USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 10 THR OG1 : rot 32:sc= 0.133 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0337 (180deg=-0.342) USER MOD Single : A 15 MET CE :methyl -141:sc= -0.415 (180deg=-1.86) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.7!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.2) USER MOD Single : A 61 THR OG1 : rot -98:sc= 0.027 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.319 12.655 -1.332 1.00 0.00 N ATOM 94 CA THR A 10 0.326 11.717 -0.822 1.00 0.00 C ATOM 95 C THR A 10 0.968 10.387 -0.447 1.00 0.00 C ATOM 96 O THR A 10 1.858 9.896 -1.142 1.00 0.00 O ATOM 97 CB THR A 10 -0.789 11.463 -1.855 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.359 12.707 -2.276 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.876 10.574 -1.270 1.00 0.00 C ATOM 0 HA THR A 10 -0.110 12.171 0.068 1.00 0.00 H new ATOM 0 HB THR A 10 -0.350 10.956 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.670 13.404 -2.262 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.652 10.409 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.445 9.617 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.311 11.059 -0.396 1.00 0.00 H new ATOM 107 N LYS A 11 0.511 9.806 0.657 1.00 0.00 N ATOM 108 CA LYS A 11 1.039 8.530 1.125 1.00 0.00 C ATOM 109 C LYS A 11 -0.093 7.566 1.469 1.00 0.00 C ATOM 110 O LYS A 11 -1.155 7.981 1.930 1.00 0.00 O ATOM 111 CB LYS A 11 1.931 8.742 2.350 1.00 0.00 C ATOM 112 CG LYS A 11 3.101 9.677 2.095 1.00 0.00 C ATOM 113 CD LYS A 11 4.132 9.595 3.208 1.00 0.00 C ATOM 114 CE LYS A 11 5.143 10.728 3.116 1.00 0.00 C ATOM 115 NZ LYS A 11 4.518 12.052 3.387 1.00 0.00 N ATOM 0 H LYS A 11 -0.224 10.199 1.245 1.00 0.00 H new ATOM 0 HA LYS A 11 1.633 8.095 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.327 9.143 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.313 7.777 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.570 9.424 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.738 10.701 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.629 9.632 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.651 8.638 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.949 10.554 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.592 10.735 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.259 12.745 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.996 12.369 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.862 11.968 4.189 1.00 0.00 H new ATOM 129 N ALA A 12 0.144 6.278 1.242 1.00 0.00 N ATOM 130 CA ALA A 12 -0.854 5.256 1.530 1.00 0.00 C ATOM 131 C ALA A 12 -0.282 4.171 2.436 1.00 0.00 C ATOM 132 O ALA A 12 0.905 3.853 2.367 1.00 0.00 O ATOM 133 CB ALA A 12 -1.374 4.646 0.237 1.00 0.00 C ATOM 0 H ALA A 12 1.018 5.918 0.860 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.684 5.731 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.119 3.884 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.829 5.425 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.547 4.192 -0.309 1.00 0.00 H new ATOM 139 N ARG A 13 -1.134 3.606 3.286 1.00 0.00 N ATOM 140 CA ARG A 13 -0.712 2.557 4.207 1.00 0.00 C ATOM 141 C ARG A 13 -1.141 1.184 3.701 1.00 0.00 C ATOM 142 O ARG A 13 -2.252 1.015 3.199 1.00 0.00 O ATOM 143 CB ARG A 13 -1.297 2.806 5.599 1.00 0.00 C ATOM 144 CG ARG A 13 -0.495 2.166 6.720 1.00 0.00 C ATOM 145 CD ARG A 13 -0.951 2.662 8.084 1.00 0.00 C ATOM 146 NE ARG A 13 -2.138 1.954 8.555 1.00 0.00 N ATOM 147 CZ ARG A 13 -2.622 2.069 9.787 1.00 0.00 C ATOM 148 NH1 ARG A 13 -2.024 2.861 10.666 1.00 0.00 N ATOM 149 NH2 ARG A 13 -3.707 1.392 10.141 1.00 0.00 N ATOM 0 H ARG A 13 -2.120 3.857 3.356 1.00 0.00 H new ATOM 0 HA ARG A 13 0.376 2.578 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.355 3.881 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.317 2.423 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.601 1.082 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.563 2.389 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.143 2.535 8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.164 3.730 8.029 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.622 1.337 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.190 3.384 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.397 2.948 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.170 0.783 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.078 1.481 11.087 1.00 0.00 H new ATOM 163 N VAL A 14 -0.252 0.205 3.836 1.00 0.00 N ATOM 164 CA VAL A 14 -0.538 -1.155 3.393 1.00 0.00 C ATOM 165 C VAL A 14 -1.299 -1.932 4.461 1.00 0.00 C ATOM 166 O VAL A 14 -0.947 -1.893 5.640 1.00 0.00 O ATOM 167 CB VAL A 14 0.754 -1.915 3.042 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.430 -3.302 2.509 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.579 -1.127 2.036 1.00 0.00 C ATOM 0 H VAL A 14 0.673 0.328 4.249 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.156 -1.073 2.499 1.00 0.00 H new ATOM 0 HB VAL A 14 1.345 -2.031 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.356 -3.824 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.116 -3.864 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.182 -3.213 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.489 -1.679 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.998 -0.978 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.843 -0.158 2.461 1.00 0.00 H new ATOM 179 N MET A 15 -2.342 -2.639 4.040 1.00 0.00 N ATOM 180 CA MET A 15 -3.152 -3.428 4.962 1.00 0.00 C ATOM 181 C MET A 15 -2.752 -4.899 4.914 1.00 0.00 C ATOM 182 O MET A 15 -2.833 -5.607 5.918 1.00 0.00 O ATOM 183 CB MET A 15 -4.637 -3.280 4.625 1.00 0.00 C ATOM 184 CG MET A 15 -5.068 -1.839 4.401 1.00 0.00 C ATOM 185 SD MET A 15 -6.819 -1.578 4.743 1.00 0.00 S ATOM 186 CE MET A 15 -7.460 -1.366 3.084 1.00 0.00 C ATOM 0 H MET A 15 -2.647 -2.682 3.067 1.00 0.00 H new ATOM 0 HA MET A 15 -2.977 -3.055 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.858 -3.860 3.729 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.229 -3.706 5.435 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.475 -1.183 5.039 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.857 -1.557 3.370 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.222 -0.586 3.085 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.649 -1.080 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.900 -2.303 2.741 1.00 0.00 H new ATOM 196 N TYR A 16 -2.322 -5.353 3.741 1.00 0.00 N ATOM 197 CA TYR A 16 -1.913 -6.741 3.562 1.00 0.00 C ATOM 198 C TYR A 16 -0.711 -6.838 2.628 1.00 0.00 C ATOM 199 O TYR A 16 -0.703 -6.252 1.545 1.00 0.00 O ATOM 200 CB TYR A 16 -3.073 -7.569 3.007 1.00 0.00 C ATOM 201 CG TYR A 16 -4.416 -7.200 3.595 1.00 0.00 C ATOM 202 CD1 TYR A 16 -5.179 -6.176 3.047 1.00 0.00 C ATOM 203 CD2 TYR A 16 -4.923 -7.875 4.699 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.406 -5.835 3.581 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.150 -7.542 5.238 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.888 -6.521 4.676 1.00 0.00 C ATOM 207 OH TYR A 16 -8.110 -6.186 5.212 1.00 0.00 O ATOM 0 H TYR A 16 -2.248 -4.780 2.901 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.626 -7.137 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.113 -7.444 1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.879 -8.624 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.806 -5.637 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.347 -8.674 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.985 -5.035 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.530 -8.078 6.095 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.302 -6.767 5.978 1.00 0.00 H new ATOM 217 N ASP A 17 0.303 -7.582 3.055 1.00 0.00 N ATOM 218 CA ASP A 17 1.511 -7.759 2.258 1.00 0.00 C ATOM 219 C ASP A 17 1.164 -8.154 0.826 1.00 0.00 C ATOM 220 O ASP A 17 0.639 -9.240 0.581 1.00 0.00 O ATOM 221 CB ASP A 17 2.414 -8.820 2.889 1.00 0.00 C ATOM 222 CG ASP A 17 1.661 -10.090 3.234 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.760 -10.030 4.097 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.971 -11.143 2.640 1.00 0.00 O ATOM 0 H ASP A 17 0.312 -8.073 3.949 1.00 0.00 H new ATOM 0 HA ASP A 17 2.044 -6.808 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.226 -9.058 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.870 -8.415 3.792 1.00 0.00 H new ATOM 229 N PHE A 18 1.460 -7.265 -0.116 1.00 0.00 N ATOM 230 CA PHE A 18 1.178 -7.520 -1.524 1.00 0.00 C ATOM 231 C PHE A 18 2.466 -7.776 -2.300 1.00 0.00 C ATOM 232 O PHE A 18 3.442 -7.039 -2.163 1.00 0.00 O ATOM 233 CB PHE A 18 0.425 -6.338 -2.137 1.00 0.00 C ATOM 234 CG PHE A 18 0.249 -6.446 -3.625 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.483 -7.486 -4.175 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.815 -5.508 -4.474 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.648 -7.589 -5.544 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.653 -5.605 -5.843 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.078 -6.648 -6.379 1.00 0.00 C ATOM 0 H PHE A 18 1.895 -6.361 0.070 1.00 0.00 H new ATOM 0 HA PHE A 18 0.554 -8.412 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.556 -6.260 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.962 -5.417 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.930 -8.225 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.389 -4.692 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.222 -8.404 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.097 -4.866 -6.493 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.203 -6.727 -7.449 1.00 0.00 H new ATOM 249 N ALA A 19 2.461 -8.826 -3.115 1.00 0.00 N ATOM 250 CA ALA A 19 3.628 -9.178 -3.914 1.00 0.00 C ATOM 251 C ALA A 19 3.347 -9.004 -5.403 1.00 0.00 C ATOM 252 O ALA A 19 2.423 -9.609 -5.944 1.00 0.00 O ATOM 253 CB ALA A 19 4.057 -10.608 -3.620 1.00 0.00 C ATOM 0 H ALA A 19 1.662 -9.447 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 19 4.440 -8.503 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.930 -10.857 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.308 -10.703 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.242 -11.290 -3.862 1.00 0.00 H new ATOM 259 N ALA A 20 4.150 -8.173 -6.058 1.00 0.00 N ATOM 260 CA ALA A 20 3.988 -7.920 -7.485 1.00 0.00 C ATOM 261 C ALA A 20 4.820 -8.894 -8.313 1.00 0.00 C ATOM 262 O ALA A 20 5.820 -9.430 -7.836 1.00 0.00 O ATOM 263 CB ALA A 20 4.371 -6.484 -7.813 1.00 0.00 C ATOM 0 H ALA A 20 4.919 -7.663 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 20 2.939 -8.072 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.245 -6.309 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.731 -5.800 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.412 -6.313 -7.537 1.00 0.00 H new ATOM 319 N ASN A 25 4.017 -4.826 -14.908 1.00 0.00 N ATOM 320 CA ASN A 25 4.068 -3.451 -14.424 1.00 0.00 C ATOM 321 C ASN A 25 3.357 -3.320 -13.080 1.00 0.00 C ATOM 322 O ASN A 25 2.268 -2.752 -12.996 1.00 0.00 O ATOM 323 CB ASN A 25 3.432 -2.505 -15.444 1.00 0.00 C ATOM 324 CG ASN A 25 3.955 -2.734 -16.849 1.00 0.00 C ATOM 325 OD1 ASN A 25 5.105 -2.417 -17.155 1.00 0.00 O ATOM 326 ND2 ASN A 25 3.111 -3.288 -17.712 1.00 0.00 N ATOM 0 HA ASN A 25 5.115 -3.179 -14.289 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.350 -2.640 -15.435 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.627 -1.474 -15.150 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.407 -3.467 -18.672 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.167 -3.535 -17.415 1.00 0.00 H new ATOM 333 N GLU A 26 3.980 -3.850 -12.032 1.00 0.00 N ATOM 334 CA GLU A 26 3.406 -3.792 -10.693 1.00 0.00 C ATOM 335 C GLU A 26 4.498 -3.629 -9.640 1.00 0.00 C ATOM 336 O GLU A 26 5.577 -4.214 -9.752 1.00 0.00 O ATOM 337 CB GLU A 26 2.592 -5.056 -10.409 1.00 0.00 C ATOM 338 CG GLU A 26 1.256 -5.095 -11.133 1.00 0.00 C ATOM 339 CD GLU A 26 0.238 -5.972 -10.431 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.314 -7.209 -10.586 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.635 -5.423 -9.727 1.00 0.00 O ATOM 0 H GLU A 26 4.882 -4.324 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 26 2.747 -2.925 -10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.178 -5.928 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.417 -5.132 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.862 -4.082 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.408 -5.462 -12.148 1.00 0.00 H new ATOM 348 N LEU A 27 4.211 -2.831 -8.617 1.00 0.00 N ATOM 349 CA LEU A 27 5.168 -2.590 -7.543 1.00 0.00 C ATOM 350 C LEU A 27 4.897 -3.510 -6.357 1.00 0.00 C ATOM 351 O LEU A 27 3.755 -3.893 -6.101 1.00 0.00 O ATOM 352 CB LEU A 27 5.103 -1.129 -7.095 1.00 0.00 C ATOM 353 CG LEU A 27 6.150 -0.695 -6.068 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.486 -0.434 -6.745 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.680 0.541 -5.316 1.00 0.00 C ATOM 0 H LEU A 27 3.323 -2.340 -8.509 1.00 0.00 H new ATOM 0 HA LEU A 27 6.167 -2.803 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.203 -0.495 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.114 -0.941 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 27 6.282 -1.504 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.218 -0.126 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.829 -1.345 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.370 0.356 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.438 0.835 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.518 1.356 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.747 0.319 -4.797 1.00 0.00 H new ATOM 367 N THR A 28 5.956 -3.861 -5.633 1.00 0.00 N ATOM 368 CA THR A 28 5.834 -4.734 -4.473 1.00 0.00 C ATOM 369 C THR A 28 5.811 -3.930 -3.178 1.00 0.00 C ATOM 370 O THR A 28 6.637 -3.040 -2.973 1.00 0.00 O ATOM 371 CB THR A 28 6.989 -5.752 -4.411 1.00 0.00 C ATOM 372 OG1 THR A 28 7.005 -6.547 -5.602 1.00 0.00 O ATOM 373 CG2 THR A 28 6.851 -6.654 -3.194 1.00 0.00 C ATOM 0 H THR A 28 6.908 -3.553 -5.831 1.00 0.00 H new ATOM 0 HA THR A 28 4.891 -5.271 -4.581 1.00 0.00 H new ATOM 0 HB THR A 28 7.926 -5.201 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.743 -7.190 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.678 -7.364 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.869 -6.048 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.908 -7.197 -3.249 1.00 0.00 H new ATOM 381 N VAL A 29 4.859 -4.248 -2.306 1.00 0.00 N ATOM 382 CA VAL A 29 4.730 -3.555 -1.029 1.00 0.00 C ATOM 383 C VAL A 29 4.465 -4.539 0.105 1.00 0.00 C ATOM 384 O VAL A 29 4.136 -5.702 -0.130 1.00 0.00 O ATOM 385 CB VAL A 29 3.595 -2.515 -1.068 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.003 -1.309 -1.900 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.318 -3.140 -1.610 1.00 0.00 C ATOM 0 H VAL A 29 4.166 -4.981 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 29 5.675 -3.043 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 29 3.403 -2.175 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.188 -0.585 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.889 -0.848 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.225 -1.628 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.527 -2.391 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.494 -3.510 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.017 -3.968 -0.968 1.00 0.00 H new ATOM 397 N THR A 30 4.611 -4.064 1.338 1.00 0.00 N ATOM 398 CA THR A 30 4.389 -4.901 2.511 1.00 0.00 C ATOM 399 C THR A 30 3.495 -4.199 3.526 1.00 0.00 C ATOM 400 O THR A 30 3.375 -2.974 3.518 1.00 0.00 O ATOM 401 CB THR A 30 5.718 -5.281 3.190 1.00 0.00 C ATOM 402 OG1 THR A 30 5.465 -6.094 4.341 1.00 0.00 O ATOM 403 CG2 THR A 30 6.491 -4.037 3.602 1.00 0.00 C ATOM 0 H THR A 30 4.882 -3.104 1.550 1.00 0.00 H new ATOM 0 HA THR A 30 3.895 -5.808 2.163 1.00 0.00 H new ATOM 0 HB THR A 30 6.319 -5.842 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.315 -6.333 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.426 -4.331 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.708 -3.435 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.894 -3.453 4.302 1.00 0.00 H new ATOM 411 N GLU A 31 2.870 -4.982 4.400 1.00 0.00 N ATOM 412 CA GLU A 31 1.987 -4.434 5.422 1.00 0.00 C ATOM 413 C GLU A 31 2.746 -3.484 6.344 1.00 0.00 C ATOM 414 O GLU A 31 3.717 -3.874 6.991 1.00 0.00 O ATOM 415 CB GLU A 31 1.355 -5.561 6.240 1.00 0.00 C ATOM 416 CG GLU A 31 0.572 -5.072 7.447 1.00 0.00 C ATOM 417 CD GLU A 31 0.445 -6.129 8.527 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.319 -7.096 8.325 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.111 -5.989 9.575 1.00 0.00 O ATOM 0 H GLU A 31 2.959 -5.998 4.420 1.00 0.00 H new ATOM 0 HA GLU A 31 1.198 -3.873 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.691 -6.138 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.140 -6.238 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.063 -4.191 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.423 -4.762 7.129 1.00 0.00 H new ATOM 426 N GLY A 32 2.295 -2.234 6.398 1.00 0.00 N ATOM 427 CA GLY A 32 2.943 -1.248 7.243 1.00 0.00 C ATOM 428 C GLY A 32 3.884 -0.348 6.467 1.00 0.00 C ATOM 429 O GLY A 32 4.268 0.718 6.946 1.00 0.00 O ATOM 0 H GLY A 32 1.493 -1.887 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.184 -0.638 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.499 -1.758 8.030 1.00 0.00 H new ATOM 433 N GLU A 33 4.256 -0.779 5.265 1.00 0.00 N ATOM 434 CA GLU A 33 5.160 -0.004 4.423 1.00 0.00 C ATOM 435 C GLU A 33 4.439 1.192 3.808 1.00 0.00 C ATOM 436 O GLU A 33 3.367 1.049 3.219 1.00 0.00 O ATOM 437 CB GLU A 33 5.743 -0.886 3.317 1.00 0.00 C ATOM 438 CG GLU A 33 6.547 -0.114 2.284 1.00 0.00 C ATOM 439 CD GLU A 33 7.455 -1.010 1.463 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.305 -1.702 2.061 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.314 -1.019 0.222 1.00 0.00 O ATOM 0 H GLU A 33 3.946 -1.659 4.853 1.00 0.00 H new ATOM 0 HA GLU A 33 5.972 0.366 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.381 -1.646 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.930 -1.410 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.864 0.414 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.148 0.642 2.788 1.00 0.00 H new ATOM 448 N ILE A 34 5.034 2.371 3.950 1.00 0.00 N ATOM 449 CA ILE A 34 4.450 3.592 3.409 1.00 0.00 C ATOM 450 C ILE A 34 5.121 3.988 2.098 1.00 0.00 C ATOM 451 O ILE A 34 6.325 4.243 2.057 1.00 0.00 O ATOM 452 CB ILE A 34 4.565 4.761 4.405 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.990 4.360 5.764 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.851 5.990 3.863 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.737 3.518 5.665 1.00 0.00 C ATOM 0 H ILE A 34 5.921 2.507 4.435 1.00 0.00 H new ATOM 0 HA ILE A 34 3.396 3.383 3.227 1.00 0.00 H new ATOM 0 HB ILE A 34 5.619 5.005 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.747 3.807 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.768 5.261 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.941 6.808 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.302 6.285 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.797 5.759 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.385 3.271 6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.964 4.076 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.958 2.600 5.121 1.00 0.00 H new ATOM 467 N ILE A 35 4.334 4.039 1.028 1.00 0.00 N ATOM 468 CA ILE A 35 4.851 4.407 -0.284 1.00 0.00 C ATOM 469 C ILE A 35 4.296 5.754 -0.735 1.00 0.00 C ATOM 470 O ILE A 35 3.383 6.301 -0.117 1.00 0.00 O ATOM 471 CB ILE A 35 4.508 3.342 -1.343 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.996 3.113 -1.396 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.236 2.041 -1.040 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.533 2.433 -2.666 1.00 0.00 C ATOM 0 H ILE A 35 3.336 3.830 1.044 1.00 0.00 H new ATOM 0 HA ILE A 35 5.935 4.477 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 35 4.837 3.701 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.698 2.508 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.488 4.072 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.984 1.298 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.312 2.216 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.935 1.676 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.451 2.303 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.800 3.047 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.014 1.459 -2.753 1.00 0.00 H new ATOM 486 N THR A 36 4.854 6.284 -1.819 1.00 0.00 N ATOM 487 CA THR A 36 4.416 7.566 -2.355 1.00 0.00 C ATOM 488 C THR A 36 3.386 7.376 -3.463 1.00 0.00 C ATOM 489 O THR A 36 3.643 6.691 -4.453 1.00 0.00 O ATOM 490 CB THR A 36 5.602 8.380 -2.906 1.00 0.00 C ATOM 491 OG1 THR A 36 6.664 8.409 -1.947 1.00 0.00 O ATOM 492 CG2 THR A 36 5.174 9.801 -3.241 1.00 0.00 C ATOM 0 H THR A 36 5.611 5.844 -2.343 1.00 0.00 H new ATOM 0 HA THR A 36 3.961 8.114 -1.530 1.00 0.00 H new ATOM 0 HB THR A 36 5.952 7.898 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.415 8.927 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.028 10.357 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.386 9.776 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.801 10.290 -2.341 1.00 0.00 H new ATOM 500 N VAL A 37 2.218 7.988 -3.290 1.00 0.00 N ATOM 501 CA VAL A 37 1.149 7.887 -4.276 1.00 0.00 C ATOM 502 C VAL A 37 1.277 8.974 -5.338 1.00 0.00 C ATOM 503 O VAL A 37 1.405 10.157 -5.020 1.00 0.00 O ATOM 504 CB VAL A 37 -0.237 7.992 -3.614 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.338 7.792 -4.644 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.365 6.984 -2.482 1.00 0.00 C ATOM 0 H VAL A 37 1.989 8.559 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 37 1.244 6.909 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.344 8.992 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.310 7.870 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.257 8.557 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.237 6.806 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.351 7.073 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.237 5.976 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.401 7.180 -1.732 1.00 0.00 H new ATOM 516 N THR A 38 1.242 8.566 -6.602 1.00 0.00 N ATOM 517 CA THR A 38 1.355 9.504 -7.712 1.00 0.00 C ATOM 518 C THR A 38 0.084 9.514 -8.554 1.00 0.00 C ATOM 519 O THR A 38 -0.304 10.548 -9.096 1.00 0.00 O ATOM 520 CB THR A 38 2.554 9.163 -8.616 1.00 0.00 C ATOM 521 OG1 THR A 38 2.488 7.791 -9.021 1.00 0.00 O ATOM 522 CG2 THR A 38 3.867 9.421 -7.894 1.00 0.00 C ATOM 0 H THR A 38 1.136 7.591 -6.883 1.00 0.00 H new ATOM 0 HA THR A 38 1.507 10.492 -7.277 1.00 0.00 H new ATOM 0 HB THR A 38 2.510 9.804 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.253 7.583 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.699 9.173 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.927 10.473 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.917 8.803 -6.998 1.00 0.00 H new ATOM 530 N ASN A 39 -0.559 8.356 -8.660 1.00 0.00 N ATOM 531 CA ASN A 39 -1.787 8.232 -9.437 1.00 0.00 C ATOM 532 C ASN A 39 -2.864 7.503 -8.640 1.00 0.00 C ATOM 533 O ASN A 39 -3.094 6.305 -8.811 1.00 0.00 O ATOM 534 CB ASN A 39 -1.514 7.489 -10.746 1.00 0.00 C ATOM 535 CG ASN A 39 -2.677 7.579 -11.716 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.676 8.246 -11.444 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.553 6.905 -12.853 1.00 0.00 N ATOM 0 H ASN A 39 -0.250 7.490 -8.218 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.146 9.236 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.621 7.901 -11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.306 6.441 -10.529 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.304 6.927 -13.543 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.707 6.365 -13.036 1.00 0.00 H new ATOM 544 N PRO A 40 -3.542 8.241 -7.748 1.00 0.00 N ATOM 545 CA PRO A 40 -4.607 7.685 -6.908 1.00 0.00 C ATOM 546 C PRO A 40 -5.855 7.333 -7.710 1.00 0.00 C ATOM 547 O PRO A 40 -6.723 6.601 -7.236 1.00 0.00 O ATOM 548 CB PRO A 40 -4.908 8.817 -5.922 1.00 0.00 C ATOM 549 CG PRO A 40 -4.494 10.059 -6.634 1.00 0.00 C ATOM 550 CD PRO A 40 -3.321 9.674 -7.492 1.00 0.00 C ATOM 0 HA PRO A 40 -4.304 6.753 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.966 8.844 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.354 8.690 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.310 10.451 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.220 10.841 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.295 10.248 -8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.374 9.850 -6.981 1.00 0.00 H new ATOM 558 N ASN A 41 -5.937 7.857 -8.929 1.00 0.00 N ATOM 559 CA ASN A 41 -7.079 7.597 -9.797 1.00 0.00 C ATOM 560 C ASN A 41 -6.623 7.058 -11.149 1.00 0.00 C ATOM 561 O ASN A 41 -6.584 7.787 -12.140 1.00 0.00 O ATOM 562 CB ASN A 41 -7.897 8.875 -9.995 1.00 0.00 C ATOM 563 CG ASN A 41 -9.351 8.587 -10.314 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.662 7.918 -11.300 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.251 9.093 -9.479 1.00 0.00 N ATOM 0 H ASN A 41 -5.226 8.464 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.704 6.844 -9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.840 9.483 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.460 9.461 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.245 8.933 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.948 9.642 -8.674 1.00 0.00 H new ATOM 572 N VAL A 42 -6.278 5.774 -11.182 1.00 0.00 N ATOM 573 CA VAL A 42 -5.826 5.135 -12.412 1.00 0.00 C ATOM 574 C VAL A 42 -6.982 4.938 -13.386 1.00 0.00 C ATOM 575 O VAL A 42 -6.963 5.455 -14.502 1.00 0.00 O ATOM 576 CB VAL A 42 -5.171 3.771 -12.128 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.572 3.190 -13.400 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.112 3.905 -11.044 1.00 0.00 C ATOM 0 H VAL A 42 -6.303 5.156 -10.371 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.086 5.799 -12.860 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.940 3.086 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.114 2.226 -13.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.357 3.056 -14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.815 3.871 -13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.659 2.932 -10.856 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.344 4.606 -11.371 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.574 4.274 -10.128 1.00 0.00 H new ATOM 588 N GLY A 43 -7.991 4.186 -12.955 1.00 0.00 N ATOM 589 CA GLY A 43 -9.143 3.934 -13.801 1.00 0.00 C ATOM 590 C GLY A 43 -9.954 2.741 -13.335 1.00 0.00 C ATOM 591 O GLY A 43 -11.144 2.864 -13.048 1.00 0.00 O ATOM 0 H GLY A 43 -8.031 3.747 -12.035 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.779 4.819 -13.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.808 3.765 -14.824 1.00 0.00 H new ATOM 595 N GLY A 44 -9.309 1.581 -13.262 1.00 0.00 N ATOM 596 CA GLY A 44 -9.994 0.377 -12.830 1.00 0.00 C ATOM 597 C GLY A 44 -10.087 0.273 -11.320 1.00 0.00 C ATOM 598 O GLY A 44 -10.196 -0.822 -10.772 1.00 0.00 O ATOM 0 H GLY A 44 -8.324 1.454 -13.494 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.998 0.361 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.469 -0.495 -13.220 1.00 0.00 H new ATOM 602 N GLY A 45 -10.043 1.419 -10.646 1.00 0.00 N ATOM 603 CA GLY A 45 -10.123 1.430 -9.197 1.00 0.00 C ATOM 604 C GLY A 45 -8.796 1.105 -8.541 1.00 0.00 C ATOM 605 O GLY A 45 -8.758 0.618 -7.411 1.00 0.00 O ATOM 0 H GLY A 45 -9.953 2.339 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.460 2.411 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.872 0.708 -8.872 1.00 0.00 H new ATOM 609 N TRP A 46 -7.706 1.373 -9.250 1.00 0.00 N ATOM 610 CA TRP A 46 -6.370 1.104 -8.730 1.00 0.00 C ATOM 611 C TRP A 46 -5.618 2.403 -8.464 1.00 0.00 C ATOM 612 O TRP A 46 -6.168 3.494 -8.621 1.00 0.00 O ATOM 613 CB TRP A 46 -5.583 0.236 -9.713 1.00 0.00 C ATOM 614 CG TRP A 46 -6.004 -1.203 -9.705 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.272 -1.686 -9.857 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.156 -2.343 -9.534 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.263 -3.058 -9.791 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.977 -3.486 -9.594 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.782 -2.511 -9.338 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.468 -4.776 -9.464 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.279 -3.791 -9.208 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.120 -4.910 -9.273 1.00 0.00 C ATOM 0 H TRP A 46 -7.721 1.776 -10.187 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.475 0.568 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.705 0.637 -10.719 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.522 0.298 -9.472 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.152 -1.079 -10.007 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.082 -3.661 -9.875 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.125 -1.655 -9.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.115 -5.640 -9.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.219 -3.932 -9.054 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.696 -5.898 -9.170 1.00 0.00 H new ATOM 633 N LEU A 47 -4.358 2.280 -8.061 1.00 0.00 N ATOM 634 CA LEU A 47 -3.529 3.446 -7.774 1.00 0.00 C ATOM 635 C LEU A 47 -2.063 3.161 -8.083 1.00 0.00 C ATOM 636 O LEU A 47 -1.583 2.045 -7.888 1.00 0.00 O ATOM 637 CB LEU A 47 -3.683 3.856 -6.308 1.00 0.00 C ATOM 638 CG LEU A 47 -3.014 2.941 -5.281 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.561 3.339 -5.078 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.769 2.980 -3.961 1.00 0.00 C ATOM 0 H LEU A 47 -3.888 1.385 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.863 4.265 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.278 4.861 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.747 3.912 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.040 1.920 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.102 2.677 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.026 3.259 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.512 4.367 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.279 2.323 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.775 4.000 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.794 2.645 -4.118 1.00 0.00 H new ATOM 652 N GLU A 48 -1.357 4.179 -8.565 1.00 0.00 N ATOM 653 CA GLU A 48 0.055 4.038 -8.900 1.00 0.00 C ATOM 654 C GLU A 48 0.936 4.636 -7.806 1.00 0.00 C ATOM 655 O GLU A 48 0.635 5.697 -7.262 1.00 0.00 O ATOM 656 CB GLU A 48 0.355 4.716 -10.238 1.00 0.00 C ATOM 657 CG GLU A 48 1.526 4.098 -10.984 1.00 0.00 C ATOM 658 CD GLU A 48 1.105 2.959 -11.891 1.00 0.00 C ATOM 659 OE1 GLU A 48 0.179 3.158 -12.705 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.702 1.867 -11.787 1.00 0.00 O ATOM 0 H GLU A 48 -1.740 5.110 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 48 0.278 2.974 -8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.533 4.667 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.563 5.771 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.020 4.867 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.258 3.732 -10.264 1.00 0.00 H new ATOM 667 N GLY A 49 2.027 3.944 -7.489 1.00 0.00 N ATOM 668 CA GLY A 49 2.934 4.420 -6.461 1.00 0.00 C ATOM 669 C GLY A 49 4.383 4.101 -6.774 1.00 0.00 C ATOM 670 O GLY A 49 4.676 3.128 -7.469 1.00 0.00 O ATOM 0 H GLY A 49 2.298 3.063 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.818 5.498 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.664 3.970 -5.506 1.00 0.00 H new ATOM 674 N LYS A 50 5.292 4.924 -6.262 1.00 0.00 N ATOM 675 CA LYS A 50 6.718 4.726 -6.490 1.00 0.00 C ATOM 676 C LYS A 50 7.429 4.347 -5.195 1.00 0.00 C ATOM 677 O LYS A 50 7.141 4.898 -4.134 1.00 0.00 O ATOM 678 CB LYS A 50 7.344 5.994 -7.075 1.00 0.00 C ATOM 679 CG LYS A 50 8.833 5.870 -7.344 1.00 0.00 C ATOM 680 CD LYS A 50 9.360 7.062 -8.126 1.00 0.00 C ATOM 681 CE LYS A 50 9.435 8.309 -7.258 1.00 0.00 C ATOM 682 NZ LYS A 50 10.688 8.350 -6.454 1.00 0.00 N ATOM 0 H LYS A 50 5.066 5.735 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 50 6.836 3.909 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.835 6.244 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.176 6.823 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.369 5.788 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.028 4.953 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.350 6.831 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.713 7.252 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.380 9.195 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.574 8.339 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.702 9.215 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.729 7.517 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.510 8.347 -7.091 1.00 0.00 H new ATOM 696 N ASN A 51 8.360 3.403 -5.290 1.00 0.00 N ATOM 697 CA ASN A 51 9.113 2.951 -4.125 1.00 0.00 C ATOM 698 C ASN A 51 10.466 3.651 -4.048 1.00 0.00 C ATOM 699 O ASN A 51 10.856 4.375 -4.963 1.00 0.00 O ATOM 700 CB ASN A 51 9.312 1.435 -4.177 1.00 0.00 C ATOM 701 CG ASN A 51 10.562 1.042 -4.941 1.00 0.00 C ATOM 702 OD1 ASN A 51 11.624 0.836 -4.351 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.442 0.938 -6.259 1.00 0.00 N ATOM 0 H ASN A 51 8.611 2.936 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 51 8.541 3.205 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.372 1.044 -3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.443 0.973 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.249 0.678 -6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.542 1.118 -6.705 1.00 0.00 H new ATOM 710 N ASN A 52 11.179 3.429 -2.948 1.00 0.00 N ATOM 711 CA ASN A 52 12.489 4.038 -2.750 1.00 0.00 C ATOM 712 C ASN A 52 13.312 3.986 -4.034 1.00 0.00 C ATOM 713 O ASN A 52 13.760 5.016 -4.539 1.00 0.00 O ATOM 714 CB ASN A 52 13.239 3.328 -1.621 1.00 0.00 C ATOM 715 CG ASN A 52 12.796 3.797 -0.249 1.00 0.00 C ATOM 716 OD1 ASN A 52 13.255 4.826 0.247 1.00 0.00 O ATOM 717 ND2 ASN A 52 11.899 3.041 0.373 1.00 0.00 N ATOM 0 H ASN A 52 10.871 2.832 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 52 12.339 5.083 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.081 2.253 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.309 3.502 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.564 3.305 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.545 2.196 -0.075 1.00 0.00 H new ATOM 724 N LYS A 53 13.507 2.781 -4.557 1.00 0.00 N ATOM 725 CA LYS A 53 14.275 2.593 -5.782 1.00 0.00 C ATOM 726 C LYS A 53 13.821 3.569 -6.863 1.00 0.00 C ATOM 727 O LYS A 53 14.618 4.004 -7.694 1.00 0.00 O ATOM 728 CB LYS A 53 14.128 1.155 -6.285 1.00 0.00 C ATOM 729 CG LYS A 53 15.097 0.182 -5.636 1.00 0.00 C ATOM 730 CD LYS A 53 16.410 0.110 -6.397 1.00 0.00 C ATOM 731 CE LYS A 53 17.263 1.346 -6.153 1.00 0.00 C ATOM 732 NZ LYS A 53 18.716 1.052 -6.292 1.00 0.00 N ATOM 0 H LYS A 53 13.143 1.919 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 53 15.324 2.788 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.108 0.817 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.279 1.139 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.288 0.489 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.645 -0.809 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.961 -0.780 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.209 0.010 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.981 2.127 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.065 1.733 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.264 1.919 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.991 0.325 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.910 0.707 -7.254 1.00 0.00 H new ATOM 746 N GLY A 54 12.536 3.911 -6.845 1.00 0.00 N ATOM 747 CA GLY A 54 12.000 4.834 -7.827 1.00 0.00 C ATOM 748 C GLY A 54 11.120 4.145 -8.851 1.00 0.00 C ATOM 749 O GLY A 54 10.595 4.788 -9.760 1.00 0.00 O ATOM 0 H GLY A 54 11.857 3.565 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.423 5.607 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.823 5.335 -8.338 1.00 0.00 H new ATOM 753 N GLU A 55 10.961 2.833 -8.705 1.00 0.00 N ATOM 754 CA GLU A 55 10.140 2.057 -9.627 1.00 0.00 C ATOM 755 C GLU A 55 8.656 2.314 -9.383 1.00 0.00 C ATOM 756 O GLU A 55 8.224 2.480 -8.243 1.00 0.00 O ATOM 757 CB GLU A 55 10.441 0.564 -9.480 1.00 0.00 C ATOM 758 CG GLU A 55 11.863 0.190 -9.865 1.00 0.00 C ATOM 759 CD GLU A 55 12.344 -1.067 -9.166 1.00 0.00 C ATOM 760 OE1 GLU A 55 12.747 -0.975 -7.988 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.317 -2.144 -9.799 1.00 0.00 O ATOM 0 H GLU A 55 11.389 2.286 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 55 10.383 2.371 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.263 0.266 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.745 -0.001 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.917 0.045 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.531 1.016 -9.620 1.00 0.00 H new ATOM 768 N GLN A 56 7.881 2.346 -10.463 1.00 0.00 N ATOM 769 CA GLN A 56 6.446 2.584 -10.366 1.00 0.00 C ATOM 770 C GLN A 56 5.659 1.364 -10.833 1.00 0.00 C ATOM 771 O GLN A 56 6.033 0.706 -11.804 1.00 0.00 O ATOM 772 CB GLN A 56 6.053 3.807 -11.196 1.00 0.00 C ATOM 773 CG GLN A 56 6.158 5.118 -10.434 1.00 0.00 C ATOM 774 CD GLN A 56 6.276 6.319 -11.352 1.00 0.00 C ATOM 775 OE1 GLN A 56 6.186 6.193 -12.573 1.00 0.00 O ATOM 776 NE2 GLN A 56 6.478 7.494 -10.767 1.00 0.00 N ATOM 0 H GLN A 56 8.223 2.210 -11.414 1.00 0.00 H new ATOM 0 HA GLN A 56 6.204 2.771 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.691 3.857 -12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.029 3.682 -11.549 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.280 5.236 -9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.026 5.082 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.546 7.553 -9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.565 8.338 -11.334 1.00 0.00 H new ATOM 785 N GLY A 57 4.567 1.067 -10.135 1.00 0.00 N ATOM 786 CA GLY A 57 3.745 -0.074 -10.494 1.00 0.00 C ATOM 787 C GLY A 57 2.305 0.086 -10.048 1.00 0.00 C ATOM 788 O GLY A 57 2.000 0.922 -9.196 1.00 0.00 O ATOM 0 H GLY A 57 4.237 1.596 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.774 -0.213 -11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.163 -0.975 -10.045 1.00 0.00 H new ATOM 792 N LEU A 58 1.417 -0.716 -10.624 1.00 0.00 N ATOM 793 CA LEU A 58 0.000 -0.659 -10.282 1.00 0.00 C ATOM 794 C LEU A 58 -0.283 -1.436 -9.001 1.00 0.00 C ATOM 795 O LEU A 58 0.331 -2.471 -8.741 1.00 0.00 O ATOM 796 CB LEU A 58 -0.845 -1.219 -11.429 1.00 0.00 C ATOM 797 CG LEU A 58 -0.945 -0.343 -12.678 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.621 -1.102 -13.809 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.701 0.941 -12.369 1.00 0.00 C ATOM 0 H LEU A 58 1.653 -1.413 -11.330 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.267 0.385 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.433 -2.185 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.853 -1.402 -11.056 1.00 0.00 H new ATOM 0 HG LEU A 58 0.064 -0.080 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.683 -0.463 -14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.040 -1.993 -14.048 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.625 -1.395 -13.502 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.763 1.553 -13.269 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.707 0.698 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.176 1.494 -11.590 1.00 0.00 H new ATOM 811 N VAL A 59 -1.219 -0.932 -8.203 1.00 0.00 N ATOM 812 CA VAL A 59 -1.586 -1.580 -6.950 1.00 0.00 C ATOM 813 C VAL A 59 -3.057 -1.347 -6.621 1.00 0.00 C ATOM 814 O VAL A 59 -3.592 -0.253 -6.798 1.00 0.00 O ATOM 815 CB VAL A 59 -0.723 -1.071 -5.780 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.178 -1.694 -4.470 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.748 -1.363 -6.037 1.00 0.00 C ATOM 0 H VAL A 59 -1.737 -0.076 -8.402 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.411 -2.648 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.847 0.009 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.557 -1.322 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.219 -1.429 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.086 -2.778 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.343 -0.997 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.893 -2.438 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.063 -0.863 -6.953 1.00 0.00 H new ATOM 827 N PRO A 60 -3.727 -2.400 -6.129 1.00 0.00 N ATOM 828 CA PRO A 60 -5.145 -2.335 -5.764 1.00 0.00 C ATOM 829 C PRO A 60 -5.386 -1.479 -4.525 1.00 0.00 C ATOM 830 O PRO A 60 -4.714 -1.641 -3.505 1.00 0.00 O ATOM 831 CB PRO A 60 -5.506 -3.796 -5.483 1.00 0.00 C ATOM 832 CG PRO A 60 -4.217 -4.437 -5.098 1.00 0.00 C ATOM 833 CD PRO A 60 -3.151 -3.735 -5.892 1.00 0.00 C ATOM 0 HA PRO A 60 -5.747 -1.876 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.242 -3.875 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.938 -4.273 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.036 -4.337 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.230 -5.504 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.212 -3.676 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.939 -4.253 -6.827 1.00 0.00 H new ATOM 841 N THR A 61 -6.349 -0.568 -4.619 1.00 0.00 N ATOM 842 CA THR A 61 -6.678 0.314 -3.507 1.00 0.00 C ATOM 843 C THR A 61 -7.219 -0.476 -2.320 1.00 0.00 C ATOM 844 O THR A 61 -7.202 0.001 -1.185 1.00 0.00 O ATOM 845 CB THR A 61 -7.716 1.375 -3.919 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.983 0.753 -4.159 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.265 2.117 -5.168 1.00 0.00 C ATOM 0 H THR A 61 -6.915 -0.422 -5.455 1.00 0.00 H new ATOM 0 HA THR A 61 -5.754 0.814 -3.217 1.00 0.00 H new ATOM 0 HB THR A 61 -7.812 2.093 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.100 0.609 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.014 2.861 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.314 2.614 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.143 1.409 -5.988 1.00 0.00 H new ATOM 855 N ASP A 62 -7.698 -1.685 -2.590 1.00 0.00 N ATOM 856 CA ASP A 62 -8.243 -2.542 -1.543 1.00 0.00 C ATOM 857 C ASP A 62 -7.144 -3.001 -0.590 1.00 0.00 C ATOM 858 O ASP A 62 -7.402 -3.288 0.579 1.00 0.00 O ATOM 859 CB ASP A 62 -8.939 -3.756 -2.160 1.00 0.00 C ATOM 860 CG ASP A 62 -10.110 -3.366 -3.041 1.00 0.00 C ATOM 861 OD1 ASP A 62 -11.105 -2.837 -2.504 1.00 0.00 O ATOM 862 OD2 ASP A 62 -10.032 -3.592 -4.267 1.00 0.00 O ATOM 0 H ASP A 62 -7.720 -2.094 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.972 -1.963 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.219 -4.324 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.290 -4.413 -1.364 1.00 0.00 H new ATOM 867 N TYR A 63 -5.918 -3.068 -1.097 1.00 0.00 N ATOM 868 CA TYR A 63 -4.780 -3.495 -0.291 1.00 0.00 C ATOM 869 C TYR A 63 -4.190 -2.321 0.484 1.00 0.00 C ATOM 870 O TYR A 63 -3.749 -2.473 1.623 1.00 0.00 O ATOM 871 CB TYR A 63 -3.707 -4.125 -1.181 1.00 0.00 C ATOM 872 CG TYR A 63 -4.020 -5.545 -1.595 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.050 -5.818 -2.487 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.287 -6.614 -1.094 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.340 -7.113 -2.868 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.570 -7.912 -1.470 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.597 -8.157 -2.358 1.00 0.00 C ATOM 878 OH TYR A 63 -4.882 -9.450 -2.734 1.00 0.00 O ATOM 0 H TYR A 63 -5.687 -2.832 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.132 -4.238 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.584 -3.514 -2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.754 -4.112 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.634 -5.003 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.482 -6.426 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.145 -7.307 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.990 -8.731 -1.071 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.265 -10.065 -2.285 1.00 0.00 H new ATOM 888 N VAL A 64 -4.185 -1.149 -0.143 1.00 0.00 N ATOM 889 CA VAL A 64 -3.651 0.053 0.487 1.00 0.00 C ATOM 890 C VAL A 64 -4.713 1.143 0.578 1.00 0.00 C ATOM 891 O VAL A 64 -5.358 1.479 -0.415 1.00 0.00 O ATOM 892 CB VAL A 64 -2.436 0.598 -0.286 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.356 -0.467 -0.403 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.857 1.095 -1.660 1.00 0.00 C ATOM 0 H VAL A 64 -4.545 -1.006 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.336 -0.228 1.492 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.023 1.441 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.505 -0.064 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.034 -0.770 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.754 -1.332 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.985 1.476 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.296 0.273 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.592 1.892 -1.549 1.00 0.00 H new ATOM 904 N GLU A 65 -4.888 1.693 1.775 1.00 0.00 N ATOM 905 CA GLU A 65 -5.872 2.746 1.995 1.00 0.00 C ATOM 906 C GLU A 65 -5.188 4.091 2.221 1.00 0.00 C ATOM 907 O GLU A 65 -4.580 4.323 3.266 1.00 0.00 O ATOM 908 CB GLU A 65 -6.758 2.404 3.195 1.00 0.00 C ATOM 909 CG GLU A 65 -7.704 3.525 3.592 1.00 0.00 C ATOM 910 CD GLU A 65 -8.879 3.032 4.415 1.00 0.00 C ATOM 911 OE1 GLU A 65 -8.656 2.241 5.354 1.00 0.00 O ATOM 912 OE2 GLU A 65 -10.022 3.439 4.119 1.00 0.00 O ATOM 0 H GLU A 65 -4.361 1.427 2.607 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.494 2.819 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.341 1.513 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.123 2.157 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.155 4.274 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.076 4.017 2.693 1.00 0.00 H new ATOM 919 N ILE A 66 -5.292 4.974 1.233 1.00 0.00 N ATOM 920 CA ILE A 66 -4.685 6.296 1.323 1.00 0.00 C ATOM 921 C ILE A 66 -5.130 7.020 2.589 1.00 0.00 C ATOM 922 O ILE A 66 -6.305 6.986 2.956 1.00 0.00 O ATOM 923 CB ILE A 66 -5.036 7.162 0.099 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.581 6.472 -1.189 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.399 8.537 0.223 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.735 7.333 -2.423 1.00 0.00 C ATOM 0 H ILE A 66 -5.791 4.797 0.361 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.606 6.146 1.353 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.118 7.287 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.535 6.182 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.154 5.555 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.656 9.137 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.768 9.029 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.316 8.432 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.393 6.780 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.784 7.602 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.139 8.239 -2.311 1.00 0.00 H new ATOM 938 N LEU A 67 -4.184 7.677 3.252 1.00 0.00 N ATOM 939 CA LEU A 67 -4.479 8.412 4.477 1.00 0.00 C ATOM 940 C LEU A 67 -4.731 9.887 4.179 1.00 0.00 C ATOM 941 O LEU A 67 -4.111 10.483 3.298 1.00 0.00 O ATOM 942 CB LEU A 67 -3.324 8.271 5.470 1.00 0.00 C ATOM 943 CG LEU A 67 -2.766 6.859 5.654 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.367 6.912 6.248 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.690 6.031 6.535 1.00 0.00 C ATOM 0 H LEU A 67 -3.207 7.716 2.962 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.382 7.989 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.512 8.922 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.659 8.637 6.441 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.706 6.382 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.986 5.898 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.709 7.468 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.402 7.408 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.277 5.029 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.782 6.505 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.673 5.965 6.070 1.00 0.00 H new ATOM 957 N PRO A 68 -5.662 10.492 4.932 1.00 0.00 N ATOM 958 CA PRO A 68 -6.016 11.905 4.769 1.00 0.00 C ATOM 959 C PRO A 68 -4.899 12.838 5.225 1.00 0.00 C ATOM 960 O PRO A 68 -3.845 12.388 5.672 1.00 0.00 O ATOM 961 CB PRO A 68 -7.247 12.068 5.663 1.00 0.00 C ATOM 962 CG PRO A 68 -7.114 10.997 6.690 1.00 0.00 C ATOM 963 CD PRO A 68 -6.440 9.843 6.000 1.00 0.00 C ATOM 0 HA PRO A 68 -6.194 12.163 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.274 13.056 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.169 11.956 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.525 11.342 7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.090 10.704 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.798 9.286 6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.166 9.137 5.596 1.00 0.00 H new