USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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 -26:sc= 0.266 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 175:sc= 0.0168 USER MOD Single : A 17 ASN : amide:sc= -0.591 K(o=-0.59,f=-3.3!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.124 USER MOD Single : A 33 GLN : amide:sc= -1.79 K(o=-1.8,f=-5.4!) 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 X(o=0,f=-0.054) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.521 (180deg=-3.6!) 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 4:sc= -1.25 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.225 (180deg=-1.72!) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.337 2.507 1.402 1.00 0.00 N ATOM 109 CA THR A 11 3.251 2.271 0.291 1.00 0.00 C ATOM 110 C THR A 11 3.614 0.795 0.182 1.00 0.00 C ATOM 111 O THR A 11 3.246 0.125 -0.783 1.00 0.00 O ATOM 112 CB THR A 11 4.543 3.096 0.441 1.00 0.00 C ATOM 113 OG1 THR A 11 5.060 2.960 1.769 1.00 0.00 O ATOM 114 CG2 THR A 11 4.285 4.565 0.139 1.00 0.00 C ATOM 0 HA THR A 11 2.733 2.583 -0.616 1.00 0.00 H new ATOM 0 HB THR A 11 5.274 2.718 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.328 2.747 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.212 5.128 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.920 4.668 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.538 4.953 0.832 1.00 0.00 H new ATOM 122 N ASP A 12 4.337 0.293 1.177 1.00 0.00 N ATOM 123 CA ASP A 12 4.748 -1.106 1.194 1.00 0.00 C ATOM 124 C ASP A 12 3.843 -1.928 2.106 1.00 0.00 C ATOM 125 O ASP A 12 3.485 -3.062 1.786 1.00 0.00 O ATOM 126 CB ASP A 12 6.202 -1.226 1.655 1.00 0.00 C ATOM 127 CG ASP A 12 6.382 -0.840 3.109 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.205 -1.715 3.982 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.699 0.339 3.376 1.00 0.00 O ATOM 0 H ASP A 12 4.651 0.834 1.983 1.00 0.00 H new ATOM 0 HA ASP A 12 4.662 -1.497 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.543 -2.251 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.831 -0.590 1.033 1.00 0.00 H new ATOM 134 N LYS A 13 3.476 -1.349 3.244 1.00 0.00 N ATOM 135 CA LYS A 13 2.612 -2.026 4.204 1.00 0.00 C ATOM 136 C LYS A 13 1.238 -2.300 3.601 1.00 0.00 C ATOM 137 O LYS A 13 0.610 -3.316 3.897 1.00 0.00 O ATOM 138 CB LYS A 13 2.465 -1.183 5.473 1.00 0.00 C ATOM 139 CG LYS A 13 3.792 -0.795 6.102 1.00 0.00 C ATOM 140 CD LYS A 13 3.599 0.178 7.253 1.00 0.00 C ATOM 141 CE LYS A 13 4.805 1.091 7.418 1.00 0.00 C ATOM 142 NZ LYS A 13 5.883 0.448 8.219 1.00 0.00 N ATOM 0 H LYS A 13 3.764 -0.411 3.524 1.00 0.00 H new ATOM 0 HA LYS A 13 3.074 -2.980 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.907 -0.278 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.875 -1.739 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.301 -1.689 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.436 -0.344 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.707 0.779 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.432 -0.377 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.194 1.360 6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.496 2.017 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.686 1.102 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.520 0.214 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.197 -0.422 7.744 1.00 0.00 H new ATOM 156 N ALA A 14 0.777 -1.387 2.752 1.00 0.00 N ATOM 157 CA ALA A 14 -0.521 -1.532 2.104 1.00 0.00 C ATOM 158 C ALA A 14 -0.566 -2.788 1.241 1.00 0.00 C ATOM 159 O ALA A 14 -1.502 -3.583 1.332 1.00 0.00 O ATOM 160 CB ALA A 14 -0.833 -0.301 1.266 1.00 0.00 C ATOM 0 H ALA A 14 1.283 -0.539 2.497 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.279 -1.630 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.805 -0.423 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.852 0.580 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.066 -0.177 0.502 1.00 0.00 H new ATOM 166 N LEU A 15 0.449 -2.960 0.402 1.00 0.00 N ATOM 167 CA LEU A 15 0.525 -4.120 -0.479 1.00 0.00 C ATOM 168 C LEU A 15 0.843 -5.385 0.311 1.00 0.00 C ATOM 169 O LEU A 15 0.177 -6.409 0.158 1.00 0.00 O ATOM 170 CB LEU A 15 1.588 -3.898 -1.557 1.00 0.00 C ATOM 171 CG LEU A 15 1.150 -3.082 -2.774 1.00 0.00 C ATOM 172 CD1 LEU A 15 1.027 -1.610 -2.413 1.00 0.00 C ATOM 173 CD2 LEU A 15 2.128 -3.272 -3.924 1.00 0.00 C ATOM 0 H LEU A 15 1.231 -2.311 0.313 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.447 -4.247 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.443 -3.400 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.935 -4.872 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 15 0.171 -3.439 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.714 -1.045 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.287 -1.490 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.991 -1.238 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.800 -2.684 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.120 -2.943 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.165 -4.326 -4.200 1.00 0.00 H new ATOM 185 N TYR A 16 1.863 -5.306 1.158 1.00 0.00 N ATOM 186 CA TYR A 16 2.269 -6.445 1.974 1.00 0.00 C ATOM 187 C TYR A 16 1.063 -7.089 2.650 1.00 0.00 C ATOM 188 O TYR A 16 0.836 -8.292 2.524 1.00 0.00 O ATOM 189 CB TYR A 16 3.286 -6.006 3.029 1.00 0.00 C ATOM 190 CG TYR A 16 4.216 -7.113 3.471 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.835 -7.939 2.541 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.474 -7.334 4.818 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.685 -8.952 2.940 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.324 -8.343 5.226 1.00 0.00 C ATOM 195 CZ TYR A 16 5.927 -9.150 4.284 1.00 0.00 C ATOM 196 OH TYR A 16 6.773 -10.158 4.686 1.00 0.00 O ATOM 0 H TYR A 16 2.424 -4.466 1.298 1.00 0.00 H new ATOM 0 HA TYR A 16 2.731 -7.183 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.879 -5.183 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.752 -5.622 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.648 -7.786 1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.002 -6.706 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.158 -9.586 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.516 -8.499 6.277 1.00 0.00 H new ATOM 0 HH TYR A 16 6.900 -10.111 5.657 1.00 0.00 H new ATOM 206 N ASN A 17 0.291 -6.278 3.366 1.00 0.00 N ATOM 207 CA ASN A 17 -0.893 -6.768 4.063 1.00 0.00 C ATOM 208 C ASN A 17 -1.777 -7.584 3.125 1.00 0.00 C ATOM 209 O ASN A 17 -2.073 -8.749 3.392 1.00 0.00 O ATOM 210 CB ASN A 17 -1.689 -5.597 4.643 1.00 0.00 C ATOM 211 CG ASN A 17 -1.011 -4.978 5.849 1.00 0.00 C ATOM 212 OD1 ASN A 17 0.214 -4.875 5.902 1.00 0.00 O ATOM 213 ND2 ASN A 17 -1.808 -4.561 6.827 1.00 0.00 N ATOM 0 H ASN A 17 0.464 -5.279 3.479 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.564 -7.414 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.822 -4.836 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.683 -5.942 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.409 -4.136 7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.819 -4.666 6.741 1.00 0.00 H new ATOM 220 N ARG A 18 -2.194 -6.965 2.026 1.00 0.00 N ATOM 221 CA ARG A 18 -3.045 -7.633 1.048 1.00 0.00 C ATOM 222 C ARG A 18 -2.456 -8.983 0.649 1.00 0.00 C ATOM 223 O ARG A 18 -3.135 -10.009 0.704 1.00 0.00 O ATOM 224 CB ARG A 18 -3.222 -6.755 -0.191 1.00 0.00 C ATOM 225 CG ARG A 18 -3.903 -5.427 0.095 1.00 0.00 C ATOM 226 CD ARG A 18 -3.930 -4.537 -1.137 1.00 0.00 C ATOM 227 NE ARG A 18 -4.703 -3.318 -0.916 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.939 -2.415 -1.861 1.00 0.00 C ATOM 229 NH1 ARG A 18 -4.465 -2.594 -3.087 1.00 0.00 N ATOM 230 NH2 ARG A 18 -5.652 -1.331 -1.582 1.00 0.00 N ATOM 0 H ARG A 18 -1.957 -6.002 1.790 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.020 -7.802 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.244 -6.564 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.806 -7.301 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.922 -5.606 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.380 -4.915 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.910 -4.273 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.357 -5.090 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.083 -3.151 0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.918 -3.427 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.648 -1.899 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.019 -1.191 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.832 -0.638 -2.309 1.00 0.00 H new ATOM 244 N LEU A 19 -1.191 -8.975 0.246 1.00 0.00 N ATOM 245 CA LEU A 19 -0.510 -10.198 -0.164 1.00 0.00 C ATOM 246 C LEU A 19 -0.569 -11.250 0.939 1.00 0.00 C ATOM 247 O LEU A 19 -0.990 -12.384 0.708 1.00 0.00 O ATOM 248 CB LEU A 19 0.947 -9.900 -0.522 1.00 0.00 C ATOM 249 CG LEU A 19 1.168 -8.933 -1.686 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.601 -8.426 -1.694 1.00 0.00 C ATOM 251 CD2 LEU A 19 0.830 -9.605 -3.009 1.00 0.00 C ATOM 0 H LEU A 19 -0.615 -8.135 0.194 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.020 -10.590 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.441 -9.494 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.442 -10.842 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 19 0.503 -8.079 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.739 -7.739 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.808 -7.906 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.284 -9.268 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.993 -8.902 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.469 -10.477 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.214 -9.917 -3.002 1.00 0.00 H new ATOM 263 N VAL A 20 -0.147 -10.866 2.139 1.00 0.00 N ATOM 264 CA VAL A 20 -0.156 -11.774 3.280 1.00 0.00 C ATOM 265 C VAL A 20 -1.198 -11.354 4.310 1.00 0.00 C ATOM 266 O VAL A 20 -0.890 -10.708 5.313 1.00 0.00 O ATOM 267 CB VAL A 20 1.226 -11.836 3.958 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.203 -12.805 5.130 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.296 -12.229 2.952 1.00 0.00 C ATOM 0 H VAL A 20 0.206 -9.932 2.347 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.409 -12.762 2.896 1.00 0.00 H new ATOM 0 HB VAL A 20 1.467 -10.845 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.188 -12.835 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.465 -12.474 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.939 -13.801 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.266 -12.268 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.062 -13.209 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.329 -11.492 2.149 1.00 0.00 H new ATOM 279 N PRO A 21 -2.461 -11.727 4.060 1.00 0.00 N ATOM 280 CA PRO A 21 -3.575 -11.400 4.955 1.00 0.00 C ATOM 281 C PRO A 21 -3.505 -12.167 6.271 1.00 0.00 C ATOM 282 O PRO A 21 -2.942 -13.260 6.335 1.00 0.00 O ATOM 283 CB PRO A 21 -4.809 -11.823 4.154 1.00 0.00 C ATOM 284 CG PRO A 21 -4.315 -12.876 3.224 1.00 0.00 C ATOM 285 CD PRO A 21 -2.900 -12.498 2.884 1.00 0.00 C ATOM 0 HA PRO A 21 -3.575 -10.348 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.592 -12.208 4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.234 -10.981 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.354 -13.860 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.932 -12.925 2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.276 -13.378 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.851 -11.903 1.972 1.00 0.00 H new ATOM 293 N LEU A 22 -4.082 -11.588 7.319 1.00 0.00 N ATOM 294 CA LEU A 22 -4.086 -12.218 8.635 1.00 0.00 C ATOM 295 C LEU A 22 -5.512 -12.474 9.112 1.00 0.00 C ATOM 296 O LEU A 22 -6.248 -11.540 9.430 1.00 0.00 O ATOM 297 CB LEU A 22 -3.348 -11.338 9.645 1.00 0.00 C ATOM 298 CG LEU A 22 -2.678 -12.070 10.809 1.00 0.00 C ATOM 299 CD1 LEU A 22 -2.176 -11.076 11.845 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.644 -13.061 11.442 1.00 0.00 C ATOM 0 H LEU A 22 -4.553 -10.684 7.283 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.573 -13.176 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.586 -10.769 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.056 -10.617 10.054 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.823 -12.624 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.702 -11.614 12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.451 -10.405 11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.015 -10.495 12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.151 -13.573 12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.519 -12.529 11.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.955 -13.792 10.696 1.00 0.00 H new ATOM 312 N VAL A 23 -5.894 -13.746 9.161 1.00 0.00 N ATOM 313 CA VAL A 23 -7.231 -14.126 9.603 1.00 0.00 C ATOM 314 C VAL A 23 -7.171 -15.242 10.639 1.00 0.00 C ATOM 315 O VAL A 23 -7.962 -15.271 11.581 1.00 0.00 O ATOM 316 CB VAL A 23 -8.104 -14.585 8.419 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.417 -13.415 7.500 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.416 -15.705 7.654 1.00 0.00 C ATOM 0 H VAL A 23 -5.297 -14.531 8.900 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.679 -13.240 10.054 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.046 -14.968 8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.034 -13.759 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.954 -12.648 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.488 -12.998 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.046 -16.017 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.459 -15.350 7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.249 -16.552 8.320 1.00 0.00 H new ATOM 328 N ASN A 24 -6.226 -16.159 10.459 1.00 0.00 N ATOM 329 CA ASN A 24 -6.062 -17.279 11.380 1.00 0.00 C ATOM 330 C ASN A 24 -5.182 -16.886 12.563 1.00 0.00 C ATOM 331 O ASN A 24 -4.604 -17.742 13.231 1.00 0.00 O ATOM 332 CB ASN A 24 -5.453 -18.479 10.652 1.00 0.00 C ATOM 333 CG ASN A 24 -6.505 -19.359 10.007 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.140 -20.177 10.673 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.694 -19.196 8.703 1.00 0.00 N ATOM 0 H ASN A 24 -5.562 -16.149 9.685 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.046 -17.554 11.759 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.762 -18.124 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.871 -19.071 11.358 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.388 -19.761 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.145 -18.506 8.190 1.00 0.00 H new ATOM 342 N GLY A 25 -5.086 -15.584 12.815 1.00 0.00 N ATOM 343 CA GLY A 25 -4.276 -15.100 13.918 1.00 0.00 C ATOM 344 C GLY A 25 -2.799 -15.375 13.716 1.00 0.00 C ATOM 345 O GLY A 25 -1.995 -15.191 14.630 1.00 0.00 O ATOM 0 H GLY A 25 -5.554 -14.856 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.430 -14.027 14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.607 -15.572 14.843 1.00 0.00 H new ATOM 349 N VAL A 26 -2.440 -15.818 12.515 1.00 0.00 N ATOM 350 CA VAL A 26 -1.050 -16.119 12.196 1.00 0.00 C ATOM 351 C VAL A 26 -0.787 -15.981 10.700 1.00 0.00 C ATOM 352 O VAL A 26 -1.435 -16.635 9.883 1.00 0.00 O ATOM 353 CB VAL A 26 -0.666 -17.542 12.644 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.594 -18.569 12.013 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.785 -17.837 12.295 1.00 0.00 C ATOM 0 H VAL A 26 -3.093 -15.976 11.747 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.438 -15.398 12.738 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.775 -17.605 13.727 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.308 -19.568 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.621 -18.367 12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.519 -18.508 10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.039 -18.846 12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.924 -17.756 11.217 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.433 -17.120 12.799 1.00 0.00 H new ATOM 365 N ARG A 27 0.169 -15.127 10.349 1.00 0.00 N ATOM 366 CA ARG A 27 0.517 -14.902 8.952 1.00 0.00 C ATOM 367 C ARG A 27 1.471 -15.982 8.449 1.00 0.00 C ATOM 368 O ARG A 27 2.322 -16.467 9.193 1.00 0.00 O ATOM 369 CB ARG A 27 1.155 -13.523 8.778 1.00 0.00 C ATOM 370 CG ARG A 27 0.299 -12.385 9.309 1.00 0.00 C ATOM 371 CD ARG A 27 0.942 -11.033 9.043 1.00 0.00 C ATOM 372 NE ARG A 27 0.156 -9.934 9.598 1.00 0.00 N ATOM 373 CZ ARG A 27 0.635 -8.709 9.785 1.00 0.00 C ATOM 374 NH1 ARG A 27 1.890 -8.428 9.464 1.00 0.00 N ATOM 375 NH2 ARG A 27 -0.142 -7.762 10.295 1.00 0.00 N ATOM 0 H ARG A 27 0.716 -14.580 11.013 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.400 -14.947 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.118 -13.511 9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.353 -13.354 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.685 -12.419 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.147 -12.512 10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.943 -11.017 9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.056 -10.891 7.968 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.814 -10.117 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.491 -9.153 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.255 -7.487 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.108 -7.974 10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.227 -6.822 10.438 1.00 0.00 H new ATOM 389 N GLU A 28 1.320 -16.354 7.181 1.00 0.00 N ATOM 390 CA GLU A 28 2.168 -17.377 6.580 1.00 0.00 C ATOM 391 C GLU A 28 2.174 -17.254 5.059 1.00 0.00 C ATOM 392 O GLU A 28 1.138 -17.011 4.441 1.00 0.00 O ATOM 393 CB GLU A 28 1.688 -18.772 6.988 1.00 0.00 C ATOM 394 CG GLU A 28 0.283 -19.096 6.509 1.00 0.00 C ATOM 395 CD GLU A 28 -0.155 -20.497 6.891 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.178 -21.445 6.149 1.00 0.00 O ATOM 397 OE2 GLU A 28 -0.831 -20.645 7.930 1.00 0.00 O ATOM 0 H GLU A 28 0.619 -15.963 6.551 1.00 0.00 H new ATOM 0 HA GLU A 28 3.185 -17.229 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.379 -19.515 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.721 -18.855 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.416 -18.373 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.239 -18.988 5.425 1.00 0.00 H new ATOM 404 N PHE A 29 3.349 -17.423 4.463 1.00 0.00 N ATOM 405 CA PHE A 29 3.492 -17.329 3.015 1.00 0.00 C ATOM 406 C PHE A 29 2.870 -18.541 2.327 1.00 0.00 C ATOM 407 O PHE A 29 2.614 -19.565 2.961 1.00 0.00 O ATOM 408 CB PHE A 29 4.970 -17.216 2.633 1.00 0.00 C ATOM 409 CG PHE A 29 5.566 -15.872 2.938 1.00 0.00 C ATOM 410 CD1 PHE A 29 5.079 -14.728 2.327 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.615 -15.752 3.837 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.626 -13.489 2.607 1.00 0.00 C ATOM 413 CE2 PHE A 29 7.165 -14.517 4.120 1.00 0.00 C ATOM 414 CZ PHE A 29 6.670 -13.384 3.503 1.00 0.00 C ATOM 0 H PHE A 29 4.216 -17.626 4.960 1.00 0.00 H new ATOM 0 HA PHE A 29 2.967 -16.434 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.534 -17.984 3.163 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.078 -17.420 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.263 -14.805 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.006 -16.634 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.236 -12.605 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.981 -14.437 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.100 -12.418 3.722 1.00 0.00 H new ATOM 424 N SER A 30 2.628 -18.416 1.026 1.00 0.00 N ATOM 425 CA SER A 30 2.031 -19.498 0.252 1.00 0.00 C ATOM 426 C SER A 30 2.967 -19.948 -0.865 1.00 0.00 C ATOM 427 O SER A 30 3.922 -19.251 -1.207 1.00 0.00 O ATOM 428 CB SER A 30 0.691 -19.053 -0.338 1.00 0.00 C ATOM 429 OG SER A 30 0.063 -20.115 -1.036 1.00 0.00 O ATOM 0 H SER A 30 2.836 -17.576 0.486 1.00 0.00 H new ATOM 0 HA SER A 30 1.863 -20.341 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.037 -18.702 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.849 -18.213 -1.014 1.00 0.00 H new ATOM 0 HG SER A 30 -0.792 -19.806 -1.402 1.00 0.00 H new ATOM 435 N GLU A 31 2.686 -21.119 -1.429 1.00 0.00 N ATOM 436 CA GLU A 31 3.504 -21.663 -2.506 1.00 0.00 C ATOM 437 C GLU A 31 3.729 -20.620 -3.598 1.00 0.00 C ATOM 438 O GLU A 31 4.784 -20.589 -4.233 1.00 0.00 O ATOM 439 CB GLU A 31 2.840 -22.906 -3.103 1.00 0.00 C ATOM 440 CG GLU A 31 1.479 -22.632 -3.720 1.00 0.00 C ATOM 441 CD GLU A 31 0.671 -23.897 -3.933 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.128 -24.770 -4.700 1.00 0.00 O ATOM 443 OE2 GLU A 31 -0.419 -24.014 -3.334 1.00 0.00 O ATOM 0 H GLU A 31 1.899 -21.708 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 31 4.471 -21.942 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.496 -23.328 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.731 -23.659 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.921 -21.953 -3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.613 -22.125 -4.676 1.00 0.00 H new ATOM 450 N ILE A 32 2.731 -19.769 -3.810 1.00 0.00 N ATOM 451 CA ILE A 32 2.821 -18.725 -4.823 1.00 0.00 C ATOM 452 C ILE A 32 3.807 -17.639 -4.408 1.00 0.00 C ATOM 453 O ILE A 32 4.737 -17.317 -5.147 1.00 0.00 O ATOM 454 CB ILE A 32 1.447 -18.081 -5.090 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.447 -19.138 -5.561 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.575 -16.968 -6.120 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.988 -18.658 -5.554 1.00 0.00 C ATOM 0 H ILE A 32 1.851 -19.782 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 32 3.174 -19.202 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 32 1.078 -17.648 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.712 -19.452 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.531 -20.017 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.596 -16.523 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.259 -16.205 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.962 -17.378 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.641 -19.459 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.271 -18.371 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.087 -17.798 -6.216 1.00 0.00 H new ATOM 469 N GLN A 33 3.598 -17.079 -3.221 1.00 0.00 N ATOM 470 CA GLN A 33 4.470 -16.030 -2.707 1.00 0.00 C ATOM 471 C GLN A 33 5.913 -16.516 -2.618 1.00 0.00 C ATOM 472 O GLN A 33 6.830 -15.865 -3.120 1.00 0.00 O ATOM 473 CB GLN A 33 3.990 -15.567 -1.330 1.00 0.00 C ATOM 474 CG GLN A 33 2.822 -14.595 -1.389 1.00 0.00 C ATOM 475 CD GLN A 33 1.921 -14.692 -0.173 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.274 -15.319 0.827 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.751 -14.070 -0.252 1.00 0.00 N ATOM 0 H GLN A 33 2.832 -17.334 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 33 4.431 -15.189 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.698 -16.438 -0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.820 -15.094 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.204 -13.578 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.236 -14.791 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.500 -13.562 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.103 -14.100 0.535 1.00 0.00 H new ATOM 486 N LEU A 34 6.107 -17.663 -1.977 1.00 0.00 N ATOM 487 CA LEU A 34 7.439 -18.237 -1.822 1.00 0.00 C ATOM 488 C LEU A 34 8.150 -18.335 -3.168 1.00 0.00 C ATOM 489 O LEU A 34 9.145 -17.650 -3.407 1.00 0.00 O ATOM 490 CB LEU A 34 7.347 -19.622 -1.180 1.00 0.00 C ATOM 491 CG LEU A 34 6.516 -19.715 0.100 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.890 -21.094 0.232 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.373 -19.397 1.317 1.00 0.00 C ATOM 0 H LEU A 34 5.359 -18.214 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 34 8.018 -17.580 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.928 -20.313 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.357 -19.966 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 34 5.714 -18.979 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.303 -21.141 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.242 -21.283 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.676 -21.849 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.765 -19.468 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.197 -20.108 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.772 -18.387 1.227 1.00 0.00 H new ATOM 505 N SER A 35 7.631 -19.188 -4.046 1.00 0.00 N ATOM 506 CA SER A 35 8.217 -19.376 -5.367 1.00 0.00 C ATOM 507 C SER A 35 8.706 -18.049 -5.939 1.00 0.00 C ATOM 508 O SER A 35 9.728 -17.994 -6.623 1.00 0.00 O ATOM 509 CB SER A 35 7.196 -20.008 -6.316 1.00 0.00 C ATOM 510 OG SER A 35 7.840 -20.668 -7.392 1.00 0.00 O ATOM 0 H SER A 35 6.806 -19.760 -3.866 1.00 0.00 H new ATOM 0 HA SER A 35 9.072 -20.045 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.577 -20.718 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.530 -19.237 -6.704 1.00 0.00 H new ATOM 0 HG SER A 35 7.166 -21.065 -7.983 1.00 0.00 H new ATOM 516 N ARG A 36 7.968 -16.981 -5.653 1.00 0.00 N ATOM 517 CA ARG A 36 8.325 -15.654 -6.139 1.00 0.00 C ATOM 518 C ARG A 36 9.464 -15.061 -5.315 1.00 0.00 C ATOM 519 O ARG A 36 10.366 -14.418 -5.855 1.00 0.00 O ATOM 520 CB ARG A 36 7.109 -14.726 -6.089 1.00 0.00 C ATOM 521 CG ARG A 36 5.982 -15.149 -7.017 1.00 0.00 C ATOM 522 CD ARG A 36 4.784 -14.219 -6.898 1.00 0.00 C ATOM 523 NE ARG A 36 4.958 -13.000 -7.683 1.00 0.00 N ATOM 524 CZ ARG A 36 4.212 -11.912 -7.526 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.246 -11.892 -6.618 1.00 0.00 N ATOM 526 NH2 ARG A 36 4.431 -10.842 -8.279 1.00 0.00 N ATOM 0 H ARG A 36 7.120 -17.009 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 36 8.659 -15.750 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.732 -14.689 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.423 -13.715 -6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.339 -15.154 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.678 -16.169 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.886 -14.740 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.631 -13.957 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 36 5.692 -12.983 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.074 -12.713 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.675 -11.055 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.173 -10.854 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.858 -10.007 -8.158 1.00 0.00 H new ATOM 540 N LEU A 37 9.417 -15.281 -4.006 1.00 0.00 N ATOM 541 CA LEU A 37 10.445 -14.768 -3.106 1.00 0.00 C ATOM 542 C LEU A 37 11.796 -15.412 -3.401 1.00 0.00 C ATOM 543 O LEU A 37 12.841 -14.774 -3.276 1.00 0.00 O ATOM 544 CB LEU A 37 10.051 -15.025 -1.651 1.00 0.00 C ATOM 545 CG LEU A 37 9.028 -14.059 -1.052 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.410 -14.649 0.206 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.675 -12.715 -0.751 1.00 0.00 C ATOM 0 H LEU A 37 8.678 -15.811 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 37 10.532 -13.694 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.652 -16.037 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.953 -14.992 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 37 8.235 -13.902 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.685 -13.948 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.910 -15.586 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.192 -14.837 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.932 -12.041 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.489 -12.854 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.069 -12.286 -1.673 1.00 0.00 H new ATOM 559 N LYS A 38 11.768 -16.681 -3.794 1.00 0.00 N ATOM 560 CA LYS A 38 12.989 -17.412 -4.110 1.00 0.00 C ATOM 561 C LYS A 38 13.825 -16.657 -5.138 1.00 0.00 C ATOM 562 O LYS A 38 15.023 -16.448 -4.947 1.00 0.00 O ATOM 563 CB LYS A 38 12.650 -18.808 -4.639 1.00 0.00 C ATOM 564 CG LYS A 38 12.475 -19.847 -3.545 1.00 0.00 C ATOM 565 CD LYS A 38 12.724 -21.253 -4.066 1.00 0.00 C ATOM 566 CE LYS A 38 14.207 -21.514 -4.279 1.00 0.00 C ATOM 567 NZ LYS A 38 14.489 -22.958 -4.507 1.00 0.00 N ATOM 0 H LYS A 38 10.912 -17.225 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 38 13.572 -17.509 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.733 -18.752 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.441 -19.133 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.163 -19.634 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.466 -19.782 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.323 -21.980 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.190 -21.394 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.558 -20.936 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.765 -21.168 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.510 -23.094 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.177 -23.507 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.977 -23.283 -5.352 1.00 0.00 H new ATOM 581 N LYS A 39 13.185 -16.247 -6.228 1.00 0.00 N ATOM 582 CA LYS A 39 13.868 -15.512 -7.286 1.00 0.00 C ATOM 583 C LYS A 39 14.710 -14.380 -6.705 1.00 0.00 C ATOM 584 O LYS A 39 15.868 -14.197 -7.083 1.00 0.00 O ATOM 585 CB LYS A 39 12.852 -14.947 -8.281 1.00 0.00 C ATOM 586 CG LYS A 39 12.506 -15.906 -9.407 1.00 0.00 C ATOM 587 CD LYS A 39 11.737 -17.113 -8.895 1.00 0.00 C ATOM 588 CE LYS A 39 11.100 -17.892 -10.036 1.00 0.00 C ATOM 589 NZ LYS A 39 10.971 -19.340 -9.713 1.00 0.00 N ATOM 0 H LYS A 39 12.193 -16.411 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 39 14.530 -16.204 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.940 -14.684 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.248 -14.026 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.911 -15.387 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.421 -16.238 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.410 -17.765 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.964 -16.785 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.115 -17.479 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.701 -17.773 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.533 -19.837 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.913 -19.740 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.377 -19.455 -8.867 1.00 0.00 H new ATOM 603 N LEU A 40 14.122 -13.624 -5.785 1.00 0.00 N ATOM 604 CA LEU A 40 14.819 -12.510 -5.151 1.00 0.00 C ATOM 605 C LEU A 40 16.013 -13.005 -4.341 1.00 0.00 C ATOM 606 O LEU A 40 16.976 -12.271 -4.124 1.00 0.00 O ATOM 607 CB LEU A 40 13.862 -11.733 -4.246 1.00 0.00 C ATOM 608 CG LEU A 40 12.593 -11.199 -4.912 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.531 -10.892 -3.867 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.905 -9.959 -5.737 1.00 0.00 C ATOM 0 H LEU A 40 13.165 -13.762 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 40 15.185 -11.848 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.570 -12.380 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.404 -10.891 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 40 12.205 -11.968 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.635 -10.513 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.287 -11.802 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.909 -10.141 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.990 -9.593 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.317 -9.185 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.631 -10.210 -6.510 1.00 0.00 H new ATOM 622 N GLY A 41 15.944 -14.257 -3.899 1.00 0.00 N ATOM 623 CA GLY A 41 17.027 -14.830 -3.121 1.00 0.00 C ATOM 624 C GLY A 41 16.786 -14.726 -1.628 1.00 0.00 C ATOM 625 O GLY A 41 17.726 -14.786 -0.835 1.00 0.00 O ATOM 0 H GLY A 41 15.157 -14.885 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.151 -15.878 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.959 -14.323 -3.372 1.00 0.00 H new ATOM 629 N ILE A 42 15.524 -14.567 -1.244 1.00 0.00 N ATOM 630 CA ILE A 42 15.163 -14.453 0.164 1.00 0.00 C ATOM 631 C ILE A 42 14.697 -15.794 0.722 1.00 0.00 C ATOM 632 O ILE A 42 13.540 -16.180 0.556 1.00 0.00 O ATOM 633 CB ILE A 42 14.052 -13.408 0.378 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.557 -12.012 0.007 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.568 -13.437 1.820 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.449 -11.034 -0.316 1.00 0.00 C ATOM 0 H ILE A 42 14.735 -14.514 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 42 16.060 -14.132 0.694 1.00 0.00 H new ATOM 0 HB ILE A 42 13.212 -13.654 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.149 -11.618 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.222 -12.092 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.783 -12.693 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.174 -14.427 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.400 -13.212 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.881 -10.066 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.870 -11.406 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.796 -10.924 0.550 1.00 0.00 H new ATOM 648 N HIS A 43 15.607 -16.500 1.385 1.00 0.00 N ATOM 649 CA HIS A 43 15.290 -17.798 1.971 1.00 0.00 C ATOM 650 C HIS A 43 14.615 -17.631 3.329 1.00 0.00 C ATOM 651 O HIS A 43 15.040 -18.220 4.323 1.00 0.00 O ATOM 652 CB HIS A 43 16.558 -18.638 2.119 1.00 0.00 C ATOM 653 CG HIS A 43 16.981 -19.314 0.851 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.210 -20.261 0.210 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.101 -19.174 0.104 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.839 -20.675 -0.876 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.988 -20.031 -0.964 1.00 0.00 N ATOM 0 H HIS A 43 16.570 -16.196 1.530 1.00 0.00 H new ATOM 0 HA HIS A 43 14.599 -18.312 1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.369 -17.998 2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.395 -19.394 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.929 -18.512 0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.475 -21.415 -1.573 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.679 -20.150 -1.704 1.00 0.00 H new ATOM 666 N LYS A 44 13.561 -16.822 3.365 1.00 0.00 N ATOM 667 CA LYS A 44 12.826 -16.577 4.600 1.00 0.00 C ATOM 668 C LYS A 44 11.376 -17.033 4.470 1.00 0.00 C ATOM 669 O LYS A 44 10.591 -16.440 3.729 1.00 0.00 O ATOM 670 CB LYS A 44 12.874 -15.090 4.959 1.00 0.00 C ATOM 671 CG LYS A 44 14.245 -14.618 5.411 1.00 0.00 C ATOM 672 CD LYS A 44 14.416 -13.122 5.202 1.00 0.00 C ATOM 673 CE LYS A 44 15.878 -12.751 5.006 1.00 0.00 C ATOM 674 NZ LYS A 44 16.415 -13.273 3.719 1.00 0.00 N ATOM 0 H LYS A 44 13.197 -16.325 2.552 1.00 0.00 H new ATOM 0 HA LYS A 44 13.299 -17.152 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.565 -14.505 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.152 -14.892 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.384 -14.857 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.016 -15.154 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.840 -12.807 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.015 -12.585 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.984 -11.666 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.467 -13.147 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.428 -13.482 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.907 -14.142 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.285 -12.559 2.974 1.00 0.00 H new ATOM 688 N THR A 45 11.025 -18.090 5.196 1.00 0.00 N ATOM 689 CA THR A 45 9.670 -18.625 5.162 1.00 0.00 C ATOM 690 C THR A 45 8.814 -18.024 6.271 1.00 0.00 C ATOM 691 O THR A 45 8.056 -18.731 6.936 1.00 0.00 O ATOM 692 CB THR A 45 9.668 -20.159 5.301 1.00 0.00 C ATOM 693 OG1 THR A 45 10.829 -20.709 4.671 1.00 0.00 O ATOM 694 CG2 THR A 45 8.415 -20.757 4.679 1.00 0.00 C ATOM 0 H THR A 45 11.661 -18.593 5.815 1.00 0.00 H new ATOM 0 HA THR A 45 9.248 -18.355 4.194 1.00 0.00 H new ATOM 0 HB THR A 45 9.680 -20.406 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.821 -21.684 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.436 -21.841 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.534 -20.358 5.181 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.376 -20.501 3.620 1.00 0.00 H new ATOM 702 N ASP A 46 8.939 -16.716 6.466 1.00 0.00 N ATOM 703 CA ASP A 46 8.174 -16.020 7.494 1.00 0.00 C ATOM 704 C ASP A 46 8.063 -14.532 7.174 1.00 0.00 C ATOM 705 O ASP A 46 9.006 -13.903 6.695 1.00 0.00 O ATOM 706 CB ASP A 46 8.828 -16.212 8.864 1.00 0.00 C ATOM 707 CG ASP A 46 7.821 -16.172 9.996 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.880 -16.992 9.983 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.975 -15.320 10.897 1.00 0.00 O ATOM 0 H ASP A 46 9.563 -16.116 5.926 1.00 0.00 H new ATOM 0 HA ASP A 46 7.170 -16.445 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.353 -17.167 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.576 -15.434 9.019 1.00 0.00 H new ATOM 714 N PRO A 47 6.882 -13.956 7.444 1.00 0.00 N ATOM 715 CA PRO A 47 6.618 -12.536 7.192 1.00 0.00 C ATOM 716 C PRO A 47 7.390 -11.626 8.141 1.00 0.00 C ATOM 717 O PRO A 47 7.591 -10.445 7.858 1.00 0.00 O ATOM 718 CB PRO A 47 5.112 -12.407 7.433 1.00 0.00 C ATOM 719 CG PRO A 47 4.781 -13.519 8.367 1.00 0.00 C ATOM 720 CD PRO A 47 5.713 -14.646 8.015 1.00 0.00 C ATOM 0 HA PRO A 47 6.931 -12.234 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.862 -11.439 7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.553 -12.493 6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.915 -13.211 9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.740 -13.824 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.982 -15.234 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.261 -15.332 7.298 1.00 0.00 H new ATOM 728 N SER A 48 7.820 -12.183 9.269 1.00 0.00 N ATOM 729 CA SER A 48 8.567 -11.420 10.262 1.00 0.00 C ATOM 730 C SER A 48 10.062 -11.452 9.959 1.00 0.00 C ATOM 731 O SER A 48 10.754 -10.439 10.075 1.00 0.00 O ATOM 732 CB SER A 48 8.307 -11.975 11.664 1.00 0.00 C ATOM 733 OG SER A 48 6.920 -11.998 11.954 1.00 0.00 O ATOM 0 H SER A 48 7.664 -13.160 9.518 1.00 0.00 H new ATOM 0 HA SER A 48 8.227 -10.385 10.220 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.715 -12.983 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.826 -11.364 12.402 1.00 0.00 H new ATOM 0 HG SER A 48 6.780 -12.358 12.855 1.00 0.00 H new ATOM 739 N THR A 49 10.556 -12.623 9.570 1.00 0.00 N ATOM 740 CA THR A 49 11.969 -12.789 9.251 1.00 0.00 C ATOM 741 C THR A 49 12.401 -11.827 8.150 1.00 0.00 C ATOM 742 O THR A 49 13.592 -11.575 7.965 1.00 0.00 O ATOM 743 CB THR A 49 12.279 -14.231 8.808 1.00 0.00 C ATOM 744 OG1 THR A 49 11.326 -14.659 7.829 1.00 0.00 O ATOM 745 CG2 THR A 49 12.252 -15.180 9.997 1.00 0.00 C ATOM 0 H THR A 49 9.998 -13.471 9.468 1.00 0.00 H new ATOM 0 HA THR A 49 12.527 -12.569 10.161 1.00 0.00 H new ATOM 0 HB THR A 49 13.278 -14.246 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.729 -13.914 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.474 -16.192 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.999 -14.869 10.728 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.264 -15.159 10.457 1.00 0.00 H new ATOM 753 N LEU A 50 11.427 -11.293 7.422 1.00 0.00 N ATOM 754 CA LEU A 50 11.706 -10.357 6.339 1.00 0.00 C ATOM 755 C LEU A 50 11.820 -8.931 6.867 1.00 0.00 C ATOM 756 O LEU A 50 11.151 -8.559 7.832 1.00 0.00 O ATOM 757 CB LEU A 50 10.609 -10.434 5.276 1.00 0.00 C ATOM 758 CG LEU A 50 10.830 -11.451 4.156 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.296 -12.816 4.562 1.00 0.00 C ATOM 760 CD2 LEU A 50 10.169 -10.979 2.869 1.00 0.00 C ATOM 0 H LEU A 50 10.437 -11.492 7.562 1.00 0.00 H new ATOM 0 HA LEU A 50 12.659 -10.635 5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.667 -10.668 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.496 -9.447 4.827 1.00 0.00 H new ATOM 0 HG LEU A 50 11.902 -11.541 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.462 -13.527 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.815 -13.158 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.228 -12.743 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.337 -11.715 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.098 -10.860 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.598 -10.023 2.569 1.00 0.00 H new ATOM 772 N THR A 51 12.670 -8.134 6.227 1.00 0.00 N ATOM 773 CA THR A 51 12.870 -6.748 6.631 1.00 0.00 C ATOM 774 C THR A 51 12.235 -5.787 5.633 1.00 0.00 C ATOM 775 O THR A 51 11.971 -6.152 4.488 1.00 0.00 O ATOM 776 CB THR A 51 14.368 -6.413 6.767 1.00 0.00 C ATOM 777 OG1 THR A 51 15.042 -6.675 5.531 1.00 0.00 O ATOM 778 CG2 THR A 51 15.006 -7.229 7.881 1.00 0.00 C ATOM 0 H THR A 51 13.231 -8.425 5.426 1.00 0.00 H new ATOM 0 HA THR A 51 12.389 -6.629 7.602 1.00 0.00 H new ATOM 0 HB THR A 51 14.461 -5.355 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.993 -6.458 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.063 -6.975 7.958 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.510 -7.006 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.903 -8.291 7.659 1.00 0.00 H new ATOM 786 N GLU A 52 11.993 -4.556 6.075 1.00 0.00 N ATOM 787 CA GLU A 52 11.388 -3.543 5.218 1.00 0.00 C ATOM 788 C GLU A 52 11.925 -3.644 3.793 1.00 0.00 C ATOM 789 O GLU A 52 11.157 -3.707 2.834 1.00 0.00 O ATOM 790 CB GLU A 52 11.656 -2.144 5.778 1.00 0.00 C ATOM 791 CG GLU A 52 10.698 -1.738 6.885 1.00 0.00 C ATOM 792 CD GLU A 52 10.572 -0.234 7.025 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.458 0.450 5.986 1.00 0.00 O ATOM 794 OE2 GLU A 52 10.588 0.260 8.171 1.00 0.00 O ATOM 0 H GLU A 52 12.206 -4.237 7.020 1.00 0.00 H new ATOM 0 HA GLU A 52 10.312 -3.718 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.676 -2.104 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.590 -1.418 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.715 -2.164 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.041 -2.160 7.830 1.00 0.00 H new ATOM 801 N GLU A 53 13.248 -3.659 3.665 1.00 0.00 N ATOM 802 CA GLU A 53 13.887 -3.751 2.358 1.00 0.00 C ATOM 803 C GLU A 53 13.383 -4.970 1.591 1.00 0.00 C ATOM 804 O GLU A 53 13.123 -4.896 0.390 1.00 0.00 O ATOM 805 CB GLU A 53 15.407 -3.824 2.513 1.00 0.00 C ATOM 806 CG GLU A 53 16.151 -3.903 1.190 1.00 0.00 C ATOM 807 CD GLU A 53 16.488 -2.536 0.628 1.00 0.00 C ATOM 808 OE1 GLU A 53 15.563 -1.710 0.482 1.00 0.00 O ATOM 809 OE2 GLU A 53 17.677 -2.292 0.333 1.00 0.00 O ATOM 0 H GLU A 53 13.897 -3.609 4.450 1.00 0.00 H new ATOM 0 HA GLU A 53 13.630 -2.856 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.750 -2.947 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.661 -4.696 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.071 -4.472 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.544 -4.449 0.468 1.00 0.00 H new ATOM 816 N GLU A 54 13.251 -6.090 2.293 1.00 0.00 N ATOM 817 CA GLU A 54 12.780 -7.326 1.678 1.00 0.00 C ATOM 818 C GLU A 54 11.280 -7.260 1.404 1.00 0.00 C ATOM 819 O GLU A 54 10.782 -7.879 0.464 1.00 0.00 O ATOM 820 CB GLU A 54 13.094 -8.522 2.579 1.00 0.00 C ATOM 821 CG GLU A 54 14.547 -8.960 2.525 1.00 0.00 C ATOM 822 CD GLU A 54 14.788 -10.273 3.245 1.00 0.00 C ATOM 823 OE1 GLU A 54 13.961 -10.636 4.108 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.803 -10.936 2.947 1.00 0.00 O ATOM 0 H GLU A 54 13.463 -6.168 3.288 1.00 0.00 H new ATOM 0 HA GLU A 54 13.300 -7.450 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.838 -8.268 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.460 -9.360 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.854 -9.059 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.173 -8.186 2.970 1.00 0.00 H new ATOM 831 N VAL A 55 10.566 -6.506 2.233 1.00 0.00 N ATOM 832 CA VAL A 55 9.123 -6.359 2.082 1.00 0.00 C ATOM 833 C VAL A 55 8.782 -5.542 0.841 1.00 0.00 C ATOM 834 O VAL A 55 7.985 -5.968 0.005 1.00 0.00 O ATOM 835 CB VAL A 55 8.495 -5.684 3.316 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.012 -5.434 3.091 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.719 -6.533 4.558 1.00 0.00 C ATOM 0 H VAL A 55 10.963 -5.987 3.016 1.00 0.00 H new ATOM 0 HA VAL A 55 8.711 -7.363 1.978 1.00 0.00 H new ATOM 0 HB VAL A 55 8.982 -4.721 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.586 -4.957 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.880 -4.783 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.506 -6.383 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.269 -6.042 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.260 -7.512 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.789 -6.655 4.727 1.00 0.00 H new ATOM 847 N ARG A 56 9.391 -4.366 0.727 1.00 0.00 N ATOM 848 CA ARG A 56 9.151 -3.488 -0.412 1.00 0.00 C ATOM 849 C ARG A 56 9.547 -4.172 -1.718 1.00 0.00 C ATOM 850 O ARG A 56 8.885 -4.007 -2.743 1.00 0.00 O ATOM 851 CB ARG A 56 9.932 -2.183 -0.251 1.00 0.00 C ATOM 852 CG ARG A 56 11.431 -2.385 -0.099 1.00 0.00 C ATOM 853 CD ARG A 56 12.146 -1.069 0.164 1.00 0.00 C ATOM 854 NE ARG A 56 12.548 -0.407 -1.074 1.00 0.00 N ATOM 855 CZ ARG A 56 13.489 0.529 -1.135 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.121 0.911 -0.034 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.799 1.085 -2.300 1.00 0.00 N ATOM 0 H ARG A 56 10.054 -3.999 1.410 1.00 0.00 H new ATOM 0 HA ARG A 56 8.085 -3.263 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.745 -1.549 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.555 -1.649 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.625 -3.076 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.831 -2.843 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.491 -0.408 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.027 -1.252 0.780 1.00 0.00 H new ATOM 0 HE ARG A 56 12.081 -0.678 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.885 0.486 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.843 1.630 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.315 0.794 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.522 1.804 -2.346 1.00 0.00 H new ATOM 871 N LYS A 57 10.630 -4.940 -1.673 1.00 0.00 N ATOM 872 CA LYS A 57 11.114 -5.650 -2.851 1.00 0.00 C ATOM 873 C LYS A 57 10.064 -6.628 -3.367 1.00 0.00 C ATOM 874 O LYS A 57 9.761 -6.656 -4.560 1.00 0.00 O ATOM 875 CB LYS A 57 12.408 -6.400 -2.524 1.00 0.00 C ATOM 876 CG LYS A 57 13.663 -5.574 -2.747 1.00 0.00 C ATOM 877 CD LYS A 57 14.845 -6.448 -3.131 1.00 0.00 C ATOM 878 CE LYS A 57 15.494 -7.077 -1.908 1.00 0.00 C ATOM 879 NZ LYS A 57 16.443 -6.143 -1.241 1.00 0.00 N ATOM 0 H LYS A 57 11.190 -5.087 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 57 11.314 -4.915 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.377 -6.725 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.462 -7.300 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.482 -4.840 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.900 -5.018 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.513 -7.232 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.581 -5.850 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.721 -7.376 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.023 -7.983 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.423 -6.302 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.405 -6.312 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.165 -5.162 -1.445 1.00 0.00 H new ATOM 893 N PHE A 58 9.510 -7.427 -2.462 1.00 0.00 N ATOM 894 CA PHE A 58 8.493 -8.406 -2.826 1.00 0.00 C ATOM 895 C PHE A 58 7.281 -7.724 -3.454 1.00 0.00 C ATOM 896 O PHE A 58 6.742 -8.192 -4.456 1.00 0.00 O ATOM 897 CB PHE A 58 8.061 -9.207 -1.595 1.00 0.00 C ATOM 898 CG PHE A 58 7.151 -10.357 -1.917 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.517 -11.304 -2.860 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.929 -10.491 -1.278 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.681 -12.364 -3.159 1.00 0.00 C ATOM 902 CE2 PHE A 58 5.090 -11.549 -1.572 1.00 0.00 C ATOM 903 CZ PHE A 58 5.466 -12.486 -2.514 1.00 0.00 C ATOM 0 H PHE A 58 9.748 -7.416 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 58 8.926 -9.086 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.948 -9.587 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.557 -8.540 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.466 -11.213 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.629 -9.760 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.978 -13.096 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.141 -11.643 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.811 -13.313 -2.746 1.00 0.00 H new ATOM 913 N ALA A 59 6.859 -6.614 -2.856 1.00 0.00 N ATOM 914 CA ALA A 59 5.713 -5.866 -3.357 1.00 0.00 C ATOM 915 C ALA A 59 5.977 -5.331 -4.761 1.00 0.00 C ATOM 916 O ALA A 59 5.122 -5.427 -5.642 1.00 0.00 O ATOM 917 CB ALA A 59 5.374 -4.724 -2.410 1.00 0.00 C ATOM 0 H ALA A 59 7.294 -6.214 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 59 4.862 -6.545 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.516 -4.173 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.134 -5.126 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.229 -4.053 -2.329 1.00 0.00 H new ATOM 923 N ARG A 60 7.164 -4.769 -4.961 1.00 0.00 N ATOM 924 CA ARG A 60 7.539 -4.218 -6.258 1.00 0.00 C ATOM 925 C ARG A 60 7.017 -5.094 -7.393 1.00 0.00 C ATOM 926 O ARG A 60 6.408 -4.601 -8.343 1.00 0.00 O ATOM 927 CB ARG A 60 9.059 -4.085 -6.359 1.00 0.00 C ATOM 928 CG ARG A 60 9.619 -2.896 -5.596 1.00 0.00 C ATOM 929 CD ARG A 60 9.636 -1.641 -6.455 1.00 0.00 C ATOM 930 NE ARG A 60 10.257 -1.876 -7.756 1.00 0.00 N ATOM 931 CZ ARG A 60 10.063 -1.098 -8.814 1.00 0.00 C ATOM 932 NH1 ARG A 60 9.270 -0.039 -8.726 1.00 0.00 N ATOM 933 NH2 ARG A 60 10.664 -1.377 -9.964 1.00 0.00 N ATOM 0 H ARG A 60 7.883 -4.683 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 60 7.088 -3.230 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.521 -4.998 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.338 -3.996 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.019 -2.719 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.631 -3.122 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.615 -1.287 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.177 -0.852 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 60 10.874 -2.682 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.807 0.180 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.123 0.557 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.276 -2.190 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.514 -0.778 -10.776 1.00 0.00 H new ATOM 947 N LEU A 61 7.259 -6.396 -7.287 1.00 0.00 N ATOM 948 CA LEU A 61 6.815 -7.342 -8.304 1.00 0.00 C ATOM 949 C LEU A 61 5.421 -6.983 -8.810 1.00 0.00 C ATOM 950 O LEU A 61 5.185 -6.921 -10.016 1.00 0.00 O ATOM 951 CB LEU A 61 6.815 -8.764 -7.741 1.00 0.00 C ATOM 952 CG LEU A 61 8.187 -9.414 -7.558 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.144 -10.445 -6.441 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.653 -10.051 -8.858 1.00 0.00 C ATOM 0 H LEU A 61 7.760 -6.820 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 61 7.510 -7.290 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.310 -8.751 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.222 -9.395 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 61 8.901 -8.639 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.129 -10.897 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.856 -9.960 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.416 -11.218 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.631 -10.509 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.938 -10.814 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.724 -9.287 -9.632 1.00 0.00 H new