USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 25:sc= 0.0809 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.27) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00823 USER MOD Single : A 33 GLN : amide:sc= -2.8 K(o=-2.8,f=-3.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.34) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -62:sc= -0.0823 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.355 (180deg=0.336) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.980 2.721 0.776 1.00 0.00 N ATOM 109 CA THR A 11 2.933 2.235 -0.598 1.00 0.00 C ATOM 110 C THR A 11 3.081 0.718 -0.649 1.00 0.00 C ATOM 111 O THR A 11 2.285 0.029 -1.286 1.00 0.00 O ATOM 112 CB THR A 11 4.038 2.876 -1.458 1.00 0.00 C ATOM 113 OG1 THR A 11 3.944 4.304 -1.392 1.00 0.00 O ATOM 114 CG2 THR A 11 3.928 2.423 -2.906 1.00 0.00 C ATOM 0 HA THR A 11 1.960 2.517 -1.001 1.00 0.00 H new ATOM 0 HB THR A 11 5.004 2.557 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.498 4.564 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.719 2.889 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.029 1.339 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.958 2.716 -3.306 1.00 0.00 H new ATOM 122 N ASP A 12 4.105 0.205 0.025 1.00 0.00 N ATOM 123 CA ASP A 12 4.356 -1.231 0.057 1.00 0.00 C ATOM 124 C ASP A 12 3.663 -1.877 1.253 1.00 0.00 C ATOM 125 O ASP A 12 2.985 -2.896 1.116 1.00 0.00 O ATOM 126 CB ASP A 12 5.859 -1.506 0.113 1.00 0.00 C ATOM 127 CG ASP A 12 6.592 -0.535 1.017 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.618 0.672 0.695 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.140 -0.980 2.047 1.00 0.00 O ATOM 0 H ASP A 12 4.774 0.762 0.556 1.00 0.00 H new ATOM 0 HA ASP A 12 3.949 -1.667 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.026 -2.524 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.274 -1.445 -0.893 1.00 0.00 H new ATOM 134 N LYS A 13 3.838 -1.279 2.426 1.00 0.00 N ATOM 135 CA LYS A 13 3.230 -1.794 3.647 1.00 0.00 C ATOM 136 C LYS A 13 1.781 -2.202 3.403 1.00 0.00 C ATOM 137 O LYS A 13 1.374 -3.314 3.736 1.00 0.00 O ATOM 138 CB LYS A 13 3.296 -0.743 4.757 1.00 0.00 C ATOM 139 CG LYS A 13 4.712 -0.372 5.161 1.00 0.00 C ATOM 140 CD LYS A 13 5.270 -1.340 6.191 1.00 0.00 C ATOM 141 CE LYS A 13 6.679 -0.952 6.614 1.00 0.00 C ATOM 142 NZ LYS A 13 7.406 -2.095 7.233 1.00 0.00 N ATOM 0 H LYS A 13 4.397 -0.436 2.557 1.00 0.00 H new ATOM 0 HA LYS A 13 3.790 -2.676 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.774 0.155 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.764 -1.117 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.353 -0.368 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.722 0.639 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.619 -1.359 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.278 -2.349 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.234 -0.596 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.631 -0.125 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.362 -1.791 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.890 -2.419 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.474 -2.875 6.548 1.00 0.00 H new ATOM 156 N ALA A 14 1.006 -1.294 2.818 1.00 0.00 N ATOM 157 CA ALA A 14 -0.397 -1.560 2.527 1.00 0.00 C ATOM 158 C ALA A 14 -0.554 -2.833 1.702 1.00 0.00 C ATOM 159 O ALA A 14 -1.338 -3.717 2.049 1.00 0.00 O ATOM 160 CB ALA A 14 -1.019 -0.377 1.799 1.00 0.00 C ATOM 0 H ALA A 14 1.327 -0.368 2.536 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.918 -1.704 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.067 -0.590 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.948 0.513 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.488 -0.206 0.863 1.00 0.00 H new ATOM 166 N LEU A 15 0.195 -2.920 0.608 1.00 0.00 N ATOM 167 CA LEU A 15 0.139 -4.085 -0.267 1.00 0.00 C ATOM 168 C LEU A 15 0.465 -5.361 0.502 1.00 0.00 C ATOM 169 O LEU A 15 -0.250 -6.358 0.403 1.00 0.00 O ATOM 170 CB LEU A 15 1.112 -3.918 -1.435 1.00 0.00 C ATOM 171 CG LEU A 15 0.940 -2.652 -2.275 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.174 -2.407 -3.131 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.303 -2.754 -3.146 1.00 0.00 C ATOM 0 H LEU A 15 0.848 -2.197 0.306 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.876 -4.167 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.128 -3.933 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.012 -4.782 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 15 0.817 -1.805 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.033 -1.502 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.046 -2.288 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.328 -3.255 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.409 -1.844 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.210 -3.611 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.181 -2.880 -2.513 1.00 0.00 H new ATOM 185 N TYR A 16 1.549 -5.321 1.270 1.00 0.00 N ATOM 186 CA TYR A 16 1.970 -6.474 2.057 1.00 0.00 C ATOM 187 C TYR A 16 0.785 -7.098 2.788 1.00 0.00 C ATOM 188 O TYR A 16 0.481 -8.277 2.608 1.00 0.00 O ATOM 189 CB TYR A 16 3.046 -6.065 3.064 1.00 0.00 C ATOM 190 CG TYR A 16 3.965 -7.197 3.463 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.665 -7.920 2.504 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.133 -7.546 4.797 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.505 -8.956 2.864 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.972 -8.579 5.166 1.00 0.00 C ATOM 195 CZ TYR A 16 5.656 -9.281 4.195 1.00 0.00 C ATOM 196 OH TYR A 16 6.492 -10.313 4.558 1.00 0.00 O ATOM 0 H TYR A 16 2.151 -4.503 1.364 1.00 0.00 H new ATOM 0 HA TYR A 16 2.384 -7.216 1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.642 -5.258 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.563 -5.668 3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.550 -7.668 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.598 -7.000 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.041 -9.509 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.092 -8.836 6.208 1.00 0.00 H new ATOM 0 HH TYR A 16 6.486 -10.411 5.533 1.00 0.00 H new ATOM 206 N ASN A 17 0.118 -6.297 3.613 1.00 0.00 N ATOM 207 CA ASN A 17 -1.034 -6.769 4.371 1.00 0.00 C ATOM 208 C ASN A 17 -1.908 -7.685 3.519 1.00 0.00 C ATOM 209 O ASN A 17 -2.209 -8.813 3.911 1.00 0.00 O ATOM 210 CB ASN A 17 -1.859 -5.584 4.876 1.00 0.00 C ATOM 211 CG ASN A 17 -3.053 -6.020 5.703 1.00 0.00 C ATOM 212 OD1 ASN A 17 -2.910 -6.753 6.682 1.00 0.00 O ATOM 213 ND2 ASN A 17 -4.240 -5.572 5.311 1.00 0.00 N ATOM 0 H ASN A 17 0.356 -5.318 3.773 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.667 -7.338 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.224 -4.932 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.205 -4.997 4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.080 -5.834 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.312 -4.966 4.493 1.00 0.00 H new ATOM 220 N ARG A 18 -2.311 -7.193 2.353 1.00 0.00 N ATOM 221 CA ARG A 18 -3.150 -7.966 1.446 1.00 0.00 C ATOM 222 C ARG A 18 -2.440 -9.242 1.003 1.00 0.00 C ATOM 223 O ARG A 18 -3.018 -10.330 1.033 1.00 0.00 O ATOM 224 CB ARG A 18 -3.524 -7.127 0.222 1.00 0.00 C ATOM 225 CG ARG A 18 -4.870 -7.496 -0.380 1.00 0.00 C ATOM 226 CD ARG A 18 -4.941 -7.124 -1.853 1.00 0.00 C ATOM 227 NE ARG A 18 -6.308 -6.833 -2.279 1.00 0.00 N ATOM 228 CZ ARG A 18 -6.980 -5.751 -1.903 1.00 0.00 C ATOM 229 NH1 ARG A 18 -6.415 -4.861 -1.099 1.00 0.00 N ATOM 230 NH2 ARG A 18 -8.220 -5.556 -2.333 1.00 0.00 N ATOM 0 H ARG A 18 -2.070 -6.262 2.014 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.059 -8.243 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.538 -6.074 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.751 -7.243 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.040 -8.566 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.665 -6.987 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.311 -6.254 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.541 -7.941 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.771 -7.497 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.461 -5.006 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.934 -4.031 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.658 -6.237 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.735 -4.725 -2.044 1.00 0.00 H new ATOM 244 N LEU A 19 -1.184 -9.102 0.592 1.00 0.00 N ATOM 245 CA LEU A 19 -0.395 -10.243 0.142 1.00 0.00 C ATOM 246 C LEU A 19 -0.420 -11.364 1.176 1.00 0.00 C ATOM 247 O LEU A 19 -0.662 -12.524 0.844 1.00 0.00 O ATOM 248 CB LEU A 19 1.049 -9.815 -0.128 1.00 0.00 C ATOM 249 CG LEU A 19 1.328 -9.234 -1.514 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.593 -8.390 -1.494 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.445 -10.348 -2.545 1.00 0.00 C ATOM 0 H LEU A 19 -0.691 -8.210 0.561 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.836 -10.616 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.333 -9.073 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.697 -10.679 0.019 1.00 0.00 H new ATOM 0 HG LEU A 19 0.492 -8.593 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.776 -7.985 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.473 -7.571 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.439 -9.009 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.644 -9.916 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.262 -11.014 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.513 -10.912 -2.579 1.00 0.00 H new ATOM 263 N VAL A 20 -0.169 -11.009 2.433 1.00 0.00 N ATOM 264 CA VAL A 20 -0.166 -11.984 3.517 1.00 0.00 C ATOM 265 C VAL A 20 -1.365 -11.786 4.438 1.00 0.00 C ATOM 266 O VAL A 20 -1.264 -11.187 5.508 1.00 0.00 O ATOM 267 CB VAL A 20 1.127 -11.894 4.349 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.097 -12.897 5.492 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.345 -12.117 3.465 1.00 0.00 C ATOM 0 H VAL A 20 0.035 -10.053 2.725 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.225 -12.970 3.056 1.00 0.00 H new ATOM 0 HB VAL A 20 1.195 -10.894 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.019 -12.819 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.245 -12.686 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.006 -13.906 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.250 -12.050 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.286 -13.104 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.372 -11.356 2.685 1.00 0.00 H new ATOM 279 N PRO A 21 -2.528 -12.301 4.013 1.00 0.00 N ATOM 280 CA PRO A 21 -3.770 -12.194 4.786 1.00 0.00 C ATOM 281 C PRO A 21 -3.741 -13.046 6.050 1.00 0.00 C ATOM 282 O PRO A 21 -2.858 -13.887 6.224 1.00 0.00 O ATOM 283 CB PRO A 21 -4.836 -12.711 3.817 1.00 0.00 C ATOM 284 CG PRO A 21 -4.099 -13.614 2.889 1.00 0.00 C ATOM 285 CD PRO A 21 -2.722 -13.028 2.747 1.00 0.00 C ATOM 0 HA PRO A 21 -3.948 -11.176 5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.625 -13.245 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.311 -11.892 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.052 -14.628 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.600 -13.673 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.968 -13.803 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.656 -12.362 1.887 1.00 0.00 H new ATOM 293 N LEU A 22 -4.711 -12.824 6.930 1.00 0.00 N ATOM 294 CA LEU A 22 -4.798 -13.573 8.179 1.00 0.00 C ATOM 295 C LEU A 22 -6.189 -14.172 8.360 1.00 0.00 C ATOM 296 O LEU A 22 -7.120 -13.490 8.787 1.00 0.00 O ATOM 297 CB LEU A 22 -4.463 -12.666 9.364 1.00 0.00 C ATOM 298 CG LEU A 22 -4.025 -13.372 10.647 1.00 0.00 C ATOM 299 CD1 LEU A 22 -2.836 -14.282 10.377 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.685 -12.355 11.727 1.00 0.00 C ATOM 0 H LEU A 22 -5.449 -12.131 6.802 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.075 -14.388 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.670 -11.983 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.339 -12.057 9.589 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.853 -13.985 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.538 -14.776 11.302 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.113 -15.033 9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.003 -13.690 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.375 -12.876 12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.873 -11.715 11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.562 -11.745 11.941 1.00 0.00 H new ATOM 312 N VAL A 23 -6.322 -15.454 8.033 1.00 0.00 N ATOM 313 CA VAL A 23 -7.598 -16.147 8.162 1.00 0.00 C ATOM 314 C VAL A 23 -7.574 -17.131 9.326 1.00 0.00 C ATOM 315 O VAL A 23 -8.584 -17.340 9.997 1.00 0.00 O ATOM 316 CB VAL A 23 -7.959 -16.905 6.870 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.311 -15.928 5.759 1.00 0.00 C ATOM 318 CG2 VAL A 23 -6.814 -17.814 6.450 1.00 0.00 C ATOM 0 H VAL A 23 -5.562 -16.033 7.677 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.354 -15.385 8.350 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.833 -17.526 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.563 -16.481 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.165 -15.323 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.458 -15.279 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.085 -18.342 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.921 -17.215 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.614 -18.537 7.241 1.00 0.00 H new ATOM 328 N ASN A 24 -6.413 -17.734 9.559 1.00 0.00 N ATOM 329 CA ASN A 24 -6.256 -18.697 10.643 1.00 0.00 C ATOM 330 C ASN A 24 -5.473 -18.089 11.803 1.00 0.00 C ATOM 331 O ASN A 24 -4.682 -18.768 12.456 1.00 0.00 O ATOM 332 CB ASN A 24 -5.545 -19.954 10.137 1.00 0.00 C ATOM 333 CG ASN A 24 -6.313 -20.645 9.026 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.530 -20.809 9.107 1.00 0.00 O ATOM 335 ND2 ASN A 24 -5.602 -21.053 7.982 1.00 0.00 N ATOM 0 H ASN A 24 -5.567 -17.573 9.012 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.249 -18.968 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.552 -19.686 9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.407 -20.648 10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.063 -21.524 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.595 -20.895 7.958 1.00 0.00 H new ATOM 342 N GLY A 25 -5.701 -16.803 12.053 1.00 0.00 N ATOM 343 CA GLY A 25 -5.010 -16.125 13.134 1.00 0.00 C ATOM 344 C GLY A 25 -3.509 -16.326 13.080 1.00 0.00 C ATOM 345 O GLY A 25 -2.818 -16.179 14.088 1.00 0.00 O ATOM 0 H GLY A 25 -6.351 -16.219 11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.232 -15.059 13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.388 -16.491 14.089 1.00 0.00 H new ATOM 349 N VAL A 26 -3.001 -16.664 11.899 1.00 0.00 N ATOM 350 CA VAL A 26 -1.572 -16.887 11.717 1.00 0.00 C ATOM 351 C VAL A 26 -1.125 -16.476 10.318 1.00 0.00 C ATOM 352 O VAL A 26 -1.606 -17.013 9.319 1.00 0.00 O ATOM 353 CB VAL A 26 -1.199 -18.363 11.950 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.282 -18.589 11.683 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.566 -18.788 13.363 1.00 0.00 C ATOM 0 H VAL A 26 -3.558 -16.789 11.054 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.060 -16.270 12.455 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.767 -18.978 11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.526 -19.638 11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.510 -18.326 10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.872 -17.965 12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.296 -19.834 13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.027 -18.169 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.639 -18.666 13.512 1.00 0.00 H new ATOM 365 N ARG A 27 -0.203 -15.521 10.253 1.00 0.00 N ATOM 366 CA ARG A 27 0.307 -15.038 8.976 1.00 0.00 C ATOM 367 C ARG A 27 1.288 -16.037 8.369 1.00 0.00 C ATOM 368 O ARG A 27 2.167 -16.553 9.057 1.00 0.00 O ATOM 369 CB ARG A 27 0.992 -13.681 9.157 1.00 0.00 C ATOM 370 CG ARG A 27 0.020 -12.515 9.241 1.00 0.00 C ATOM 371 CD ARG A 27 0.747 -11.180 9.187 1.00 0.00 C ATOM 372 NE ARG A 27 -0.072 -10.090 9.711 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.119 -9.583 9.068 1.00 0.00 C ATOM 374 NH1 ARG A 27 -1.471 -10.065 7.885 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.815 -8.592 9.610 1.00 0.00 N ATOM 0 H ARG A 27 0.206 -15.067 11.070 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.537 -14.924 8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.595 -13.706 10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.675 -13.514 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.694 -12.575 8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.552 -12.582 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.671 -11.247 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.026 -10.961 8.157 1.00 0.00 H new ATOM 0 HE ARG A 27 0.173 -9.697 10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.938 -10.827 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.275 -9.674 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.547 -8.219 10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.618 -8.203 9.116 1.00 0.00 H new ATOM 389 N GLU A 28 1.128 -16.304 7.077 1.00 0.00 N ATOM 390 CA GLU A 28 1.999 -17.243 6.378 1.00 0.00 C ATOM 391 C GLU A 28 2.022 -16.952 4.881 1.00 0.00 C ATOM 392 O GLU A 28 1.160 -16.243 4.361 1.00 0.00 O ATOM 393 CB GLU A 28 1.536 -18.681 6.623 1.00 0.00 C ATOM 394 CG GLU A 28 1.911 -19.216 7.994 1.00 0.00 C ATOM 395 CD GLU A 28 1.751 -20.721 8.096 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.944 -21.285 7.328 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.433 -21.334 8.944 1.00 0.00 O ATOM 0 H GLU A 28 0.405 -15.884 6.493 1.00 0.00 H new ATOM 0 HA GLU A 28 3.009 -17.123 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.453 -18.730 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.968 -19.328 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.944 -18.948 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.289 -18.736 8.750 1.00 0.00 H new ATOM 404 N PHE A 29 3.015 -17.505 4.192 1.00 0.00 N ATOM 405 CA PHE A 29 3.153 -17.304 2.754 1.00 0.00 C ATOM 406 C PHE A 29 2.440 -18.409 1.980 1.00 0.00 C ATOM 407 O PHE A 29 2.002 -19.403 2.558 1.00 0.00 O ATOM 408 CB PHE A 29 4.632 -17.264 2.363 1.00 0.00 C ATOM 409 CG PHE A 29 5.313 -15.975 2.725 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.789 -14.760 2.313 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.478 -15.979 3.476 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.414 -13.572 2.644 1.00 0.00 C ATOM 413 CE2 PHE A 29 7.106 -14.794 3.810 1.00 0.00 C ATOM 414 CZ PHE A 29 6.574 -13.589 3.393 1.00 0.00 C ATOM 0 H PHE A 29 3.736 -18.096 4.606 1.00 0.00 H new ATOM 0 HA PHE A 29 2.691 -16.350 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.151 -18.089 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.720 -17.423 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.882 -14.741 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.899 -16.918 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.995 -12.632 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.012 -14.810 4.397 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.064 -12.662 3.652 1.00 0.00 H new ATOM 424 N SER A 30 2.328 -18.226 0.668 1.00 0.00 N ATOM 425 CA SER A 30 1.665 -19.205 -0.186 1.00 0.00 C ATOM 426 C SER A 30 2.608 -19.700 -1.278 1.00 0.00 C ATOM 427 O SER A 30 3.518 -18.986 -1.698 1.00 0.00 O ATOM 428 CB SER A 30 0.411 -18.595 -0.816 1.00 0.00 C ATOM 429 OG SER A 30 -0.085 -19.416 -1.860 1.00 0.00 O ATOM 0 H SER A 30 2.688 -17.409 0.174 1.00 0.00 H new ATOM 0 HA SER A 30 1.376 -20.055 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.357 -18.466 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.641 -17.604 -1.207 1.00 0.00 H new ATOM 0 HG SER A 30 -0.887 -19.006 -2.246 1.00 0.00 H new ATOM 435 N GLU A 31 2.382 -20.929 -1.733 1.00 0.00 N ATOM 436 CA GLU A 31 3.212 -21.520 -2.776 1.00 0.00 C ATOM 437 C GLU A 31 3.641 -20.467 -3.793 1.00 0.00 C ATOM 438 O GLU A 31 4.782 -20.464 -4.256 1.00 0.00 O ATOM 439 CB GLU A 31 2.457 -22.649 -3.481 1.00 0.00 C ATOM 440 CG GLU A 31 1.143 -22.205 -4.104 1.00 0.00 C ATOM 441 CD GLU A 31 0.227 -23.370 -4.424 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.425 -24.007 -5.480 1.00 0.00 O ATOM 443 OE2 GLU A 31 -0.688 -23.645 -3.620 1.00 0.00 O ATOM 0 H GLU A 31 1.633 -21.533 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 31 4.106 -21.929 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.094 -23.071 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.259 -23.446 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.634 -21.524 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.348 -21.647 -5.018 1.00 0.00 H new ATOM 450 N ILE A 32 2.718 -19.575 -4.138 1.00 0.00 N ATOM 451 CA ILE A 32 3.000 -18.517 -5.099 1.00 0.00 C ATOM 452 C ILE A 32 4.056 -17.556 -4.565 1.00 0.00 C ATOM 453 O ILE A 32 5.141 -17.432 -5.134 1.00 0.00 O ATOM 454 CB ILE A 32 1.729 -17.722 -5.450 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.623 -18.667 -5.924 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.033 -16.679 -6.515 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.747 -18.028 -5.955 1.00 0.00 C ATOM 0 H ILE A 32 1.768 -19.565 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 32 3.376 -19.002 -6.000 1.00 0.00 H new ATOM 0 HB ILE A 32 1.382 -17.208 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.869 -19.029 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.594 -19.537 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.124 -16.126 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.791 -15.990 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.402 -17.173 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.480 -18.756 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.014 -17.691 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.735 -17.175 -6.633 1.00 0.00 H new ATOM 469 N GLN A 33 3.732 -16.879 -3.468 1.00 0.00 N ATOM 470 CA GLN A 33 4.654 -15.929 -2.856 1.00 0.00 C ATOM 471 C GLN A 33 6.055 -16.522 -2.752 1.00 0.00 C ATOM 472 O GLN A 33 7.021 -15.952 -3.261 1.00 0.00 O ATOM 473 CB GLN A 33 4.154 -15.523 -1.469 1.00 0.00 C ATOM 474 CG GLN A 33 2.802 -14.828 -1.489 1.00 0.00 C ATOM 475 CD GLN A 33 2.483 -14.136 -0.178 1.00 0.00 C ATOM 476 OE1 GLN A 33 3.205 -13.238 0.255 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.395 -14.550 0.461 1.00 0.00 N ATOM 0 H GLN A 33 2.838 -16.971 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 33 4.700 -15.044 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.087 -16.412 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.887 -14.861 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.786 -14.095 -2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.025 -15.560 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.825 -15.298 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.129 -14.120 1.347 1.00 0.00 H new ATOM 486 N LEU A 34 6.159 -17.668 -2.089 1.00 0.00 N ATOM 487 CA LEU A 34 7.444 -18.339 -1.917 1.00 0.00 C ATOM 488 C LEU A 34 8.186 -18.443 -3.245 1.00 0.00 C ATOM 489 O LEU A 34 9.242 -17.836 -3.427 1.00 0.00 O ATOM 490 CB LEU A 34 7.238 -19.734 -1.324 1.00 0.00 C ATOM 491 CG LEU A 34 6.387 -19.805 -0.055 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.655 -21.136 0.023 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.252 -19.597 1.179 1.00 0.00 C ATOM 0 H LEU A 34 5.370 -18.153 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 34 8.047 -17.745 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.776 -20.365 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.216 -20.162 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 34 5.645 -19.007 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.055 -21.168 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.005 -21.245 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.380 -21.950 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.630 -19.651 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.017 -20.372 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.730 -18.619 1.128 1.00 0.00 H new ATOM 505 N SER A 35 7.625 -19.214 -4.171 1.00 0.00 N ATOM 506 CA SER A 35 8.235 -19.399 -5.483 1.00 0.00 C ATOM 507 C SER A 35 8.779 -18.079 -6.020 1.00 0.00 C ATOM 508 O SER A 35 9.808 -18.048 -6.696 1.00 0.00 O ATOM 509 CB SER A 35 7.216 -19.981 -6.465 1.00 0.00 C ATOM 510 OG SER A 35 7.861 -20.681 -7.514 1.00 0.00 O ATOM 0 H SER A 35 6.750 -19.720 -4.037 1.00 0.00 H new ATOM 0 HA SER A 35 9.065 -20.097 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.540 -20.653 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.607 -19.178 -6.880 1.00 0.00 H new ATOM 0 HG SER A 35 7.188 -21.044 -8.127 1.00 0.00 H new ATOM 516 N ARG A 36 8.081 -16.990 -5.715 1.00 0.00 N ATOM 517 CA ARG A 36 8.492 -15.666 -6.167 1.00 0.00 C ATOM 518 C ARG A 36 9.656 -15.144 -5.331 1.00 0.00 C ATOM 519 O ARG A 36 10.616 -14.585 -5.864 1.00 0.00 O ATOM 520 CB ARG A 36 7.317 -14.690 -6.091 1.00 0.00 C ATOM 521 CG ARG A 36 6.180 -15.030 -7.042 1.00 0.00 C ATOM 522 CD ARG A 36 5.134 -13.928 -7.075 1.00 0.00 C ATOM 523 NE ARG A 36 4.115 -14.108 -6.045 1.00 0.00 N ATOM 524 CZ ARG A 36 2.986 -13.410 -5.997 1.00 0.00 C ATOM 525 NH1 ARG A 36 2.732 -12.490 -6.917 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.107 -13.633 -5.028 1.00 0.00 N ATOM 0 H ARG A 36 7.228 -16.998 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 36 8.820 -15.749 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.934 -14.675 -5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.676 -13.685 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.577 -15.186 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.714 -15.966 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.621 -12.962 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.658 -13.909 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 36 4.279 -14.809 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.404 -12.317 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.864 -11.955 -6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.298 -14.341 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.240 -13.096 -4.992 1.00 0.00 H new ATOM 540 N LEU A 37 9.565 -15.327 -4.018 1.00 0.00 N ATOM 541 CA LEU A 37 10.610 -14.874 -3.107 1.00 0.00 C ATOM 542 C LEU A 37 11.933 -15.570 -3.407 1.00 0.00 C ATOM 543 O LEU A 37 12.989 -14.937 -3.430 1.00 0.00 O ATOM 544 CB LEU A 37 10.199 -15.137 -1.657 1.00 0.00 C ATOM 545 CG LEU A 37 9.020 -14.317 -1.134 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.423 -14.970 0.103 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.455 -12.891 -0.830 1.00 0.00 C ATOM 0 H LEU A 37 8.778 -15.786 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 37 10.744 -13.802 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.953 -16.194 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.060 -14.947 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 37 8.253 -14.284 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.585 -14.372 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.074 -15.972 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.182 -15.035 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.603 -12.322 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.240 -12.903 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.834 -12.425 -1.739 1.00 0.00 H new ATOM 559 N LYS A 38 11.869 -16.877 -3.639 1.00 0.00 N ATOM 560 CA LYS A 38 13.062 -17.660 -3.942 1.00 0.00 C ATOM 561 C LYS A 38 13.940 -16.941 -4.961 1.00 0.00 C ATOM 562 O LYS A 38 15.136 -16.751 -4.741 1.00 0.00 O ATOM 563 CB LYS A 38 12.669 -19.040 -4.475 1.00 0.00 C ATOM 564 CG LYS A 38 12.103 -19.964 -3.410 1.00 0.00 C ATOM 565 CD LYS A 38 12.259 -21.424 -3.800 1.00 0.00 C ATOM 566 CE LYS A 38 11.997 -22.347 -2.619 1.00 0.00 C ATOM 567 NZ LYS A 38 10.540 -22.549 -2.386 1.00 0.00 N ATOM 0 H LYS A 38 11.004 -17.417 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 38 13.631 -17.782 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.931 -18.918 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.544 -19.510 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.611 -19.783 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.048 -19.739 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.568 -21.661 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.266 -21.595 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.473 -23.311 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.454 -21.928 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.403 -23.183 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.090 -21.632 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.109 -22.972 -3.232 1.00 0.00 H new ATOM 581 N LYS A 39 13.339 -16.543 -6.077 1.00 0.00 N ATOM 582 CA LYS A 39 14.065 -15.842 -7.130 1.00 0.00 C ATOM 583 C LYS A 39 14.899 -14.704 -6.551 1.00 0.00 C ATOM 584 O LYS A 39 16.080 -14.559 -6.872 1.00 0.00 O ATOM 585 CB LYS A 39 13.090 -15.294 -8.174 1.00 0.00 C ATOM 586 CG LYS A 39 12.630 -16.334 -9.181 1.00 0.00 C ATOM 587 CD LYS A 39 11.467 -17.153 -8.646 1.00 0.00 C ATOM 588 CE LYS A 39 10.682 -17.808 -9.772 1.00 0.00 C ATOM 589 NZ LYS A 39 11.428 -18.944 -10.381 1.00 0.00 N ATOM 0 H LYS A 39 12.350 -16.694 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 39 14.737 -16.554 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.218 -14.883 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.566 -14.470 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.333 -15.840 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.460 -16.996 -9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.842 -17.920 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.805 -16.511 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.726 -18.165 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.460 -17.066 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.859 -19.363 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.329 -18.599 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.618 -19.664 -9.655 1.00 0.00 H new ATOM 603 N LEU A 40 14.280 -13.899 -5.695 1.00 0.00 N ATOM 604 CA LEU A 40 14.965 -12.774 -5.069 1.00 0.00 C ATOM 605 C LEU A 40 16.085 -13.259 -4.154 1.00 0.00 C ATOM 606 O LEU A 40 17.105 -12.590 -3.995 1.00 0.00 O ATOM 607 CB LEU A 40 13.973 -11.925 -4.273 1.00 0.00 C ATOM 608 CG LEU A 40 12.843 -11.281 -5.078 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.657 -10.971 -4.179 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.335 -10.019 -5.771 1.00 0.00 C ATOM 0 H LEU A 40 13.304 -14.005 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 40 15.404 -12.164 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.529 -12.551 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.527 -11.135 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 40 12.518 -11.987 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.863 -10.513 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.290 -11.894 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.967 -10.283 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.518 -9.574 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.687 -9.308 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.152 -10.270 -6.447 1.00 0.00 H new ATOM 622 N GLY A 41 15.888 -14.430 -3.556 1.00 0.00 N ATOM 623 CA GLY A 41 16.890 -14.987 -2.666 1.00 0.00 C ATOM 624 C GLY A 41 16.508 -14.851 -1.205 1.00 0.00 C ATOM 625 O GLY A 41 17.370 -14.879 -0.326 1.00 0.00 O ATOM 0 H GLY A 41 15.052 -15.003 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.037 -16.041 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.843 -14.486 -2.837 1.00 0.00 H new ATOM 629 N ILE A 42 15.214 -14.701 -0.945 1.00 0.00 N ATOM 630 CA ILE A 42 14.721 -14.559 0.419 1.00 0.00 C ATOM 631 C ILE A 42 14.205 -15.889 0.958 1.00 0.00 C ATOM 632 O ILE A 42 13.066 -16.278 0.696 1.00 0.00 O ATOM 633 CB ILE A 42 13.595 -13.512 0.505 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.101 -12.147 0.034 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.060 -13.424 1.926 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.000 -11.225 -0.441 1.00 0.00 C ATOM 0 H ILE A 42 14.488 -14.675 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 42 15.563 -14.225 1.025 1.00 0.00 H new ATOM 0 HB ILE A 42 12.780 -13.822 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.639 -11.666 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.816 -12.293 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.265 -12.680 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.666 -14.395 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.866 -13.135 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.432 -10.276 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.477 -11.685 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.297 -11.048 0.373 1.00 0.00 H new ATOM 648 N HIS A 43 15.050 -16.583 1.715 1.00 0.00 N ATOM 649 CA HIS A 43 14.679 -17.869 2.293 1.00 0.00 C ATOM 650 C HIS A 43 14.006 -17.681 3.650 1.00 0.00 C ATOM 651 O HIS A 43 14.322 -18.378 4.614 1.00 0.00 O ATOM 652 CB HIS A 43 15.912 -18.760 2.442 1.00 0.00 C ATOM 653 CG HIS A 43 16.273 -19.497 1.189 1.00 0.00 C ATOM 654 ND1 HIS A 43 15.335 -20.057 0.348 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.479 -19.764 0.635 1.00 0.00 C ATOM 656 CE1 HIS A 43 15.947 -20.637 -0.668 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.249 -20.473 -0.518 1.00 0.00 N ATOM 0 H HIS A 43 15.996 -16.276 1.942 1.00 0.00 H new ATOM 0 HA HIS A 43 13.971 -18.351 1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.759 -18.146 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 43 15.735 -19.481 3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.443 -19.473 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.465 -21.157 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.967 -20.817 -1.155 1.00 0.00 H new ATOM 666 N LYS A 44 13.077 -16.733 3.718 1.00 0.00 N ATOM 667 CA LYS A 44 12.359 -16.452 4.955 1.00 0.00 C ATOM 668 C LYS A 44 10.897 -16.874 4.843 1.00 0.00 C ATOM 669 O LYS A 44 10.128 -16.290 4.078 1.00 0.00 O ATOM 670 CB LYS A 44 12.447 -14.962 5.293 1.00 0.00 C ATOM 671 CG LYS A 44 13.838 -14.512 5.702 1.00 0.00 C ATOM 672 CD LYS A 44 14.066 -13.043 5.384 1.00 0.00 C ATOM 673 CE LYS A 44 15.471 -12.602 5.763 1.00 0.00 C ATOM 674 NZ LYS A 44 16.468 -12.970 4.721 1.00 0.00 N ATOM 0 H LYS A 44 12.804 -16.146 2.930 1.00 0.00 H new ATOM 0 HA LYS A 44 12.825 -17.027 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.127 -14.382 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.750 -14.740 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.976 -14.679 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.583 -15.117 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.904 -12.871 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.336 -12.436 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.485 -11.522 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.752 -13.059 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.413 -12.652 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.474 -14.002 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.215 -12.513 3.822 1.00 0.00 H new ATOM 688 N THR A 45 10.519 -17.890 5.613 1.00 0.00 N ATOM 689 CA THR A 45 9.150 -18.389 5.600 1.00 0.00 C ATOM 690 C THR A 45 8.243 -17.528 6.473 1.00 0.00 C ATOM 691 O THR A 45 7.065 -17.342 6.166 1.00 0.00 O ATOM 692 CB THR A 45 9.079 -19.848 6.089 1.00 0.00 C ATOM 693 OG1 THR A 45 9.417 -19.916 7.479 1.00 0.00 O ATOM 694 CG2 THR A 45 10.022 -20.733 5.289 1.00 0.00 C ATOM 0 H THR A 45 11.142 -18.383 6.253 1.00 0.00 H new ATOM 0 HA THR A 45 8.807 -18.343 4.567 1.00 0.00 H new ATOM 0 HB THR A 45 8.060 -20.207 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.368 -20.847 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.955 -21.758 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.744 -20.702 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.044 -20.374 5.405 1.00 0.00 H new ATOM 702 N ASP A 46 8.798 -17.005 7.560 1.00 0.00 N ATOM 703 CA ASP A 46 8.040 -16.162 8.476 1.00 0.00 C ATOM 704 C ASP A 46 7.869 -14.757 7.907 1.00 0.00 C ATOM 705 O ASP A 46 8.836 -14.085 7.548 1.00 0.00 O ATOM 706 CB ASP A 46 8.737 -16.094 9.836 1.00 0.00 C ATOM 707 CG ASP A 46 8.234 -14.944 10.687 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.055 -14.561 10.532 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.020 -14.427 11.509 1.00 0.00 O ATOM 0 H ASP A 46 9.771 -17.150 7.829 1.00 0.00 H new ATOM 0 HA ASP A 46 7.052 -16.605 8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.580 -17.032 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.811 -15.988 9.686 1.00 0.00 H new ATOM 714 N PRO A 47 6.610 -14.302 7.821 1.00 0.00 N ATOM 715 CA PRO A 47 6.283 -12.973 7.295 1.00 0.00 C ATOM 716 C PRO A 47 6.727 -11.855 8.231 1.00 0.00 C ATOM 717 O PRO A 47 6.483 -10.677 7.966 1.00 0.00 O ATOM 718 CB PRO A 47 4.757 -13.002 7.183 1.00 0.00 C ATOM 719 CG PRO A 47 4.322 -14.012 8.188 1.00 0.00 C ATOM 720 CD PRO A 47 5.409 -15.050 8.230 1.00 0.00 C ATOM 0 HA PRO A 47 6.790 -12.772 6.351 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.326 -12.023 7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.439 -13.281 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.183 -13.553 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.368 -14.457 7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.521 -15.475 9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.201 -15.878 7.552 1.00 0.00 H new ATOM 728 N SER A 48 7.381 -12.229 9.326 1.00 0.00 N ATOM 729 CA SER A 48 7.857 -11.257 10.303 1.00 0.00 C ATOM 730 C SER A 48 9.359 -11.032 10.159 1.00 0.00 C ATOM 731 O SER A 48 9.848 -9.911 10.300 1.00 0.00 O ATOM 732 CB SER A 48 7.534 -11.729 11.722 1.00 0.00 C ATOM 733 OG SER A 48 7.477 -10.636 12.622 1.00 0.00 O ATOM 0 H SER A 48 7.593 -13.199 9.559 1.00 0.00 H new ATOM 0 HA SER A 48 7.347 -10.312 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.580 -12.257 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.292 -12.439 12.054 1.00 0.00 H new ATOM 0 HG SER A 48 7.268 -10.964 13.522 1.00 0.00 H new ATOM 739 N THR A 49 10.088 -12.108 9.877 1.00 0.00 N ATOM 740 CA THR A 49 11.534 -12.030 9.715 1.00 0.00 C ATOM 741 C THR A 49 11.914 -11.011 8.647 1.00 0.00 C ATOM 742 O THR A 49 12.711 -10.105 8.895 1.00 0.00 O ATOM 743 CB THR A 49 12.131 -13.399 9.336 1.00 0.00 C ATOM 744 OG1 THR A 49 11.398 -13.969 8.246 1.00 0.00 O ATOM 745 CG2 THR A 49 12.103 -14.349 10.524 1.00 0.00 C ATOM 0 H THR A 49 9.700 -13.044 9.756 1.00 0.00 H new ATOM 0 HA THR A 49 11.943 -11.716 10.675 1.00 0.00 H new ATOM 0 HB THR A 49 13.168 -13.248 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.469 -14.119 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.529 -15.309 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.686 -13.926 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.073 -14.494 10.850 1.00 0.00 H new ATOM 753 N LEU A 50 11.338 -11.162 7.460 1.00 0.00 N ATOM 754 CA LEU A 50 11.616 -10.252 6.353 1.00 0.00 C ATOM 755 C LEU A 50 11.723 -8.813 6.846 1.00 0.00 C ATOM 756 O LEU A 50 10.967 -8.385 7.719 1.00 0.00 O ATOM 757 CB LEU A 50 10.520 -10.360 5.291 1.00 0.00 C ATOM 758 CG LEU A 50 10.661 -11.512 4.296 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.986 -12.766 4.831 1.00 0.00 C ATOM 760 CD2 LEU A 50 10.076 -11.125 2.946 1.00 0.00 C ATOM 0 H LEU A 50 10.676 -11.905 7.239 1.00 0.00 H new ATOM 0 HA LEU A 50 12.571 -10.537 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.560 -10.459 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.490 -9.425 4.732 1.00 0.00 H new ATOM 0 HG LEU A 50 11.722 -11.724 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.097 -13.575 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.450 -13.055 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.927 -12.568 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.185 -11.957 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.019 -10.886 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.604 -10.255 2.557 1.00 0.00 H new ATOM 772 N THR A 51 12.666 -8.067 6.278 1.00 0.00 N ATOM 773 CA THR A 51 12.871 -6.675 6.658 1.00 0.00 C ATOM 774 C THR A 51 12.274 -5.729 5.623 1.00 0.00 C ATOM 775 O THR A 51 12.027 -6.119 4.482 1.00 0.00 O ATOM 776 CB THR A 51 14.368 -6.354 6.826 1.00 0.00 C ATOM 777 OG1 THR A 51 14.537 -4.978 7.184 1.00 0.00 O ATOM 778 CG2 THR A 51 15.132 -6.647 5.544 1.00 0.00 C ATOM 0 H THR A 51 13.300 -8.404 5.553 1.00 0.00 H new ATOM 0 HA THR A 51 12.366 -6.530 7.613 1.00 0.00 H new ATOM 0 HB THR A 51 14.765 -6.987 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.491 -4.783 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.187 -6.412 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 51 15.026 -7.702 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.731 -6.037 4.734 1.00 0.00 H new ATOM 786 N GLU A 52 12.044 -4.484 6.029 1.00 0.00 N ATOM 787 CA GLU A 52 11.475 -3.482 5.135 1.00 0.00 C ATOM 788 C GLU A 52 12.056 -3.614 3.730 1.00 0.00 C ATOM 789 O GLU A 52 11.331 -3.536 2.738 1.00 0.00 O ATOM 790 CB GLU A 52 11.736 -2.076 5.676 1.00 0.00 C ATOM 791 CG GLU A 52 13.209 -1.766 5.882 1.00 0.00 C ATOM 792 CD GLU A 52 13.436 -0.417 6.536 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.769 0.558 6.133 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.282 -0.337 7.451 1.00 0.00 O ATOM 0 H GLU A 52 12.243 -4.145 6.970 1.00 0.00 H new ATOM 0 HA GLU A 52 10.399 -3.649 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.313 -1.346 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.213 -1.958 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.657 -2.545 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.719 -1.789 4.919 1.00 0.00 H new ATOM 801 N GLU A 53 13.368 -3.814 3.655 1.00 0.00 N ATOM 802 CA GLU A 53 14.046 -3.955 2.371 1.00 0.00 C ATOM 803 C GLU A 53 13.467 -5.120 1.575 1.00 0.00 C ATOM 804 O GLU A 53 13.266 -5.019 0.365 1.00 0.00 O ATOM 805 CB GLU A 53 15.547 -4.163 2.583 1.00 0.00 C ATOM 806 CG GLU A 53 16.334 -4.278 1.288 1.00 0.00 C ATOM 807 CD GLU A 53 17.833 -4.204 1.508 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.376 -5.088 2.202 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.462 -3.260 0.985 1.00 0.00 O ATOM 0 H GLU A 53 13.982 -3.882 4.467 1.00 0.00 H new ATOM 0 HA GLU A 53 13.890 -3.038 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.942 -3.331 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.700 -5.067 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.088 -5.221 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.030 -3.480 0.610 1.00 0.00 H new ATOM 816 N GLU A 54 13.202 -6.226 2.263 1.00 0.00 N ATOM 817 CA GLU A 54 12.647 -7.411 1.620 1.00 0.00 C ATOM 818 C GLU A 54 11.154 -7.238 1.356 1.00 0.00 C ATOM 819 O GLU A 54 10.625 -7.742 0.365 1.00 0.00 O ATOM 820 CB GLU A 54 12.882 -8.648 2.489 1.00 0.00 C ATOM 821 CG GLU A 54 14.350 -8.920 2.775 1.00 0.00 C ATOM 822 CD GLU A 54 15.221 -8.775 1.543 1.00 0.00 C ATOM 823 OE1 GLU A 54 14.950 -9.469 0.540 1.00 0.00 O ATOM 824 OE2 GLU A 54 16.174 -7.969 1.580 1.00 0.00 O ATOM 0 H GLU A 54 13.363 -6.326 3.265 1.00 0.00 H new ATOM 0 HA GLU A 54 13.154 -7.545 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.353 -8.524 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.450 -9.517 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.700 -8.233 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.458 -9.928 3.175 1.00 0.00 H new ATOM 831 N VAL A 55 10.480 -6.523 2.251 1.00 0.00 N ATOM 832 CA VAL A 55 9.048 -6.282 2.115 1.00 0.00 C ATOM 833 C VAL A 55 8.750 -5.407 0.903 1.00 0.00 C ATOM 834 O VAL A 55 7.915 -5.751 0.067 1.00 0.00 O ATOM 835 CB VAL A 55 8.470 -5.610 3.375 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.001 -5.271 3.173 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.657 -6.506 4.590 1.00 0.00 C ATOM 0 H VAL A 55 10.902 -6.101 3.078 1.00 0.00 H new ATOM 0 HA VAL A 55 8.575 -7.255 1.981 1.00 0.00 H new ATOM 0 HB VAL A 55 9.012 -4.681 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.610 -4.797 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.898 -4.588 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.441 -6.184 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.243 -6.016 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.143 -7.453 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.720 -6.692 4.744 1.00 0.00 H new ATOM 847 N ARG A 56 9.438 -4.273 0.815 1.00 0.00 N ATOM 848 CA ARG A 56 9.247 -3.348 -0.295 1.00 0.00 C ATOM 849 C ARG A 56 9.468 -4.049 -1.632 1.00 0.00 C ATOM 850 O ARG A 56 8.685 -3.885 -2.568 1.00 0.00 O ATOM 851 CB ARG A 56 10.201 -2.159 -0.166 1.00 0.00 C ATOM 852 CG ARG A 56 11.669 -2.543 -0.268 1.00 0.00 C ATOM 853 CD ARG A 56 12.574 -1.337 -0.076 1.00 0.00 C ATOM 854 NE ARG A 56 12.711 -0.554 -1.301 1.00 0.00 N ATOM 855 CZ ARG A 56 13.694 0.314 -1.513 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.622 0.509 -0.586 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.750 0.989 -2.654 1.00 0.00 N ATOM 0 H ARG A 56 10.132 -3.973 1.499 1.00 0.00 H new ATOM 0 HA ARG A 56 8.219 -2.986 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.969 -1.432 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.028 -1.667 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.902 -3.298 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.862 -2.993 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.172 -0.704 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.558 -1.671 0.252 1.00 0.00 H new ATOM 0 HE ARG A 56 12.013 -0.681 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.582 -0.008 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.376 1.176 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.038 0.842 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.505 1.655 -2.816 1.00 0.00 H new ATOM 871 N LYS A 57 10.539 -4.830 -1.715 1.00 0.00 N ATOM 872 CA LYS A 57 10.864 -5.557 -2.936 1.00 0.00 C ATOM 873 C LYS A 57 9.758 -6.544 -3.292 1.00 0.00 C ATOM 874 O LYS A 57 9.377 -6.672 -4.456 1.00 0.00 O ATOM 875 CB LYS A 57 12.193 -6.300 -2.773 1.00 0.00 C ATOM 876 CG LYS A 57 13.411 -5.433 -3.042 1.00 0.00 C ATOM 877 CD LYS A 57 14.697 -6.237 -2.955 1.00 0.00 C ATOM 878 CE LYS A 57 15.035 -6.594 -1.515 1.00 0.00 C ATOM 879 NZ LYS A 57 16.373 -7.237 -1.402 1.00 0.00 N ATOM 0 H LYS A 57 11.198 -4.976 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 57 10.956 -4.834 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.256 -6.696 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.208 -7.154 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.328 -4.984 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.443 -4.615 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.598 -7.149 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.516 -5.664 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.013 -5.693 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.274 -7.267 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.523 -7.556 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.421 -8.054 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.111 -6.551 -1.659 1.00 0.00 H new ATOM 893 N PHE A 58 9.244 -7.240 -2.283 1.00 0.00 N ATOM 894 CA PHE A 58 8.180 -8.215 -2.490 1.00 0.00 C ATOM 895 C PHE A 58 6.987 -7.577 -3.195 1.00 0.00 C ATOM 896 O PHE A 58 6.367 -8.189 -4.065 1.00 0.00 O ATOM 897 CB PHE A 58 7.738 -8.810 -1.151 1.00 0.00 C ATOM 898 CG PHE A 58 6.805 -9.980 -1.294 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.158 -11.072 -2.070 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.577 -9.985 -0.654 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.302 -12.150 -2.203 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.718 -11.060 -0.783 1.00 0.00 C ATOM 903 CZ PHE A 58 5.080 -12.143 -1.559 1.00 0.00 C ATOM 0 H PHE A 58 9.547 -7.147 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 58 8.569 -9.012 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.620 -9.125 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.248 -8.035 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.112 -11.082 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.287 -9.140 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.589 -12.996 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.764 -11.053 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.409 -12.983 -1.662 1.00 0.00 H new ATOM 913 N ALA A 59 6.671 -6.345 -2.812 1.00 0.00 N ATOM 914 CA ALA A 59 5.553 -5.623 -3.408 1.00 0.00 C ATOM 915 C ALA A 59 5.955 -4.987 -4.735 1.00 0.00 C ATOM 916 O ALA A 59 5.172 -4.962 -5.684 1.00 0.00 O ATOM 917 CB ALA A 59 5.037 -4.562 -2.447 1.00 0.00 C ATOM 0 H ALA A 59 7.173 -5.826 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 59 4.754 -6.338 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.203 -4.031 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.702 -5.038 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.836 -3.856 -2.221 1.00 0.00 H new ATOM 923 N ARG A 60 7.180 -4.473 -4.792 1.00 0.00 N ATOM 924 CA ARG A 60 7.684 -3.835 -6.002 1.00 0.00 C ATOM 925 C ARG A 60 7.258 -4.611 -7.244 1.00 0.00 C ATOM 926 O ARG A 60 6.850 -4.024 -8.247 1.00 0.00 O ATOM 927 CB ARG A 60 9.210 -3.731 -5.951 1.00 0.00 C ATOM 928 CG ARG A 60 9.713 -2.537 -5.155 1.00 0.00 C ATOM 929 CD ARG A 60 9.535 -1.239 -5.927 1.00 0.00 C ATOM 930 NE ARG A 60 10.175 -0.111 -5.255 1.00 0.00 N ATOM 931 CZ ARG A 60 10.097 1.143 -5.688 1.00 0.00 C ATOM 932 NH1 ARG A 60 9.410 1.427 -6.785 1.00 0.00 N ATOM 933 NH2 ARG A 60 10.707 2.115 -5.021 1.00 0.00 N ATOM 0 H ARG A 60 7.841 -4.486 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 60 7.259 -2.833 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.614 -4.644 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.596 -3.667 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.175 -2.476 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.767 -2.677 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.955 -1.351 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.472 -1.033 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 60 10.711 -0.296 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.939 0.682 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.352 2.390 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.236 1.900 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.647 3.077 -5.354 1.00 0.00 H new ATOM 947 N LEU A 61 7.356 -5.934 -7.171 1.00 0.00 N ATOM 948 CA LEU A 61 6.981 -6.792 -8.290 1.00 0.00 C ATOM 949 C LEU A 61 5.478 -7.049 -8.299 1.00 0.00 C ATOM 950 O LEU A 61 4.883 -7.276 -9.352 1.00 0.00 O ATOM 951 CB LEU A 61 7.737 -8.120 -8.216 1.00 0.00 C ATOM 952 CG LEU A 61 7.207 -9.138 -7.205 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.096 -9.974 -7.822 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.334 -10.030 -6.706 1.00 0.00 C ATOM 0 H LEU A 61 7.692 -6.436 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 61 7.249 -6.280 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.723 -8.579 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.779 -7.909 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 61 6.796 -8.596 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.731 -10.693 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.278 -9.322 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.482 -10.507 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.939 -10.748 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.775 -10.564 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.097 -9.418 -6.225 1.00 0.00 H new