ILE A 46 -6.387 -1.281 7.381 1.00 2.21 C ATOM 718 CG2 ILE A 46 -5.425 -3.534 6.802 1.00 1.13 C ATOM 719 CD1 ILE A 46 -7.838 -1.580 7.130 1.00 2.89 C ATOM 0 H ILE A 46 -5.743 -1.733 10.468 1.00 1.92 H new ATOM 0 HA ILE A 46 -7.490 -3.445 8.712 1.00 1.66 H new ATOM 0 HB ILE A 46 -4.737 -2.214 8.344 1.00 1.44 H new ATOM 0 HG12 ILE A 46 -6.292 -0.458 8.090 1.00 2.21 H new ATOM 0 HG13 ILE A 46 -5.906 -0.962 6.456 1.00 2.21 H new ATOM 0 HG21 ILE A 46 -4.855 -3.051 6.008 1.00 1.13 H new ATOM 0 HG22 ILE A 46 -4.855 -4.375 7.197 1.00 1.13 H new ATOM 0 HG23 ILE A 46 -6.372 -3.894 6.401 1.00 1.13 H new ATOM 0 HD11 ILE A 46 -8.331 -0.690 6.739 1.00 2.89 H new ATOM 0 HD12 ILE A 46 -7.923 -2.390 6.405 1.00 2.89 H new ATOM 0 HD13 ILE A 46 -8.315 -1.878 8.064 1.00 2.89 H new ATOM 731 N LYS A 47 -6.256 -5.545 9.133 1.00 1.41 N ATOM 732 CA LYS A 47 -5.647 -6.844 9.552 1.00 1.29 C ATOM 733 C LYS A 47 -5.402 -7.710 8.301 1.00 0.87 C ATOM 734 O LYS A 47 -5.745 -7.306 7.199 1.00 0.97 O ATOM 735 CB LYS A 47 -6.614 -7.534 10.536 1.00 1.81 C ATOM 736 CG LYS A 47 -6.454 -6.945 11.955 1.00 3.32 C ATOM 737 CD LYS A 47 -5.102 -7.361 12.589 1.00 4.78 C ATOM 738 CE LYS A 47 -4.120 -6.175 12.603 1.00 6.23 C ATOM 739 NZ LYS A 47 -2.799 -6.576 13.165 1.00 7.59 N ATOM 0 H LYS A 47 -7.040 -5.630 8.487 1.00 1.41 H new ATOM 0 HA LYS A 47 -4.689 -6.691 10.049 1.00 1.29 H new ATOM 0 HB2 LYS A 47 -7.642 -7.405 10.196 1.00 1.81 H new ATOM 0 HB3 LYS A 47 -6.418 -8.606 10.557 1.00 1.81 H new ATOM 0 HG2 LYS A 47 -6.517 -5.858 11.909 1.00 3.32 H new ATOM 0 HG3 LYS A 47 -7.274 -7.285 12.587 1.00 3.32 H new ATOM 0 HD2 LYS A 47 -5.266 -7.716 13.606 1.00 4.78 H new ATOM 0 HD3 LYS A 47 -4.671 -8.190 12.028 1.00 4.78 H new ATOM 0 HE2 LYS A 47 -3.987 -5.797 11.589 1.00 6.23 H new ATOM 0 HE3 LYS A 47 -4.538 -5.360 13.195 1.00 6.23 H new ATOM 0 HZ1 LYS A 47 -2.544 -5.936 13.944 1.00 7.59 H new ATOM 0 HZ2 LYS A 47 -2.855 -7.551 13.523 1.00 7.59 H new ATOM 0 HZ3 LYS A 47 -2.074 -6.522 12.421 1.00 7.59 H new ATOM 753 N PRO A 48 -4.761 -8.850 8.482 1.00 0.79 N ATOM 754 CA PRO A 48 -4.560 -9.825 7.378 1.00 0.85 C ATOM 755 C PRO A 48 -5.882 -10.239 6.709 1.00 1.05 C ATOM 756 O PRO A 48 -6.932 -10.216 7.326 1.00 1.17 O ATOM 757 CB PRO A 48 -3.860 -11.004 8.065 1.00 1.07 C ATOM 758 CG PRO A 48 -3.166 -10.399 9.300 1.00 1.24 C ATOM 759 CD PRO A 48 -4.079 -9.254 9.744 1.00 1.10 C ATOM 0 HA PRO A 48 -3.975 -9.410 6.557 1.00 0.85 H new ATOM 0 HB2 PRO A 48 -4.576 -11.773 8.353 1.00 1.07 H new ATOM 0 HB3 PRO A 48 -3.137 -11.475 7.399 1.00 1.07 H new ATOM 0 HG2 PRO A 48 -3.050 -11.140 10.090 1.00 1.24 H new ATOM 0 HG3 PRO A 48 -2.168 -10.036 9.054 1.00 1.24 H new ATOM 0 HD2 PRO A 48 -4.793 -9.579 10.501 1.00 1.10 H new ATOM 0 HD3 PRO A 48 -3.510 -8.430 10.175 1.00 1.10 H new ATOM 767 N HIS A 49 -5.780 -10.632 5.460 1.00 1.44 N ATOM 768 CA HIS A 49 -6.981 -11.066 4.675 1.00 1.89 C ATOM 769 C HIS A 49 -7.988 -9.912 4.584 1.00 1.98 C ATOM 770 O HIS A 49 -9.175 -10.078 4.801 1.00 2.28 O ATOM 771 CB HIS A 49 -7.624 -12.286 5.351 1.00 2.04 C ATOM 772 CG HIS A 49 -6.606 -13.354 5.754 1.00 1.61 C ATOM 773 ND1 HIS A 49 -5.658 -13.728 4.939 1.00 2.51 N ATOM 774 CD2 HIS A 49 -6.444 -14.079 6.904 1.00 1.89 C ATOM 775 CE1 HIS A 49 -4.928 -14.641 5.536 1.00 2.99 C ATOM 776 NE2 HIS A 49 -5.413 -14.851 6.735 1.00 2.26 N ATOM 0 H HIS A 49 -4.901 -10.671 4.944 1.00 1.44 H new ATOM 0 HA HIS A 49 -6.676 -11.342 3.666 1.00 1.89 H new ATOM 0 HB2 HIS A 49 -8.168 -11.958 6.237 1.00 2.04 H new ATOM 0 HB3 HIS A 49 -8.355 -12.727 4.673 1.00 2.04 H new ATOM 0 HD1 HIS A 49 -5.509 -13.370 3.995 1.00 2.51 H new ATOM 0 HD2 HIS A 49 -7.060 -14.020 7.789 1.00 1.89 H new ATOM 0 HE1 HIS A 49 -4.069 -15.137 5.109 1.00 2.99 H new ATOM 784 N SER A 50 -7.468 -8.770 4.229 1.00 1.87 N ATOM 785 CA SER A 50 -8.308 -7.540 4.095 1.00 2.17 C ATOM 786 C SER A 50 -8.359 -7.131 2.622 1.00 2.42 C ATOM 787 O SER A 50 -9.425 -6.982 2.046 1.00 4.30 O ATOM 788 CB SER A 50 -7.646 -6.444 4.927 1.00 1.78 C ATOM 789 OG SER A 50 -6.267 -6.548 4.570 1.00 2.28 O ATOM 0 H SER A 50 -6.479 -8.632 4.022 1.00 1.87 H new ATOM 0 HA SER A 50 -9.327 -7.712 4.443 1.00 2.17 H new ATOM 0 HB2 SER A 50 -8.050 -5.460 4.690 1.00 1.78 H new ATOM 0 HB3 SER A 50 -7.798 -6.602 5.995 1.00 1.78 H new ATOM 0 HG SER A 50 -5.751 -6.855 5.344 1.00 2.28 H new ATOM 795 N THR A 51 -7.179 -6.918 2.083 1.00 1.31 N ATOM 796 CA THR A 51 -6.971 -6.546 0.641 1.00 1.24 C ATOM 797 C THR A 51 -7.123 -5.027 0.442 1.00 1.07 C ATOM 798 O THR A 51 -8.118 -4.427 0.841 1.00 1.29 O ATOM 799 CB THR A 51 -7.976 -7.265 -0.254 1.00 1.84 C ATOM 800 OG1 THR A 51 -8.284 -8.504 0.377 1.00 2.46 O ATOM 801 CG2 THR A 51 -7.340 -7.678 -1.586 1.00 1.70 C ATOM 0 H THR A 51 -6.309 -6.991 2.611 1.00 1.31 H new ATOM 0 HA THR A 51 -5.960 -6.848 0.367 1.00 1.24 H new ATOM 0 HB THR A 51 -8.826 -6.602 -0.413 1.00 1.84 H new ATOM 0 HG1 THR A 51 -9.071 -8.393 0.950 1.00 2.46 H new ATOM 0 HG21 THR A 51 -8.082 -8.188 -2.201 1.00 1.70 H new ATOM 0 HG22 THR A 51 -6.983 -6.791 -2.109 1.00 1.70 H new ATOM 0 HG23 THR A 51 -6.502 -8.349 -1.397 1.00 1.70 H new ATOM 809 N VAL A 52 -6.179 -4.443 -0.253 1.00 0.94 N ATOM 810 CA VAL A 52 -6.241 -2.957 -0.464 1.00 0.96 C ATOM 811 C VAL A 52 -6.037 -2.560 -1.932 1.00 0.93 C ATOM 812 O VAL A 52 -5.118 -3.044 -2.571 1.00 1.03 O ATOM 813 CB VAL A 52 -5.125 -2.290 0.363 1.00 1.15 C ATOM 814 CG1 VAL A 52 -5.408 -0.787 0.504 1.00 2.10 C ATOM 815 CG2 VAL A 52 -5.016 -2.933 1.756 1.00 1.38 C ATOM 0 H VAL A 52 -5.381 -4.916 -0.677 1.00 0.94 H new ATOM 0 HA VAL A 52 -7.233 -2.628 -0.155 1.00 0.96 H new ATOM 0 HB VAL A 52 -4.178 -2.434 -0.158 1.00 1.15 H new ATOM 0 HG11 VAL A 52 -4.616 -0.321 1.090 1.00 2.10 H new ATOM 0 HG12 VAL A 52 -5.446 -0.330 -0.485 1.00 2.10 H new ATOM 0 HG13 VAL A 52 -6.364 -0.642 1.007 1.00 2.10 H new ATOM 0 HG21 VAL A 52 -4.221 -2.445 2.321 1.00 1.38 H new ATOM 0 HG22 VAL A 52 -5.962 -2.817 2.285 1.00 1.38 H new ATOM 0 HG23 VAL A 52 -4.788 -3.994 1.650 1.00 1.38 H new ATOM 825 N ASP A 53 -6.876 -1.674 -2.432 1.00 0.90 N ATOM 826 CA ASP A 53 -6.683 -1.217 -3.845 1.00 0.98 C ATOM 827 C ASP A 53 -6.181 0.235 -3.730 1.00 0.93 C ATOM 828 O ASP A 53 -6.610 0.951 -2.831 1.00 0.93 O ATOM 829 CB ASP A 53 -8.004 -1.269 -4.657 1.00 1.12 C ATOM 830 CG ASP A 53 -9.002 -2.274 -4.066 1.00 1.91 C ATOM 831 OD1 ASP A 53 -9.575 -1.935 -3.045 1.00 2.95 O ATOM 832 OD2 ASP A 53 -9.149 -3.321 -4.671 1.00 2.85 O ATOM 0 H ASP A 53 -7.664 -1.259 -1.935 1.00 0.90 H new ATOM 0 HA ASP A 53 -5.983 -1.863 -4.374 1.00 0.98 H new ATOM 0 HB2 ASP A 53 -8.457 -0.278 -4.677 1.00 1.12 H new ATOM 0 HB3 ASP A 53 -7.785 -1.540 -5.690 1.00 1.12 H new ATOM 837 N PHE A 54 -5.283 0.656 -4.600 1.00 1.11 N ATOM 838 CA PHE A 54 -4.759 2.053 -4.501 1.00 1.16 C ATOM 839 C PHE A 54 -4.584 2.714 -5.877 1.00 1.20 C ATOM 840 O PHE A 54 -4.640 2.061 -6.905 1.00 1.69 O ATOM 841 CB PHE A 54 -3.419 2.046 -3.728 1.00 1.52 C ATOM 842 CG PHE A 54 -2.329 1.191 -4.394 1.00 1.84 C ATOM 843 CD1 PHE A 54 -2.468 -0.181 -4.516 1.00 2.58 C ATOM 844 CD2 PHE A 54 -1.136 1.775 -4.783 1.00 2.13 C ATOM 845 CE1 PHE A 54 -1.433 -0.949 -5.011 1.00 3.42 C ATOM 846 CE2 PHE A 54 -0.102 1.002 -5.278 1.00 2.93 C ATOM 847 CZ PHE A 54 -0.251 -0.360 -5.392 1.00 3.54 C ATOM 0 H PHE A 54 -4.899 0.097 -5.362 1.00 1.11 H new ATOM 0 HA PHE A 54 -5.495 2.648 -3.961 1.00 1.16 H new ATOM 0 HB2 PHE A 54 -3.058 3.070 -3.633 1.00 1.52 H new ATOM 0 HB3 PHE A 54 -3.594 1.675 -2.718 1.00 1.52 H new ATOM 0 HD1 PHE A 54 -3.393 -0.654 -4.222 1.00 2.58 H new ATOM 0 HD2 PHE A 54 -1.012 2.845 -4.699 1.00 2.13 H new ATOM 0 HE1 PHE A 54 -1.553 -2.019 -5.099 1.00 3.42 H new ATOM 0 HE2 PHE A 54 0.825 1.469 -5.576 1.00 2.93 H new ATOM 0 HZ PHE A 54 0.556 -0.964 -5.779 1.00 3.54 H new ATOM 857 N ARG A 55 -4.383 4.009 -5.829 1.00 1.17 N ATOM 858 CA ARG A 55 -4.203 4.833 -7.062 1.00 1.40 C ATOM 859 C ARG A 55 -2.818 5.484 -7.069 1.00 1.47 C ATOM 860 O ARG A 55 -2.467 6.220 -6.154 1.00 1.93 O ATOM 861 CB ARG A 55 -5.266 5.940 -7.067 1.00 1.89 C ATOM 862 CG ARG A 55 -6.534 5.461 -7.778 1.00 2.89 C ATOM 863 CD ARG A 55 -7.706 6.373 -7.393 1.00 3.74 C ATOM 864 NE ARG A 55 -8.277 5.887 -6.098 1.00 4.89 N ATOM 865 CZ ARG A 55 -8.313 6.648 -5.048 1.00 5.72 C ATOM 866 NH1 ARG A 55 -8.916 7.796 -5.130 1.00 6.06 N ATOM 867 NH2 ARG A 55 -7.759 6.209 -3.967 1.00 6.88 N ATOM 0 H ARG A 55 -4.335 4.542 -4.961 1.00 1.17 H new ATOM 0 HA ARG A 55 -4.302 4.194 -7.940 1.00 1.40 H new ATOM 0 HB2 ARG A 55 -5.503 6.229 -6.043 1.00 1.89 H new ATOM 0 HB3 ARG A 55 -4.875 6.826 -7.566 1.00 1.89 H new ATOM 0 HG2 ARG A 55 -6.387 5.475 -8.858 1.00 2.89 H new ATOM 0 HG3 ARG A 55 -6.754 4.430 -7.500 1.00 2.89 H new ATOM 0 HD2 ARG A 55 -7.368 7.404 -7.295 1.00 3.74 H new ATOM 0 HD3 ARG A 55 -8.468 6.360 -8.172 1.00 3.74 H new ATOM 0 HE ARG A 55 -8.646 4.938 -6.040 1.00 4.89 H new ATOM 0 HH11 ARG A 55 -9.349 8.083 -6.008 1.00 6.06 H new ATOM 0 HH12 ARG A 55 -8.956 8.410 -4.317 1.00 6.06 H new ATOM 0 HH21 ARG A 55 -7.313 5.292 -3.959 1.00 6.88 H new ATOM 0 HH22 ARG A 55 -7.768 6.780 -3.122 1.00 6.88 H new ATOM 881 N VAL A 56 -2.077 5.217 -8.108 1.00 1.85 N ATOM 882 CA VAL A 56 -0.723 5.800 -8.212 1.00 2.38 C ATOM 883 C VAL A 56 -0.658 6.594 -9.513 1.00 2.14 C ATOM 884 O VAL A 56 -1.082 6.107 -10.549 1.00 2.83 O ATOM 885 CB VAL A 56 0.300 4.660 -8.216 1.00 3.66 C ATOM 886 CG1 VAL A 56 1.695 5.232 -7.979 1.00 4.99 C ATOM 887 CG2 VAL A 56 -0.029 3.662 -7.100 1.00 4.90 C ATOM 0 H VAL A 56 -2.356 4.620 -8.886 1.00 1.85 H new ATOM 0 HA VAL A 56 -0.503 6.461 -7.373 1.00 2.38 H new ATOM 0 HB VAL A 56 0.266 4.151 -9.179 1.00 3.66 H new ATOM 0 HG11 VAL A 56 2.425 4.423 -7.981 1.00 4.99 H new ATOM 0 HG12 VAL A 56 1.937 5.941 -8.771 1.00 4.99 H new ATOM 0 HG13 VAL A 56 1.721 5.741 -7.016 1.00 4.99 H new ATOM 0 HG21 VAL A 56 0.702 2.853 -7.108 1.00 4.90 H new ATOM 0 HG22 VAL A 56 0.003 4.170 -6.136 1.00 4.90 H new ATOM 0 HG23 VAL A 56 -1.026 3.251 -7.261 1.00 4.90 H new ATOM 897 N LYS A 57 -0.141 7.784 -9.416 1.00 1.94 N ATOM 898 CA LYS A 57 -0.015 8.683 -10.596 1.00 2.15 C ATOM 899 C LYS A 57 1.450 9.103 -10.737 1.00 2.05 C ATOM 900 O LYS A 57 2.189 9.104 -9.770 1.00 3.06 O ATOM 901 CB LYS A 57 -0.922 9.916 -10.391 1.00 2.59 C ATOM 902 CG LYS A 57 -0.679 10.503 -8.994 1.00 2.70 C ATOM 903 CD LYS A 57 -1.747 11.547 -8.630 1.00 3.13 C ATOM 904 CE LYS A 57 -1.793 11.694 -7.101 1.00 3.44 C ATOM 905 NZ LYS A 57 -0.422 11.901 -6.550 1.00 3.77 N ATOM 0 H LYS A 57 0.209 8.182 -8.545 1.00 1.94 H new ATOM 0 HA LYS A 57 -0.327 8.171 -11.506 1.00 2.15 H new ATOM 0 HB2 LYS A 57 -0.712 10.666 -11.154 1.00 2.59 H new ATOM 0 HB3 LYS A 57 -1.969 9.633 -10.501 1.00 2.59 H new ATOM 0 HG2 LYS A 57 -0.685 9.702 -8.255 1.00 2.70 H new ATOM 0 HG3 LYS A 57 0.309 10.963 -8.958 1.00 2.70 H new ATOM 0 HD2 LYS A 57 -1.513 12.505 -9.095 1.00 3.13 H new ATOM 0 HD3 LYS A 57 -2.721 11.239 -9.009 1.00 3.13 H new ATOM 0 HE2 LYS A 57 -2.430 12.536 -6.831 1.00 3.44 H new ATOM 0 HE3 LYS A 57 -2.238 10.803 -6.658 1.00 3.44 H new ATOM 0 HZ1 LYS A 57 -0.488 12.166 -5.546 1.00 3.77 H new ATOM 0 HZ2 LYS A 57 0.125 11.021 -6.641 1.00 3.77 H new ATOM 0 HZ3 LYS A 57 0.053 12.661 -7.078 1.00 3.77 H new ATOM 919 N ALA A 58 1.825 9.406 -11.948 1.00 2.15 N ATOM 920 CA ALA A 58 3.225 9.829 -12.285 1.00 2.15 C ATOM 921 C ALA A 58 4.099 10.258 -11.088 1.00 1.96 C ATOM 922 O ALA A 58 5.011 9.548 -10.697 1.00 2.51 O ATOM 923 CB ALA A 58 3.124 10.982 -13.286 1.00 2.56 C ATOM 0 H ALA A 58 1.198 9.378 -12.752 1.00 2.15 H new ATOM 0 HA ALA A 58 3.731 8.952 -12.690 1.00 2.15 H new ATOM 0 HB1 ALA A 58 4.125 11.318 -13.556 1.00 2.56 H new ATOM 0 HB2 ALA A 58 2.602 10.643 -14.180 1.00 2.56 H new ATOM 0 HB3 ALA A 58 2.573 11.808 -12.836 1.00 2.56 H new ATOM 929 N GLU A 59 3.803 11.414 -10.555 1.00 2.01 N ATOM 930 CA GLU A 59 4.591 11.971 -9.406 1.00 2.25 C ATOM 931 C GLU A 59 4.919 10.943 -8.310 1.00 1.94 C ATOM 932 O GLU A 59 6.046 10.900 -7.843 1.00 2.48 O ATOM 933 CB GLU A 59 3.847 13.173 -8.782 1.00 2.68 C ATOM 934 CG GLU A 59 2.324 12.961 -8.798 1.00 3.00 C ATOM 935 CD GLU A 59 1.749 13.448 -10.129 1.00 3.65 C ATOM 936 OE1 GLU A 59 1.860 14.637 -10.367 1.00 4.44 O ATOM 937 OE2 GLU A 59 1.252 12.596 -10.835 1.00 4.31 O ATOM 0 H GLU A 59 3.036 12.009 -10.870 1.00 2.01 H new ATOM 0 HA GLU A 59 5.545 12.286 -9.828 1.00 2.25 H new ATOM 0 HB2 GLU A 59 4.185 13.319 -7.756 1.00 2.68 H new ATOM 0 HB3 GLU A 59 4.095 14.081 -9.331 1.00 2.68 H new ATOM 0 HG2 GLU A 59 2.093 11.905 -8.656 1.00 3.00 H new ATOM 0 HG3 GLU A 59 1.863 13.503 -7.972 1.00 3.00 H new ATOM 944 N ASP A 60 3.957 10.149 -7.916 1.00 1.80 N ATOM 945 CA ASP A 60 4.221 9.150 -6.840 1.00 2.32 C ATOM 946 C ASP A 60 4.578 7.769 -7.399 1.00 1.79 C ATOM 947 O ASP A 60 5.119 6.973 -6.664 1.00 2.14 O ATOM 948 CB ASP A 60 2.992 9.036 -5.910 1.00 3.37 C ATOM 949 CG ASP A 60 1.695 9.192 -6.696 1.00 4.45 C ATOM 950 OD1 ASP A 60 1.413 10.321 -7.045 1.00 4.79 O ATOM 951 OD2 ASP A 60 1.052 8.185 -6.906 1.00 5.52 O ATOM 0 H ASP A 60 3.008 10.149 -8.290 1.00 1.80 H new ATOM 0 HA ASP A 60 5.083 9.506 -6.275 1.00 2.32 H new ATOM 0 HB2 ASP A 60 3.002 8.070 -5.406 1.00 3.37 H new ATOM 0 HB3 ASP A 60 3.046 9.801 -5.135 1.00 3.37 H new ATOM 956 N ILE A 61 4.286 7.506 -8.655 1.00 1.25 N ATOM 957 CA ILE A 61 4.632 6.160 -9.229 1.00 1.15 C ATOM 958 C ILE A 61 5.986 5.676 -8.731 1.00 0.97 C ATOM 959 O ILE A 61 6.080 4.680 -8.062 1.00 1.54 O ATOM 960 CB ILE A 61 4.651 6.229 -10.770 1.00 1.38 C ATOM 961 CG1 ILE A 61 3.201 6.214 -11.277 1.00 1.89 C ATOM 962 CG2 ILE A 61 5.409 5.021 -11.353 1.00 2.29 C ATOM 963 CD1 ILE A 61 3.171 6.208 -12.808 1.00 2.84 C ATOM 0 H ILE A 61 3.831 8.153 -9.299 1.00 1.25 H new ATOM 0 HA ILE A 61 3.869 5.454 -8.900 1.00 1.15 H new ATOM 0 HB ILE A 61 5.156 7.142 -11.086 1.00 1.38 H new ATOM 0 HG12 ILE A 61 2.684 5.334 -10.893 1.00 1.89 H new ATOM 0 HG13 ILE A 61 2.668 7.087 -10.900 1.00 1.89 H new ATOM 0 HG21 ILE A 61 5.413 5.085 -12.441 1.00 2.29 H new ATOM 0 HG22 ILE A 61 6.435 5.023 -10.985 1.00 2.29 H new ATOM 0 HG23 ILE A 61 4.916 4.099 -11.046 1.00 2.29 H new ATOM 0 HD11 ILE A 61 2.137 6.197 -13.152 1.00 2.84 H new ATOM 0 HD12 ILE A 61 3.669 7.101 -13.185 1.00 2.84 H new ATOM 0 HD13 ILE A 61 3.686 5.321 -13.179 1.00 2.84 H new ATOM 975 N LEU A 62 6.991 6.428 -9.050 1.00 1.04 N ATOM 976 CA LEU A 62 8.367 6.042 -8.650 1.00 1.17 C ATOM 977 C LEU A 62 8.466 5.688 -7.169 1.00 1.06 C ATOM 978 O LEU A 62 8.968 4.649 -6.825 1.00 1.20 O ATOM 979 CB LEU A 62 9.321 7.206 -8.944 1.00 1.57 C ATOM 980 CG LEU A 62 9.550 7.393 -10.458 1.00 2.40 C ATOM 981 CD1 LEU A 62 8.274 7.880 -11.164 1.00 3.58 C ATOM 982 CD2 LEU A 62 10.646 8.442 -10.653 1.00 3.58 C ATOM 0 H LEU A 62 6.921 7.300 -9.574 1.00 1.04 H new ATOM 0 HA LEU A 62 8.638 5.155 -9.224 1.00 1.17 H new ATOM 0 HB2 LEU A 62 8.914 8.125 -8.522 1.00 1.57 H new ATOM 0 HB3 LEU A 62 10.277 7.026 -8.452 1.00 1.57 H new ATOM 0 HG LEU A 62 9.835 6.433 -10.888 1.00 2.40 H new ATOM 0 HD11 LEU A 62 8.471 8.001 -12.229 1.00 3.58 H new ATOM 0 HD12 LEU A 62 7.478 7.148 -11.023 1.00 3.58 H new ATOM 0 HD13 LEU A 62 7.966 8.836 -10.741 1.00 3.58 H new ATOM 0 HD21 LEU A 62 10.823 8.589 -11.718 1.00 3.58 H new ATOM 0 HD22 LEU A 62 10.332 9.384 -10.204 1.00 3.58 H new ATOM 0 HD23 LEU A 62 11.565 8.101 -10.176 1.00 3.58 H new ATOM 994 N ALA A 63 7.973 6.548 -6.325 1.00 1.12 N ATOM 995 CA ALA A 63 8.075 6.266 -4.859 1.00 1.18 C ATOM 996 C ALA A 63 7.208 5.086 -4.434 1.00 0.97 C ATOM 997 O ALA A 63 7.616 4.271 -3.636 1.00 1.11 O ATOM 998 CB ALA A 63 7.649 7.513 -4.082 1.00 1.53 C ATOM 0 H ALA A 63 7.510 7.422 -6.576 1.00 1.12 H new ATOM 0 HA ALA A 63 9.111 6.006 -4.641 1.00 1.18 H new ATOM 0 HB1 ALA A 63 7.720 7.317 -3.012 1.00 1.53 H new ATOM 0 HB2 ALA A 63 8.303 8.345 -4.343 1.00 1.53 H new ATOM 0 HB3 ALA A 63 6.620 7.767 -4.337 1.00 1.53 H new ATOM 1004 N VAL A 64 6.032 5.018 -4.968 1.00 0.95 N ATOM 1005 CA VAL A 64 5.121 3.907 -4.594 1.00 0.87 C ATOM 1006 C VAL A 64 5.682 2.585 -5.110 1.00 0.70 C ATOM 1007 O VAL A 64 5.731 1.616 -4.372 1.00 0.76 O ATOM 1008 CB VAL A 64 3.754 4.210 -5.204 1.00 0.97 C ATOM 1009 CG1 VAL A 64 2.743 3.135 -4.789 1.00 1.19 C ATOM 1010 CG2 VAL A 64 3.283 5.566 -4.675 1.00 1.20 C ATOM 0 H VAL A 64 5.658 5.681 -5.647 1.00 0.95 H new ATOM 0 HA VAL A 64 5.027 3.819 -3.512 1.00 0.87 H new ATOM 0 HB VAL A 64 3.831 4.224 -6.291 1.00 0.97 H new ATOM 0 HG11 VAL A 64 1.771 3.360 -5.229 1.00 1.19 H new ATOM 0 HG12 VAL A 64 3.083 2.161 -5.140 1.00 1.19 H new ATOM 0 HG13 VAL A 64 2.654 3.119 -3.703 1.00 1.19 H new ATOM 0 HG21 VAL A 64 2.307 5.803 -5.099 1.00 1.20 H new ATOM 0 HG22 VAL A 64 3.207 5.526 -3.588 1.00 1.20 H new ATOM 0 HG23 VAL A 64 3.999 6.337 -4.961 1.00 1.20 H new ATOM 1020 N GLU A 65 6.098 2.570 -6.353 1.00 0.65 N ATOM 1021 CA GLU A 65 6.671 1.316 -6.906 1.00 0.73 C ATOM 1022 C GLU A 65 7.961 1.052 -6.109 1.00 0.80 C ATOM 1023 O GLU A 65 8.146 -0.024 -5.565 1.00 0.89 O ATOM 1024 CB GLU A 65 6.934 1.503 -8.417 1.00 0.88 C ATOM 1025 CG GLU A 65 5.588 1.697 -9.175 1.00 1.17 C ATOM 1026 CD GLU A 65 5.820 1.924 -10.687 1.00 1.77 C ATOM 1027 OE1 GLU A 65 6.930 2.300 -11.023 1.00 2.91 O ATOM 1028 OE2 GLU A 65 4.865 1.740 -11.435 1.00 2.37 O ATOM 0 H GLU A 65 6.064 3.361 -6.996 1.00 0.65 H new ATOM 0 HA GLU A 65 6.001 0.462 -6.811 1.00 0.73 H new ATOM 0 HB2 GLU A 65 7.578 2.367 -8.578 1.00 0.88 H new ATOM 0 HB3 GLU A 65 7.461 0.635 -8.812 1.00 0.88 H new ATOM 0 HG2 GLU A 65 4.957 0.820 -9.030 1.00 1.17 H new ATOM 0 HG3 GLU A 65 5.052 2.548 -8.756 1.00 1.17 H new ATOM 1035 N ASP A 66 8.797 2.066 -6.022 1.00 0.85 N ATOM 1036 CA ASP A 66 10.063 1.943 -5.234 1.00 1.00 C ATOM 1037 C ASP A 66 9.729 1.304 -3.886 1.00 0.88 C ATOM 1038 O ASP A 66 10.126 0.200 -3.597 1.00 0.92 O ATOM 1039 CB ASP A 66 10.629 3.358 -5.020 1.00 1.13 C ATOM 1040 CG ASP A 66 11.640 3.378 -3.883 1.00 1.78 C ATOM 1041 OD1 ASP A 66 12.799 3.126 -4.167 1.00 1.89 O ATOM 1042 OD2 ASP A 66 11.188 3.625 -2.778 1.00 2.98 O ATOM 0 H ASP A 66 8.653 2.973 -6.465 1.00 0.85 H new ATOM 0 HA ASP A 66 10.797 1.328 -5.755 1.00 1.00 H new ATOM 0 HB2 ASP A 66 11.103 3.706 -5.938 1.00 1.13 H new ATOM 0 HB3 ASP A 66 9.815 4.049 -4.799 1.00 1.13 H new ATOM 1047 N PHE A 67 8.982 2.038 -3.114 1.00 0.78 N ATOM 1048 CA PHE A 67 8.551 1.573 -1.769 1.00 0.74 C ATOM 1049 C PHE A 67 8.063 0.125 -1.836 1.00 0.74 C ATOM 1050 O PHE A 67 8.649 -0.747 -1.225 1.00 0.92 O ATOM 1051 CB PHE A 67 7.423 2.485 -1.265 1.00 0.72 C ATOM 1052 CG PHE A 67 7.096 2.125 0.192 1.00 0.74 C ATOM 1053 CD1 PHE A 67 6.256 1.066 0.467 1.00 0.66 C ATOM 1054 CD2 PHE A 67 7.692 2.795 1.248 1.00 1.02 C ATOM 1055 CE1 PHE A 67 6.025 0.673 1.765 1.00 0.72 C ATOM 1056 CE2 PHE A 67 7.457 2.396 2.551 1.00 1.00 C ATOM 1057 CZ PHE A 67 6.626 1.327 2.806 1.00 0.77 C ATOM 0 H PHE A 67 8.643 2.966 -3.366 1.00 0.78 H new ATOM 0 HA PHE A 67 9.396 1.617 -1.083 1.00 0.74 H new ATOM 0 HB2 PHE A 67 7.725 3.530 -1.335 1.00 0.72 H new ATOM 0 HB3 PHE A 67 6.537 2.367 -1.889 1.00 0.72 H new ATOM 0 HD1 PHE A 67 5.775 0.540 -0.345 1.00 0.66 H new ATOM 0 HD2 PHE A 67 8.344 3.634 1.052 1.00 1.02 H new ATOM 0 HE1 PHE A 67 5.364 -0.158 1.964 1.00 0.72 H new ATOM 0 HE2 PHE A 67 7.925 2.923 3.369 1.00 1.00 H new ATOM 0 HZ PHE A 67 6.450 1.007 3.822 1.00 0.77 H new ATOM 1067 N LEU A 68 7.010 -0.104 -2.586 1.00 0.74 N ATOM 1068 CA LEU A 68 6.463 -1.493 -2.709 1.00 0.78 C ATOM 1069 C LEU A 68 7.554 -2.485 -3.110 1.00 0.84 C ATOM 1070 O LEU A 68 7.464 -3.653 -2.762 1.00 1.06 O ATOM 1071 CB LEU A 68 5.366 -1.542 -3.787 1.00 0.86 C ATOM 1072 CG LEU A 68 4.120 -0.757 -3.342 1.00 0.86 C ATOM 1073 CD1 LEU A 68 3.201 -0.561 -4.554 1.00 1.05 C ATOM 1074 CD2 LEU A 68 3.348 -1.560 -2.285 1.00 1.04 C ATOM 0 H LEU A 68 6.508 0.608 -3.116 1.00 0.74 H new ATOM 0 HA LEU A 68 6.058 -1.765 -1.734 1.00 0.78 H new ATOM 0 HB2 LEU A 68 5.748 -1.126 -4.719 1.00 0.86 H new ATOM 0 HB3 LEU A 68 5.095 -2.578 -3.988 1.00 0.86 H new ATOM 0 HG LEU A 68 4.429 0.202 -2.927 1.00 0.86 H new ATOM 0 HD11 LEU A 68 2.313 -0.005 -4.251 1.00 1.05 H new ATOM 0 HD12 LEU A 68 3.732 -0.005 -5.327 1.00 1.05 H new ATOM 0 HD13 LEU A 68 2.904 -1.534 -4.946 1.00 1.05 H new ATOM 0 HD21 LEU A 68 2.467 -0.999 -1.974 1.00 1.04 H new ATOM 0 HD22 LEU A 68 3.039 -2.516 -2.708 1.00 1.04 H new ATOM 0 HD23 LEU A 68 3.990 -1.736 -1.422 1.00 1.04 H new ATOM 1086 N GLU A 69 8.546 -1.996 -3.812 1.00 0.96 N ATOM 1087 CA GLU A 69 9.653 -2.876 -4.291 1.00 1.08 C ATOM 1088 C GLU A 69 10.776 -2.993 -3.247 1.00 1.16 C ATOM 1089 O GLU A 69 10.933 -4.037 -2.655 1.00 1.27 O ATOM 1090 CB GLU A 69 10.207 -2.268 -5.594 1.00 1.20 C ATOM 1091 CG GLU A 69 11.120 -3.269 -6.318 1.00 1.64 C ATOM 1092 CD GLU A 69 11.801 -2.574 -7.507 1.00 2.76 C ATOM 1093 OE1 GLU A 69 12.732 -1.828 -7.239 1.00 4.11 O ATOM 1094 OE2 GLU A 69 11.346 -2.815 -8.613 1.00 3.14 O ATOM 0 H GLU A 69 8.636 -1.015 -4.075 1.00 0.96 H new ATOM 0 HA GLU A 69 9.267 -3.881 -4.462 1.00 1.08 H new ATOM 0 HB2 GLU A 69 9.382 -1.983 -6.247 1.00 1.20 H new ATOM 0 HB3 GLU A 69 10.764 -1.358 -5.368 1.00 1.20 H new ATOM 0 HG2 GLU A 69 11.872 -3.656 -5.630 1.00 1.64 H new ATOM 0 HG3 GLU A 69 10.538 -4.122 -6.666 1.00 1.64 H new ATOM 1101 N GLN A 70 11.509 -1.929 -3.015 1.00 1.19 N ATOM 1102 CA GLN A 70 12.629 -1.997 -2.021 1.00 1.29 C ATOM 1103 C GLN A 70 12.176 -2.520 -0.647 1.00 1.58 C ATOM 1104 O GLN A 70 13.007 -2.967 0.126 1.00 1.93 O ATOM 1105 CB GLN A 70 13.322 -0.624 -1.859 1.00 1.60 C ATOM 1106 CG GLN A 70 12.332 0.491 -1.496 1.00 2.00 C ATOM 1107 CD GLN A 70 13.096 1.599 -0.760 1.00 2.68 C ATOM 1108 OE1 GLN A 70 13.280 2.749 -1.324 1.00 3.15 O flip ATOM 1109 NE2 GLN A 70 13.558 1.414 0.344 1.00 3.12 N flip ATOM 0 H GLN A 70 11.382 -1.023 -3.467 1.00 1.19 H new ATOM 0 HA GLN A 70 13.345 -2.713 -2.425 1.00 1.29 H new ATOM 0 HB2 GLN A 70 14.086 -0.695 -1.085 1.00 1.60 H new ATOM 0 HB3 GLN A 70 13.832 -0.366 -2.787 1.00 1.60 H new ATOM 0 HG2 GLN A 70 11.862 0.888 -2.396 1.00 2.00 H new ATOM 0 HG3 GLN A 70 11.534 0.099 -0.866 1.00 2.00 H new ATOM 0 HE21 GLN A 70 13.426 0.515 0.808 1.00 3.12 H new ATOM 0 HE22 GLN A 70 14.079 2.157 0.810 1.00 3.12 H new ATOM 1118 N ASN A 71 10.898 -2.435 -0.341 1.00 1.57 N ATOM 1119 CA ASN A 71 10.441 -2.960 0.985 1.00 1.94 C ATOM 1120 C ASN A 71 9.788 -4.334 0.808 1.00 1.75 C ATOM 1121 O ASN A 71 9.105 -4.820 1.683 1.00 1.91 O ATOM 1122 CB ASN A 71 9.429 -1.990 1.587 1.00 2.11 C ATOM 1123 CG ASN A 71 10.067 -0.619 1.765 1.00 2.43 C ATOM 1124 OD1 ASN A 71 11.249 -0.488 1.990 1.00 3.33 O ATOM 1125 ND2 ASN A 71 9.320 0.434 1.670 1.00 2.39 N ATOM 0 H ASN A 71 10.172 -2.036 -0.936 1.00 1.57 H new ATOM 0 HA ASN A 71 11.300 -3.058 1.649 1.00 1.94 H new ATOM 0 HB2 ASN A 71 8.556 -1.913 0.939 1.00 2.11 H new ATOM 0 HB3 ASN A 71 9.080 -2.366 2.549 1.00 2.11 H new ATOM 0 HD21 ASN A 71 9.729 1.361 1.784 1.00 2.39 H new ATOM 0 HD22 ASN A 71 8.323 0.336 1.481 1.00 2.39 H new ATOM 1132 N GLU A 72 10.071 -4.932 -0.316 1.00 1.67 N ATOM 1133 CA GLU A 72 9.521 -6.279 -0.667 1.00 1.77 C ATOM 1134 C GLU A 72 8.086 -6.496 -0.179 1.00 1.50 C ATOM 1135 O GLU A 72 7.809 -7.413 0.576 1.00 1.85 O ATOM 1136 CB GLU A 72 10.448 -7.354 -0.076 1.00 2.44 C ATOM 1137 CG GLU A 72 11.644 -7.559 -1.014 1.00 3.45 C ATOM 1138 CD GLU A 72 11.185 -8.331 -2.256 1.00 3.41 C ATOM 1139 OE1 GLU A 72 11.207 -9.548 -2.173 1.00 3.69 O ATOM 1140 OE2 GLU A 72 10.801 -7.662 -3.199 1.00 4.23 O ATOM 0 H GLU A 72 10.680 -4.532 -1.030 1.00 1.67 H new ATOM 0 HA GLU A 72 9.483 -6.348 -1.754 1.00 1.77 H new ATOM 0 HB2 GLU A 72 10.793 -7.050 0.912 1.00 2.44 H new ATOM 0 HB3 GLU A 72 9.905 -8.290 0.050 1.00 2.44 H new ATOM 0 HG2 GLU A 72 12.063 -6.595 -1.304 1.00 3.45 H new ATOM 0 HG3 GLU A 72 12.434 -8.108 -0.501 1.00 3.45 H new ATOM 1147 N LEU A 73 7.193 -5.677 -0.660 1.00 1.06 N ATOM 1148 CA LEU A 73 5.771 -5.827 -0.251 1.00 0.91 C ATOM 1149 C LEU A 73 5.112 -6.755 -1.256 1.00 1.21 C ATOM 1150 O LEU A 73 5.689 -7.056 -2.289 1.00 2.55 O ATOM 1151 CB LEU A 73 5.073 -4.455 -0.274 1.00 0.87 C ATOM 1152 CG LEU A 73 5.118 -3.806 1.120 1.00 1.06 C ATOM 1153 CD1 LEU A 73 6.547 -3.834 1.648 1.00 1.88 C ATOM 1154 CD2 LEU A 73 4.656 -2.349 1.037 1.00 2.11 C ATOM 0 H LEU A 73 7.385 -4.917 -1.313 1.00 1.06 H new ATOM 0 HA LEU A 73 5.698 -6.231 0.759 1.00 0.91 H new ATOM 0 HB2 LEU A 73 5.560 -3.805 -1.001 1.00 0.87 H new ATOM 0 HB3 LEU A 73 4.038 -4.572 -0.594 1.00 0.87 H new ATOM 0 HG LEU A 73 4.459 -4.362 1.787 1.00 1.06 H new ATOM 0 HD11 LEU A 73 6.579 -3.374 2.636 1.00 1.88 H new ATOM 0 HD12 LEU A 73 6.889 -4.867 1.717 1.00 1.88 H new ATOM 0 HD13 LEU A 73 7.197 -3.281 0.969 1.00 1.88 H new ATOM 0 HD21 LEU A 73 4.692 -1.899 2.029 1.00 2.11 H new ATOM 0 HD22 LEU A 73 5.312 -1.797 0.364 1.00 2.11 H new ATOM 0 HD23 LEU A 73 3.635 -2.312 0.658 1.00 2.11 H new ATOM 1166 N GLN A 74 3.925 -7.185 -0.956 1.00 0.80 N ATOM 1167 CA GLN A 74 3.241 -8.103 -1.904 1.00 0.87 C ATOM 1168 C GLN A 74 2.096 -7.387 -2.625 1.00 0.78 C ATOM 1169 O GLN A 74 0.981 -7.334 -2.148 1.00 1.02 O ATOM 1170 CB GLN A 74 2.740 -9.316 -1.110 1.00 1.07 C ATOM 1171 CG GLN A 74 3.922 -10.275 -0.852 1.00 1.71 C ATOM 1172 CD GLN A 74 5.024 -9.587 -0.026 1.00 3.05 C ATOM 1173 OE1 GLN A 74 4.839 -9.269 1.125 1.00 4.11 O ATOM 1174 NE2 GLN A 74 6.176 -9.343 -0.574 1.00 4.24 N ATOM 0 H GLN A 74 3.404 -6.948 -0.112 1.00 0.80 H new ATOM 0 HA GLN A 74 3.934 -8.435 -2.677 1.00 0.87 H new ATOM 0 HB2 GLN A 74 2.305 -8.993 -0.164 1.00 1.07 H new ATOM 0 HB3 GLN A 74 1.954 -9.829 -1.664 1.00 1.07 H new ATOM 0 HG2 GLN A 74 3.567 -11.161 -0.325 1.00 1.71 H new ATOM 0 HG3 GLN A 74 4.334 -10.614 -1.803 1.00 1.71 H new ATOM 0 HE21 GLN A 74 6.345 -9.606 -1.545 1.00 4.24 H new ATOM 0 HE22 GLN A 74 6.912 -8.888 -0.034 1.00 4.24 H new ATOM 1183 N TYR A 75 2.406 -6.848 -3.773 1.00 0.86 N ATOM 1184 CA TYR A 75 1.372 -6.118 -4.581 1.00 0.89 C ATOM 1185 C TYR A 75 0.999 -6.948 -5.815 1.00 0.99 C ATOM 1186 O TYR A 75 1.776 -7.773 -6.244 1.00 1.02 O ATOM 1187 CB TYR A 75 1.958 -4.770 -5.036 1.00 1.05 C ATOM 1188 CG TYR A 75 3.397 -4.983 -5.536 1.00 0.99 C ATOM 1189 CD1 TYR A 75 4.443 -5.074 -4.635 1.00 1.02 C ATOM 1190 CD2 TYR A 75 3.663 -5.148 -6.882 1.00 1.35 C ATOM 1191 CE1 TYR A 75 5.726 -5.331 -5.068 1.00 1.25 C ATOM 1192 CE2 TYR A 75 4.953 -5.399 -7.315 1.00 1.56 C ATOM 1193 CZ TYR A 75 5.991 -5.498 -6.411 1.00 1.46 C ATOM 1194 OH TYR A 75 7.270 -5.771 -6.849 1.00 1.86 O ATOM 0 H TYR A 75 3.335 -6.879 -4.193 1.00 0.86 H new ATOM 0 HA TYR A 75 0.481 -5.955 -3.974 1.00 0.89 H new ATOM 0 HB2 TYR A 75 1.345 -4.343 -5.830 1.00 1.05 H new ATOM 0 HB3 TYR A 75 1.950 -4.059 -4.210 1.00 1.05 H new ATOM 0 HD1 TYR A 75 4.252 -4.942 -3.580 1.00 1.02 H new ATOM 0 HD2 TYR A 75 2.859 -5.081 -7.600 1.00 1.35 H new ATOM 0 HE1 TYR A 75 6.530 -5.402 -4.350 1.00 1.25 H new ATOM 0 HE2 TYR A 75 5.149 -5.519 -8.370 1.00 1.56 H new ATOM 0 HH TYR A 75 7.270 -5.858 -7.825 1.00 1.86 H new ATOM 1204 N GLU A 76 -0.161 -6.695 -6.377 1.00 1.16 N ATOM 1205 CA GLU A 76 -0.596 -7.467 -7.592 1.00 1.42 C ATOM 1206 C GLU A 76 -0.982 -6.509 -8.722 1.00 1.52 C ATOM 1207 O GLU A 76 -1.426 -5.394 -8.473 1.00 1.58 O ATOM 1208 CB GLU A 76 -1.810 -8.348 -7.221 1.00 1.54 C ATOM 1209 CG GLU A 76 -2.511 -8.924 -8.479 1.00 2.10 C ATOM 1210 CD GLU A 76 -1.543 -9.805 -9.286 1.00 3.24 C ATOM 1211 OE1 GLU A 76 -0.994 -10.701 -8.676 1.00 4.06 O ATOM 1212 OE2 GLU A 76 -1.412 -9.527 -10.468 1.00 4.48 O ATOM 0 H GLU A 76 -0.824 -5.992 -6.051 1.00 1.16 H new ATOM 0 HA GLU A 76 0.228 -8.093 -7.933 1.00 1.42 H new ATOM 0 HB2 GLU A 76 -1.482 -9.167 -6.581 1.00 1.54 H new ATOM 0 HB3 GLU A 76 -2.524 -7.759 -6.645 1.00 1.54 H new ATOM 0 HG2 GLU A 76 -3.381 -9.510 -8.181 1.00 2.10 H new ATOM 0 HG3 GLU A 76 -2.875 -8.108 -9.104 1.00 2.10 H new ATOM 1219 N VAL A 77 -0.805 -6.977 -9.927 1.00 1.74 N ATOM 1220 CA VAL A 77 -1.149 -6.179 -11.131 1.00 2.06 C ATOM 1221 C VAL A 77 -1.938 -7.113 -12.058 1.00 2.53 C ATOM 1222 O VAL A 77 -1.460 -7.523 -13.092 1.00 2.96 O ATOM 1223 CB VAL A 77 0.140 -5.684 -11.812 1.00 2.10 C ATOM 1224 CG1 VAL A 77 -0.195 -4.555 -12.805 1.00 2.26 C ATOM 1225 CG2 VAL A 77 1.111 -5.168 -10.739 1.00 2.20 C ATOM 0 H VAL A 77 -0.427 -7.903 -10.129 1.00 1.74 H new ATOM 0 HA VAL A 77 -1.741 -5.299 -10.880 1.00 2.06 H new ATOM 0 HB VAL A 77 0.605 -6.505 -12.357 1.00 2.10 H new ATOM 0 HG11 VAL A 77 0.721 -4.208 -13.284 1.00 2.26 H new ATOM 0 HG12 VAL A 77 -0.882 -4.930 -13.564 1.00 2.26 H new ATOM 0 HG13 VAL A 77 -0.661 -3.727 -12.271 1.00 2.26 H new ATOM 0 HG21 VAL A 77 2.026 -4.816 -11.215 1.00 2.20 H new ATOM 0 HG22 VAL A 77 0.647 -4.347 -10.193 1.00 2.20 H new ATOM 0 HG23 VAL A 77 1.350 -5.975 -10.046 1.00 2.20 H new