USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 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 35:sc= 0.0756 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 151:sc= 1.21 USER MOD Single : A 17 ASN : amide:sc= -0.72 K(o=-0.72,f=-2) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.963 K(o=-0.96,f=-10!) 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= -0.0143 X(o=-0.014,f=-0.12) 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 -60:sc= 0.364 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.467 2.988 1.219 1.00 0.00 N ATOM 109 CA THR A 11 2.629 2.443 -0.122 1.00 0.00 C ATOM 110 C THR A 11 2.935 0.950 -0.076 1.00 0.00 C ATOM 111 O THR A 11 2.175 0.134 -0.598 1.00 0.00 O ATOM 112 CB THR A 11 3.756 3.162 -0.889 1.00 0.00 C ATOM 113 OG1 THR A 11 3.489 4.568 -0.945 1.00 0.00 O ATOM 114 CG2 THR A 11 3.890 2.609 -2.299 1.00 0.00 C ATOM 0 HA THR A 11 1.685 2.602 -0.643 1.00 0.00 H new ATOM 0 HB THR A 11 4.693 2.991 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.057 4.852 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.692 3.132 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.122 1.545 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.953 2.753 -2.837 1.00 0.00 H new ATOM 122 N ASP A 12 4.052 0.599 0.553 1.00 0.00 N ATOM 123 CA ASP A 12 4.457 -0.797 0.669 1.00 0.00 C ATOM 124 C ASP A 12 3.622 -1.520 1.721 1.00 0.00 C ATOM 125 O ASP A 12 3.020 -2.558 1.445 1.00 0.00 O ATOM 126 CB ASP A 12 5.942 -0.891 1.026 1.00 0.00 C ATOM 127 CG ASP A 12 6.302 -0.045 2.232 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.932 1.148 2.252 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.953 -0.576 3.155 1.00 0.00 O ATOM 0 H ASP A 12 4.692 1.262 0.990 1.00 0.00 H new ATOM 0 HA ASP A 12 4.291 -1.279 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.200 -1.931 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.539 -0.573 0.171 1.00 0.00 H new ATOM 134 N LYS A 13 3.590 -0.965 2.927 1.00 0.00 N ATOM 135 CA LYS A 13 2.828 -1.555 4.022 1.00 0.00 C ATOM 136 C LYS A 13 1.505 -2.124 3.519 1.00 0.00 C ATOM 137 O LYS A 13 1.218 -3.307 3.702 1.00 0.00 O ATOM 138 CB LYS A 13 2.566 -0.511 5.109 1.00 0.00 C ATOM 139 CG LYS A 13 3.648 -0.456 6.174 1.00 0.00 C ATOM 140 CD LYS A 13 4.920 0.184 5.643 1.00 0.00 C ATOM 141 CE LYS A 13 4.777 1.693 5.523 1.00 0.00 C ATOM 142 NZ LYS A 13 6.099 2.367 5.402 1.00 0.00 N ATOM 0 H LYS A 13 4.083 -0.106 3.172 1.00 0.00 H new ATOM 0 HA LYS A 13 3.417 -2.369 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.476 0.471 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.610 -0.727 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.286 0.109 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.866 -1.465 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.752 -0.052 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.161 -0.238 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.166 1.932 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.251 2.079 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.959 3.394 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.673 2.160 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.590 2.018 4.554 1.00 0.00 H new ATOM 156 N ALA A 14 0.704 -1.275 2.884 1.00 0.00 N ATOM 157 CA ALA A 14 -0.586 -1.695 2.352 1.00 0.00 C ATOM 158 C ALA A 14 -0.441 -2.933 1.474 1.00 0.00 C ATOM 159 O ALA A 14 -1.132 -3.933 1.673 1.00 0.00 O ATOM 160 CB ALA A 14 -1.228 -0.561 1.567 1.00 0.00 C ATOM 0 H ALA A 14 0.926 -0.292 2.726 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.231 -1.951 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.191 -0.889 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.376 0.297 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.578 -0.277 0.740 1.00 0.00 H new ATOM 166 N LEU A 15 0.460 -2.860 0.500 1.00 0.00 N ATOM 167 CA LEU A 15 0.695 -3.975 -0.410 1.00 0.00 C ATOM 168 C LEU A 15 1.019 -5.250 0.362 1.00 0.00 C ATOM 169 O LEU A 15 0.514 -6.326 0.044 1.00 0.00 O ATOM 170 CB LEU A 15 1.838 -3.642 -1.371 1.00 0.00 C ATOM 171 CG LEU A 15 1.649 -2.394 -2.233 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.978 -1.942 -2.818 1.00 0.00 C ATOM 173 CD2 LEU A 15 0.639 -2.658 -3.340 1.00 0.00 C ATOM 0 H LEU A 15 1.040 -2.040 0.321 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.217 -4.142 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.752 -3.522 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.991 -4.495 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 15 1.264 -1.594 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.823 -1.052 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.672 -1.711 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.393 -2.738 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.517 -1.759 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.995 -3.473 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.320 -2.932 -2.900 1.00 0.00 H new ATOM 185 N TYR A 16 1.862 -5.119 1.380 1.00 0.00 N ATOM 186 CA TYR A 16 2.254 -6.261 2.199 1.00 0.00 C ATOM 187 C TYR A 16 1.041 -6.881 2.885 1.00 0.00 C ATOM 188 O TYR A 16 0.744 -8.060 2.698 1.00 0.00 O ATOM 189 CB TYR A 16 3.284 -5.834 3.247 1.00 0.00 C ATOM 190 CG TYR A 16 4.025 -6.993 3.874 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.738 -7.893 3.090 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.013 -7.189 5.249 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.417 -8.954 3.659 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.690 -8.246 5.826 1.00 0.00 C ATOM 195 CZ TYR A 16 5.390 -9.126 5.027 1.00 0.00 C ATOM 196 OH TYR A 16 6.064 -10.181 5.598 1.00 0.00 O ATOM 0 H TYR A 16 2.287 -4.234 1.658 1.00 0.00 H new ATOM 0 HA TYR A 16 2.700 -7.009 1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.005 -5.161 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.780 -5.269 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.762 -7.761 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.465 -6.503 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.966 -9.645 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.671 -8.383 6.897 1.00 0.00 H new ATOM 0 HH TYR A 16 6.340 -9.939 6.507 1.00 0.00 H new ATOM 206 N ASN A 17 0.343 -6.077 3.680 1.00 0.00 N ATOM 207 CA ASN A 17 -0.838 -6.545 4.395 1.00 0.00 C ATOM 208 C ASN A 17 -1.801 -7.256 3.448 1.00 0.00 C ATOM 209 O ASN A 17 -2.289 -8.346 3.746 1.00 0.00 O ATOM 210 CB ASN A 17 -1.547 -5.372 5.075 1.00 0.00 C ATOM 211 CG ASN A 17 -0.580 -4.446 5.786 1.00 0.00 C ATOM 212 OD1 ASN A 17 0.547 -4.830 6.101 1.00 0.00 O ATOM 213 ND2 ASN A 17 -1.016 -3.218 6.042 1.00 0.00 N ATOM 0 H ASN A 17 0.575 -5.098 3.845 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.514 -7.255 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.105 -4.807 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.272 -5.756 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.409 -2.550 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.958 -2.943 5.763 1.00 0.00 H new ATOM 220 N ARG A 18 -2.068 -6.631 2.306 1.00 0.00 N ATOM 221 CA ARG A 18 -2.972 -7.202 1.316 1.00 0.00 C ATOM 222 C ARG A 18 -2.445 -8.541 0.807 1.00 0.00 C ATOM 223 O ARG A 18 -3.188 -9.519 0.717 1.00 0.00 O ATOM 224 CB ARG A 18 -3.157 -6.236 0.145 1.00 0.00 C ATOM 225 CG ARG A 18 -4.303 -6.612 -0.780 1.00 0.00 C ATOM 226 CD ARG A 18 -4.788 -5.413 -1.581 1.00 0.00 C ATOM 227 NE ARG A 18 -5.557 -4.482 -0.760 1.00 0.00 N ATOM 228 CZ ARG A 18 -5.716 -3.197 -1.059 1.00 0.00 C ATOM 229 NH1 ARG A 18 -5.163 -2.695 -2.155 1.00 0.00 N ATOM 230 NH2 ARG A 18 -6.429 -2.412 -0.262 1.00 0.00 N ATOM 0 H ARG A 18 -1.671 -5.729 2.044 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.937 -7.369 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.331 -5.234 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.233 -6.197 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.979 -7.399 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.128 -7.017 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.932 -4.894 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.403 -5.757 -2.412 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.996 -4.837 0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.614 -3.296 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.286 -1.708 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.856 -2.795 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.550 -1.426 -0.493 1.00 0.00 H new ATOM 244 N LEU A 19 -1.159 -8.576 0.475 1.00 0.00 N ATOM 245 CA LEU A 19 -0.532 -9.795 -0.026 1.00 0.00 C ATOM 246 C LEU A 19 -0.632 -10.920 0.999 1.00 0.00 C ATOM 247 O LEU A 19 -1.085 -12.021 0.686 1.00 0.00 O ATOM 248 CB LEU A 19 0.935 -9.532 -0.370 1.00 0.00 C ATOM 249 CG LEU A 19 1.206 -8.962 -1.763 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.661 -8.536 -1.892 1.00 0.00 C ATOM 251 CD2 LEU A 19 0.850 -9.982 -2.835 1.00 0.00 C ATOM 0 H LEU A 19 -0.531 -7.776 0.543 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.061 -10.103 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.343 -8.842 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.485 -10.468 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 19 0.578 -8.083 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.835 -8.133 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.884 -7.771 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.308 -9.398 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.049 -9.559 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.452 -10.880 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.207 -10.238 -2.757 1.00 0.00 H new ATOM 263 N VAL A 20 -0.208 -10.634 2.227 1.00 0.00 N ATOM 264 CA VAL A 20 -0.252 -11.621 3.299 1.00 0.00 C ATOM 265 C VAL A 20 -1.083 -11.118 4.474 1.00 0.00 C ATOM 266 O VAL A 20 -0.556 -10.652 5.485 1.00 0.00 O ATOM 267 CB VAL A 20 1.162 -11.972 3.798 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.097 -13.037 4.882 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.036 -12.432 2.640 1.00 0.00 C ATOM 0 H VAL A 20 0.169 -9.728 2.503 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.716 -12.517 2.886 1.00 0.00 H new ATOM 0 HB VAL A 20 1.609 -11.076 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.106 -13.272 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.508 -12.667 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.631 -13.937 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.032 -12.676 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.594 -13.315 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.109 -11.635 1.900 1.00 0.00 H new ATOM 279 N PRO A 21 -2.414 -11.212 4.341 1.00 0.00 N ATOM 280 CA PRO A 21 -3.347 -10.773 5.383 1.00 0.00 C ATOM 281 C PRO A 21 -3.308 -11.672 6.614 1.00 0.00 C ATOM 282 O PRO A 21 -2.944 -12.846 6.526 1.00 0.00 O ATOM 283 CB PRO A 21 -4.713 -10.864 4.698 1.00 0.00 C ATOM 284 CG PRO A 21 -4.534 -11.889 3.632 1.00 0.00 C ATOM 285 CD PRO A 21 -3.111 -11.757 3.164 1.00 0.00 C ATOM 0 HA PRO A 21 -3.105 -9.776 5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.491 -11.158 5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.010 -9.903 4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.727 -12.890 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.232 -11.724 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.697 -12.719 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.031 -11.091 2.305 1.00 0.00 H new ATOM 293 N LEU A 22 -3.684 -11.115 7.760 1.00 0.00 N ATOM 294 CA LEU A 22 -3.693 -11.868 9.010 1.00 0.00 C ATOM 295 C LEU A 22 -4.897 -12.801 9.075 1.00 0.00 C ATOM 296 O LEU A 22 -6.044 -12.356 9.031 1.00 0.00 O ATOM 297 CB LEU A 22 -3.708 -10.912 10.203 1.00 0.00 C ATOM 298 CG LEU A 22 -3.170 -11.473 11.520 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.590 -12.924 11.693 1.00 0.00 C ATOM 300 CD2 LEU A 22 -1.655 -11.344 11.575 1.00 0.00 C ATOM 0 H LEU A 22 -3.987 -10.145 7.850 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.787 -12.473 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.125 -10.029 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.734 -10.581 10.365 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.594 -10.893 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.198 -13.306 12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.678 -12.990 11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.195 -13.518 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.289 -11.748 12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.212 -11.898 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.376 -10.293 11.498 1.00 0.00 H new ATOM 312 N VAL A 23 -4.629 -14.099 9.183 1.00 0.00 N ATOM 313 CA VAL A 23 -5.690 -15.095 9.258 1.00 0.00 C ATOM 314 C VAL A 23 -5.451 -16.067 10.408 1.00 0.00 C ATOM 315 O VAL A 23 -4.345 -16.574 10.586 1.00 0.00 O ATOM 316 CB VAL A 23 -5.808 -15.891 7.945 1.00 0.00 C ATOM 317 CG1 VAL A 23 -6.401 -15.022 6.846 1.00 0.00 C ATOM 318 CG2 VAL A 23 -4.450 -16.436 7.530 1.00 0.00 C ATOM 0 H VAL A 23 -3.685 -14.485 9.220 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.620 -14.553 9.430 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.478 -16.735 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.477 -15.601 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.393 -14.684 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.758 -14.158 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.551 -16.996 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.756 -15.609 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.068 -17.094 8.310 1.00 0.00 H new ATOM 328 N ASN A 24 -6.498 -16.322 11.188 1.00 0.00 N ATOM 329 CA ASN A 24 -6.401 -17.234 12.322 1.00 0.00 C ATOM 330 C ASN A 24 -5.278 -16.813 13.264 1.00 0.00 C ATOM 331 O ASN A 24 -4.581 -17.654 13.831 1.00 0.00 O ATOM 332 CB ASN A 24 -6.164 -18.664 11.834 1.00 0.00 C ATOM 333 CG ASN A 24 -7.312 -19.185 10.990 1.00 0.00 C ATOM 334 OD1 ASN A 24 -8.466 -19.176 11.418 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.998 -19.643 9.784 1.00 0.00 N ATOM 0 H ASN A 24 -7.422 -15.910 11.055 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.343 -17.196 12.869 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.244 -18.698 11.251 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.022 -19.319 12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.727 -20.007 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.027 -19.631 9.471 1.00 0.00 H new ATOM 342 N GLY A 25 -5.109 -15.504 13.428 1.00 0.00 N ATOM 343 CA GLY A 25 -4.069 -14.994 14.303 1.00 0.00 C ATOM 344 C GLY A 25 -2.689 -15.476 13.905 1.00 0.00 C ATOM 345 O GLY A 25 -1.836 -15.716 14.760 1.00 0.00 O ATOM 0 H GLY A 25 -5.674 -14.788 12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.088 -13.904 14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.277 -15.303 15.328 1.00 0.00 H new ATOM 349 N VAL A 26 -2.467 -15.621 12.602 1.00 0.00 N ATOM 350 CA VAL A 26 -1.180 -16.078 12.092 1.00 0.00 C ATOM 351 C VAL A 26 -1.074 -15.856 10.588 1.00 0.00 C ATOM 352 O VAL A 26 -2.043 -16.046 9.853 1.00 0.00 O ATOM 353 CB VAL A 26 -0.954 -17.571 12.397 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.997 -18.424 11.690 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.452 -17.990 11.993 1.00 0.00 C ATOM 0 H VAL A 26 -3.162 -15.428 11.881 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.413 -15.491 12.597 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.060 -17.725 13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.822 -19.476 11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.992 -18.140 12.032 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.925 -18.268 10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.595 -19.047 12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.589 -17.822 10.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.181 -17.401 12.549 1.00 0.00 H new ATOM 365 N ARG A 27 0.109 -15.453 10.136 1.00 0.00 N ATOM 366 CA ARG A 27 0.341 -15.204 8.718 1.00 0.00 C ATOM 367 C ARG A 27 1.335 -16.210 8.145 1.00 0.00 C ATOM 368 O ARG A 27 2.292 -16.600 8.813 1.00 0.00 O ATOM 369 CB ARG A 27 0.861 -13.781 8.507 1.00 0.00 C ATOM 370 CG ARG A 27 -0.231 -12.723 8.534 1.00 0.00 C ATOM 371 CD ARG A 27 0.345 -11.325 8.376 1.00 0.00 C ATOM 372 NE ARG A 27 0.931 -10.830 9.619 1.00 0.00 N ATOM 373 CZ ARG A 27 1.844 -9.867 9.668 1.00 0.00 C ATOM 374 NH1 ARG A 27 2.273 -9.298 8.550 1.00 0.00 N ATOM 375 NH2 ARG A 27 2.330 -9.470 10.837 1.00 0.00 N ATOM 0 H ARG A 27 0.922 -15.292 10.731 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.608 -15.318 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.595 -13.553 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.380 -13.731 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.946 -12.916 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.779 -12.788 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.105 -11.332 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.441 -10.644 8.050 1.00 0.00 H new ATOM 0 HE ARG A 27 0.622 -11.247 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.902 -9.600 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.974 -8.559 8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.002 -9.905 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.031 -8.730 10.873 1.00 0.00 H new ATOM 389 N GLU A 28 1.099 -16.626 6.905 1.00 0.00 N ATOM 390 CA GLU A 28 1.973 -17.588 6.243 1.00 0.00 C ATOM 391 C GLU A 28 1.970 -17.376 4.732 1.00 0.00 C ATOM 392 O GLU A 28 0.912 -17.326 4.103 1.00 0.00 O ATOM 393 CB GLU A 28 1.535 -19.017 6.570 1.00 0.00 C ATOM 394 CG GLU A 28 2.202 -19.589 7.810 1.00 0.00 C ATOM 395 CD GLU A 28 3.498 -20.310 7.495 1.00 0.00 C ATOM 396 OE1 GLU A 28 3.502 -21.144 6.565 1.00 0.00 O ATOM 397 OE2 GLU A 28 4.508 -20.042 8.179 1.00 0.00 O ATOM 0 H GLU A 28 0.311 -16.312 6.339 1.00 0.00 H new ATOM 0 HA GLU A 28 2.987 -17.433 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.454 -19.034 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.757 -19.660 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.402 -18.782 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.516 -20.280 8.301 1.00 0.00 H new ATOM 404 N PHE A 29 3.161 -17.253 4.156 1.00 0.00 N ATOM 405 CA PHE A 29 3.296 -17.045 2.719 1.00 0.00 C ATOM 406 C PHE A 29 2.626 -18.174 1.940 1.00 0.00 C ATOM 407 O PHE A 29 2.353 -19.242 2.487 1.00 0.00 O ATOM 408 CB PHE A 29 4.774 -16.951 2.333 1.00 0.00 C ATOM 409 CG PHE A 29 5.401 -15.632 2.679 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.836 -14.445 2.242 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.557 -15.578 3.442 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.411 -13.228 2.559 1.00 0.00 C ATOM 413 CE2 PHE A 29 7.136 -14.365 3.763 1.00 0.00 C ATOM 414 CZ PHE A 29 6.563 -13.188 3.320 1.00 0.00 C ATOM 0 H PHE A 29 4.046 -17.294 4.662 1.00 0.00 H new ATOM 0 HA PHE A 29 2.800 -16.108 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.323 -17.748 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.873 -17.121 1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.935 -14.470 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.010 -16.495 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.960 -12.310 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.036 -14.337 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.015 -12.239 3.568 1.00 0.00 H new ATOM 424 N SER A 30 2.364 -17.928 0.660 1.00 0.00 N ATOM 425 CA SER A 30 1.722 -18.920 -0.193 1.00 0.00 C ATOM 426 C SER A 30 2.733 -19.554 -1.144 1.00 0.00 C ATOM 427 O SER A 30 3.826 -19.027 -1.345 1.00 0.00 O ATOM 428 CB SER A 30 0.586 -18.279 -0.992 1.00 0.00 C ATOM 429 OG SER A 30 -0.513 -17.966 -0.153 1.00 0.00 O ATOM 0 H SER A 30 2.587 -17.050 0.191 1.00 0.00 H new ATOM 0 HA SER A 30 1.311 -19.701 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.946 -17.373 -1.479 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.264 -18.958 -1.781 1.00 0.00 H new ATOM 0 HG SER A 30 -1.225 -17.556 -0.686 1.00 0.00 H new ATOM 435 N GLU A 31 2.357 -20.689 -1.726 1.00 0.00 N ATOM 436 CA GLU A 31 3.231 -21.395 -2.656 1.00 0.00 C ATOM 437 C GLU A 31 3.716 -20.463 -3.762 1.00 0.00 C ATOM 438 O GLU A 31 4.864 -20.547 -4.201 1.00 0.00 O ATOM 439 CB GLU A 31 2.501 -22.593 -3.267 1.00 0.00 C ATOM 440 CG GLU A 31 1.192 -22.226 -3.946 1.00 0.00 C ATOM 441 CD GLU A 31 0.612 -23.372 -4.752 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.316 -24.428 -4.155 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.454 -23.212 -5.981 1.00 0.00 O ATOM 0 H GLU A 31 1.455 -21.138 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 31 4.098 -21.752 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.155 -23.074 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.302 -23.325 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.470 -21.916 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.355 -21.371 -4.602 1.00 0.00 H new ATOM 450 N ILE A 32 2.834 -19.576 -4.209 1.00 0.00 N ATOM 451 CA ILE A 32 3.171 -18.627 -5.264 1.00 0.00 C ATOM 452 C ILE A 32 4.101 -17.536 -4.744 1.00 0.00 C ATOM 453 O ILE A 32 5.058 -17.151 -5.417 1.00 0.00 O ATOM 454 CB ILE A 32 1.910 -17.972 -5.856 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.994 -19.035 -6.466 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.293 -16.933 -6.900 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.367 -18.507 -6.860 1.00 0.00 C ATOM 0 H ILE A 32 1.880 -19.494 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 32 3.678 -19.191 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 32 1.369 -17.471 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.479 -19.459 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.866 -19.847 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.391 -16.479 -7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.909 -16.162 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.854 -17.413 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.962 -19.316 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.872 -18.109 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.250 -17.715 -7.600 1.00 0.00 H new ATOM 469 N GLN A 33 3.815 -17.044 -3.544 1.00 0.00 N ATOM 470 CA GLN A 33 4.627 -15.998 -2.934 1.00 0.00 C ATOM 471 C GLN A 33 6.047 -16.492 -2.676 1.00 0.00 C ATOM 472 O GLN A 33 7.012 -15.737 -2.804 1.00 0.00 O ATOM 473 CB GLN A 33 3.992 -15.528 -1.624 1.00 0.00 C ATOM 474 CG GLN A 33 2.640 -14.857 -1.810 1.00 0.00 C ATOM 475 CD GLN A 33 1.880 -14.707 -0.507 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.243 -15.299 0.509 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.816 -13.912 -0.531 1.00 0.00 N ATOM 0 H GLN A 33 3.027 -17.353 -2.974 1.00 0.00 H new ATOM 0 HA GLN A 33 4.674 -15.159 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.875 -16.384 -0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.670 -14.831 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.785 -13.874 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.042 -15.440 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.551 -13.441 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.264 -13.773 0.315 1.00 0.00 H new ATOM 486 N LEU A 34 6.168 -17.763 -2.310 1.00 0.00 N ATOM 487 CA LEU A 34 7.471 -18.359 -2.033 1.00 0.00 C ATOM 488 C LEU A 34 8.256 -18.575 -3.323 1.00 0.00 C ATOM 489 O LEU A 34 9.298 -17.955 -3.538 1.00 0.00 O ATOM 490 CB LEU A 34 7.299 -19.690 -1.298 1.00 0.00 C ATOM 491 CG LEU A 34 6.430 -19.654 -0.040 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.728 -20.988 0.161 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.270 -19.303 1.179 1.00 0.00 C ATOM 0 H LEU A 34 5.380 -18.401 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 34 8.031 -17.671 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.869 -20.413 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.286 -20.061 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 34 5.671 -18.882 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.114 -20.944 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.095 -21.199 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.471 -21.778 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.635 -19.282 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.051 -20.052 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.726 -18.323 1.037 1.00 0.00 H new ATOM 505 N SER A 35 7.748 -19.456 -4.178 1.00 0.00 N ATOM 506 CA SER A 35 8.403 -19.755 -5.446 1.00 0.00 C ATOM 507 C SER A 35 8.916 -18.479 -6.107 1.00 0.00 C ATOM 508 O SER A 35 9.975 -18.475 -6.735 1.00 0.00 O ATOM 509 CB SER A 35 7.435 -20.476 -6.387 1.00 0.00 C ATOM 510 OG SER A 35 8.135 -21.267 -7.331 1.00 0.00 O ATOM 0 H SER A 35 6.885 -19.975 -4.016 1.00 0.00 H new ATOM 0 HA SER A 35 9.254 -20.406 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.762 -21.107 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.817 -19.745 -6.908 1.00 0.00 H new ATOM 0 HG SER A 35 7.494 -21.718 -7.919 1.00 0.00 H new ATOM 516 N ARG A 36 8.158 -17.398 -5.959 1.00 0.00 N ATOM 517 CA ARG A 36 8.535 -16.115 -6.542 1.00 0.00 C ATOM 518 C ARG A 36 9.591 -15.420 -5.688 1.00 0.00 C ATOM 519 O ARG A 36 10.424 -14.671 -6.200 1.00 0.00 O ATOM 520 CB ARG A 36 7.306 -15.216 -6.685 1.00 0.00 C ATOM 521 CG ARG A 36 6.843 -14.603 -5.373 1.00 0.00 C ATOM 522 CD ARG A 36 6.010 -13.352 -5.606 1.00 0.00 C ATOM 523 NE ARG A 36 4.618 -13.671 -5.913 1.00 0.00 N ATOM 524 CZ ARG A 36 3.609 -12.832 -5.706 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.836 -11.630 -5.195 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.370 -13.195 -6.012 1.00 0.00 N ATOM 0 H ARG A 36 7.280 -17.384 -5.441 1.00 0.00 H new ATOM 0 HA ARG A 36 8.957 -16.302 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.532 -14.416 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.489 -15.797 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.256 -15.333 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.710 -14.356 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.050 -12.719 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.440 -12.778 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 36 4.409 -14.588 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.787 -11.347 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.059 -10.988 -5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.192 -14.119 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.596 -12.550 -5.853 1.00 0.00 H new ATOM 540 N LEU A 37 9.550 -15.672 -4.385 1.00 0.00 N ATOM 541 CA LEU A 37 10.504 -15.070 -3.459 1.00 0.00 C ATOM 542 C LEU A 37 11.903 -15.636 -3.674 1.00 0.00 C ATOM 543 O LEU A 37 12.893 -14.903 -3.647 1.00 0.00 O ATOM 544 CB LEU A 37 10.061 -15.307 -2.014 1.00 0.00 C ATOM 545 CG LEU A 37 9.048 -14.311 -1.450 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.301 -14.918 -0.273 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.742 -13.021 -1.036 1.00 0.00 C ATOM 0 H LEU A 37 8.867 -16.289 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 37 10.533 -13.998 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.633 -16.307 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.946 -15.294 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 37 8.325 -14.076 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.584 -14.194 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.772 -15.813 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.011 -15.182 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.006 -12.324 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.488 -13.238 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.230 -12.576 -1.903 1.00 0.00 H new ATOM 559 N LYS A 38 11.980 -16.945 -3.889 1.00 0.00 N ATOM 560 CA LYS A 38 13.258 -17.611 -4.112 1.00 0.00 C ATOM 561 C LYS A 38 14.139 -16.795 -5.053 1.00 0.00 C ATOM 562 O LYS A 38 15.315 -16.563 -4.773 1.00 0.00 O ATOM 563 CB LYS A 38 13.033 -19.010 -4.691 1.00 0.00 C ATOM 564 CG LYS A 38 12.863 -20.086 -3.633 1.00 0.00 C ATOM 565 CD LYS A 38 13.161 -21.468 -4.190 1.00 0.00 C ATOM 566 CE LYS A 38 12.879 -22.555 -3.165 1.00 0.00 C ATOM 567 NZ LYS A 38 13.017 -23.918 -3.749 1.00 0.00 N ATOM 0 H LYS A 38 11.171 -17.566 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 38 13.766 -17.699 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.147 -18.993 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.877 -19.270 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.527 -19.880 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.844 -20.060 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.556 -21.641 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.205 -21.520 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.565 -22.449 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.871 -22.429 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.817 -24.631 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.344 -24.029 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.986 -24.048 -4.103 1.00 0.00 H new ATOM 581 N LYS A 39 13.563 -16.362 -6.169 1.00 0.00 N ATOM 582 CA LYS A 39 14.294 -15.570 -7.151 1.00 0.00 C ATOM 583 C LYS A 39 15.068 -14.444 -6.473 1.00 0.00 C ATOM 584 O LYS A 39 16.271 -14.286 -6.689 1.00 0.00 O ATOM 585 CB LYS A 39 13.331 -14.988 -8.188 1.00 0.00 C ATOM 586 CG LYS A 39 12.992 -15.953 -9.311 1.00 0.00 C ATOM 587 CD LYS A 39 12.041 -17.042 -8.843 1.00 0.00 C ATOM 588 CE LYS A 39 11.774 -18.059 -9.942 1.00 0.00 C ATOM 589 NZ LYS A 39 10.617 -17.666 -10.793 1.00 0.00 N ATOM 0 H LYS A 39 12.591 -16.546 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 39 15.005 -16.226 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.410 -14.687 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.771 -14.087 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.541 -15.406 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.907 -16.407 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.463 -17.546 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.100 -16.593 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.663 -18.163 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.581 -19.034 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.468 -18.385 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.763 -17.591 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.811 -16.747 -11.240 1.00 0.00 H new ATOM 603 N LEU A 40 14.373 -13.664 -5.652 1.00 0.00 N ATOM 604 CA LEU A 40 14.996 -12.553 -4.941 1.00 0.00 C ATOM 605 C LEU A 40 16.110 -13.049 -4.025 1.00 0.00 C ATOM 606 O LEU A 40 17.100 -12.354 -3.802 1.00 0.00 O ATOM 607 CB LEU A 40 13.949 -11.794 -4.124 1.00 0.00 C ATOM 608 CG LEU A 40 12.794 -11.181 -4.918 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.593 -10.944 -4.016 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.231 -9.881 -5.578 1.00 0.00 C ATOM 0 H LEU A 40 13.378 -13.781 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 40 15.431 -11.879 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.532 -12.475 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.452 -10.996 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 40 12.503 -11.883 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.781 -10.508 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.265 -11.892 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.871 -10.262 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.397 -9.459 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.549 -9.173 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.061 -10.078 -6.256 1.00 0.00 H new ATOM 622 N GLY A 41 15.941 -14.258 -3.497 1.00 0.00 N ATOM 623 CA GLY A 41 16.941 -14.828 -2.613 1.00 0.00 C ATOM 624 C GLY A 41 16.548 -14.730 -1.153 1.00 0.00 C ATOM 625 O GLY A 41 17.407 -14.719 -0.271 1.00 0.00 O ATOM 0 H GLY A 41 15.130 -14.852 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.098 -15.875 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.891 -14.315 -2.766 1.00 0.00 H new ATOM 629 N ILE A 42 15.246 -14.656 -0.896 1.00 0.00 N ATOM 630 CA ILE A 42 14.741 -14.558 0.467 1.00 0.00 C ATOM 631 C ILE A 42 14.346 -15.928 1.008 1.00 0.00 C ATOM 632 O ILE A 42 13.219 -16.384 0.811 1.00 0.00 O ATOM 633 CB ILE A 42 13.525 -13.616 0.551 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.929 -12.191 0.170 1.00 0.00 C ATOM 635 CG2 ILE A 42 12.926 -13.647 1.949 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.755 -11.250 0.017 1.00 0.00 C ATOM 0 H ILE A 42 14.522 -14.662 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 42 15.550 -14.150 1.073 1.00 0.00 H new ATOM 0 HB ILE A 42 12.769 -13.960 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.603 -11.797 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.487 -12.218 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.068 -12.976 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.606 -14.662 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.675 -13.325 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.117 -10.258 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.092 -11.620 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.209 -11.193 0.959 1.00 0.00 H new ATOM 648 N HIS A 43 15.281 -16.580 1.692 1.00 0.00 N ATOM 649 CA HIS A 43 15.031 -17.898 2.263 1.00 0.00 C ATOM 650 C HIS A 43 14.271 -17.783 3.582 1.00 0.00 C ATOM 651 O HIS A 43 14.604 -18.450 4.562 1.00 0.00 O ATOM 652 CB HIS A 43 16.349 -18.641 2.484 1.00 0.00 C ATOM 653 CG HIS A 43 17.046 -19.015 1.212 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.380 -19.485 0.100 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.357 -18.985 0.879 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.253 -19.729 -0.862 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.460 -19.434 -0.415 1.00 0.00 N ATOM 0 H HIS A 43 16.218 -16.217 1.864 1.00 0.00 H new ATOM 0 HA HIS A 43 14.419 -18.462 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.013 -18.017 3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.155 -19.545 3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.171 -18.667 1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.019 -20.106 -1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.327 -19.525 -0.944 1.00 0.00 H new ATOM 666 N LYS A 44 13.250 -16.933 3.598 1.00 0.00 N ATOM 667 CA LYS A 44 12.442 -16.730 4.795 1.00 0.00 C ATOM 668 C LYS A 44 11.031 -17.274 4.598 1.00 0.00 C ATOM 669 O LYS A 44 10.479 -17.215 3.498 1.00 0.00 O ATOM 670 CB LYS A 44 12.382 -15.243 5.149 1.00 0.00 C ATOM 671 CG LYS A 44 13.564 -14.766 5.975 1.00 0.00 C ATOM 672 CD LYS A 44 13.554 -13.256 6.144 1.00 0.00 C ATOM 673 CE LYS A 44 14.874 -12.748 6.704 1.00 0.00 C ATOM 674 NZ LYS A 44 15.867 -12.480 5.627 1.00 0.00 N ATOM 0 H LYS A 44 12.962 -16.373 2.795 1.00 0.00 H new ATOM 0 HA LYS A 44 12.911 -17.274 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.334 -14.661 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.462 -15.046 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.540 -15.243 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.493 -15.073 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.360 -12.783 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.741 -12.969 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.700 -11.835 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.281 -13.483 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.753 -12.136 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.053 -13.357 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.490 -11.760 4.978 1.00 0.00 H new ATOM 688 N THR A 45 10.450 -17.803 5.670 1.00 0.00 N ATOM 689 CA THR A 45 9.102 -18.356 5.614 1.00 0.00 C ATOM 690 C THR A 45 8.113 -17.471 6.364 1.00 0.00 C ATOM 691 O THR A 45 7.018 -17.195 5.874 1.00 0.00 O ATOM 692 CB THR A 45 9.054 -19.777 6.207 1.00 0.00 C ATOM 693 OG1 THR A 45 9.619 -19.779 7.523 1.00 0.00 O ATOM 694 CG2 THR A 45 9.811 -20.758 5.323 1.00 0.00 C ATOM 0 H THR A 45 10.892 -17.860 6.588 1.00 0.00 H new ATOM 0 HA THR A 45 8.821 -18.399 4.562 1.00 0.00 H new ATOM 0 HB THR A 45 8.011 -20.089 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.583 -20.686 7.893 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.763 -21.755 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.360 -20.776 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.852 -20.446 5.243 1.00 0.00 H new ATOM 702 N ASP A 46 8.506 -17.029 7.554 1.00 0.00 N ATOM 703 CA ASP A 46 7.654 -16.174 8.371 1.00 0.00 C ATOM 704 C ASP A 46 7.633 -14.749 7.827 1.00 0.00 C ATOM 705 O ASP A 46 8.650 -14.210 7.391 1.00 0.00 O ATOM 706 CB ASP A 46 8.137 -16.172 9.822 1.00 0.00 C ATOM 707 CG ASP A 46 7.038 -15.805 10.799 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.040 -16.553 10.877 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.175 -14.771 11.485 1.00 0.00 O ATOM 0 H ASP A 46 9.409 -17.249 7.974 1.00 0.00 H new ATOM 0 HA ASP A 46 6.640 -16.573 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.527 -17.158 10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.962 -15.467 9.926 1.00 0.00 H new ATOM 714 N PRO A 47 6.447 -14.123 7.851 1.00 0.00 N ATOM 715 CA PRO A 47 6.265 -12.752 7.363 1.00 0.00 C ATOM 716 C PRO A 47 6.937 -11.722 8.265 1.00 0.00 C ATOM 717 O PRO A 47 7.057 -10.552 7.903 1.00 0.00 O ATOM 718 CB PRO A 47 4.745 -12.568 7.381 1.00 0.00 C ATOM 719 CG PRO A 47 4.260 -13.526 8.414 1.00 0.00 C ATOM 720 CD PRO A 47 5.192 -14.705 8.357 1.00 0.00 C ATOM 0 HA PRO A 47 6.714 -12.606 6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.473 -11.543 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.309 -12.783 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.268 -13.070 9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.233 -13.830 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.327 -15.159 9.339 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.815 -15.484 7.695 1.00 0.00 H new ATOM 728 N SER A 48 7.373 -12.166 9.439 1.00 0.00 N ATOM 729 CA SER A 48 8.031 -11.281 10.394 1.00 0.00 C ATOM 730 C SER A 48 9.528 -11.197 10.114 1.00 0.00 C ATOM 731 O SER A 48 10.123 -10.119 10.168 1.00 0.00 O ATOM 732 CB SER A 48 7.794 -11.772 11.823 1.00 0.00 C ATOM 733 OG SER A 48 7.789 -10.691 12.740 1.00 0.00 O ATOM 0 H SER A 48 7.283 -13.133 9.752 1.00 0.00 H new ATOM 0 HA SER A 48 7.602 -10.285 10.284 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.843 -12.302 11.876 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.571 -12.484 12.100 1.00 0.00 H new ATOM 0 HG SER A 48 7.634 -11.031 13.646 1.00 0.00 H new ATOM 739 N THR A 49 10.134 -12.342 9.816 1.00 0.00 N ATOM 740 CA THR A 49 11.561 -12.400 9.529 1.00 0.00 C ATOM 741 C THR A 49 11.949 -11.385 8.459 1.00 0.00 C ATOM 742 O THR A 49 12.953 -10.683 8.589 1.00 0.00 O ATOM 743 CB THR A 49 11.984 -13.806 9.063 1.00 0.00 C ATOM 744 OG1 THR A 49 11.185 -14.213 7.947 1.00 0.00 O ATOM 745 CG2 THR A 49 11.841 -14.816 10.192 1.00 0.00 C ATOM 0 H THR A 49 9.658 -13.243 9.767 1.00 0.00 H new ATOM 0 HA THR A 49 12.079 -12.161 10.458 1.00 0.00 H new ATOM 0 HB THR A 49 13.031 -13.766 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.242 -14.236 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.145 -15.801 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.473 -14.519 11.028 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.802 -14.852 10.518 1.00 0.00 H new ATOM 753 N LEU A 50 11.147 -11.310 7.403 1.00 0.00 N ATOM 754 CA LEU A 50 11.406 -10.379 6.310 1.00 0.00 C ATOM 755 C LEU A 50 11.503 -8.947 6.826 1.00 0.00 C ATOM 756 O LEU A 50 10.761 -8.547 7.725 1.00 0.00 O ATOM 757 CB LEU A 50 10.301 -10.480 5.256 1.00 0.00 C ATOM 758 CG LEU A 50 10.461 -11.594 4.221 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.923 -12.908 4.765 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.755 -11.223 2.925 1.00 0.00 C ATOM 0 H LEU A 50 10.312 -11.883 7.280 1.00 0.00 H new ATOM 0 HA LEU A 50 12.360 -10.647 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.349 -10.621 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.241 -9.528 4.729 1.00 0.00 H new ATOM 0 HG LEU A 50 11.523 -11.719 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.045 -13.689 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.472 -13.181 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.865 -12.797 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.879 -12.027 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.693 -11.071 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.186 -10.305 2.526 1.00 0.00 H new ATOM 772 N THR A 51 12.421 -8.177 6.251 1.00 0.00 N ATOM 773 CA THR A 51 12.615 -6.789 6.652 1.00 0.00 C ATOM 774 C THR A 51 12.037 -5.832 5.616 1.00 0.00 C ATOM 775 O THR A 51 11.841 -6.201 4.459 1.00 0.00 O ATOM 776 CB THR A 51 14.108 -6.467 6.855 1.00 0.00 C ATOM 777 OG1 THR A 51 14.259 -5.118 7.312 1.00 0.00 O ATOM 778 CG2 THR A 51 14.884 -6.659 5.561 1.00 0.00 C ATOM 0 H THR A 51 13.042 -8.491 5.506 1.00 0.00 H new ATOM 0 HA THR A 51 12.090 -6.656 7.598 1.00 0.00 H new ATOM 0 HB THR A 51 14.507 -7.152 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.210 -4.921 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.935 -6.426 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.790 -7.693 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.483 -5.996 4.795 1.00 0.00 H new ATOM 786 N GLU A 52 11.766 -4.602 6.040 1.00 0.00 N ATOM 787 CA GLU A 52 11.209 -3.592 5.148 1.00 0.00 C ATOM 788 C GLU A 52 11.867 -3.659 3.773 1.00 0.00 C ATOM 789 O GLU A 52 11.186 -3.670 2.748 1.00 0.00 O ATOM 790 CB GLU A 52 11.391 -2.195 5.745 1.00 0.00 C ATOM 791 CG GLU A 52 10.413 -1.879 6.863 1.00 0.00 C ATOM 792 CD GLU A 52 10.576 -0.470 7.401 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.248 0.486 6.667 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.033 -0.324 8.554 1.00 0.00 O ATOM 0 H GLU A 52 11.923 -4.281 6.995 1.00 0.00 H new ATOM 0 HA GLU A 52 10.144 -3.794 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.408 -2.102 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.278 -1.454 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.395 -2.008 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.553 -2.592 7.675 1.00 0.00 H new ATOM 801 N GLU A 53 13.196 -3.702 3.760 1.00 0.00 N ATOM 802 CA GLU A 53 13.946 -3.767 2.512 1.00 0.00 C ATOM 803 C GLU A 53 13.423 -4.890 1.620 1.00 0.00 C ATOM 804 O GLU A 53 13.356 -4.746 0.400 1.00 0.00 O ATOM 805 CB GLU A 53 15.435 -3.977 2.795 1.00 0.00 C ATOM 806 CG GLU A 53 16.308 -3.895 1.555 1.00 0.00 C ATOM 807 CD GLU A 53 17.764 -4.207 1.844 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.025 -5.138 2.635 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.641 -3.521 1.279 1.00 0.00 O ATOM 0 H GLU A 53 13.775 -3.693 4.600 1.00 0.00 H new ATOM 0 HA GLU A 53 13.813 -2.820 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.769 -3.229 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.573 -4.952 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.933 -4.591 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.233 -2.895 1.128 1.00 0.00 H new ATOM 816 N GLU A 54 13.056 -6.007 2.240 1.00 0.00 N ATOM 817 CA GLU A 54 12.541 -7.155 1.503 1.00 0.00 C ATOM 818 C GLU A 54 11.046 -7.005 1.237 1.00 0.00 C ATOM 819 O GLU A 54 10.544 -7.423 0.194 1.00 0.00 O ATOM 820 CB GLU A 54 12.805 -8.447 2.278 1.00 0.00 C ATOM 821 CG GLU A 54 14.273 -8.676 2.597 1.00 0.00 C ATOM 822 CD GLU A 54 15.119 -8.861 1.352 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.128 -7.949 0.500 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.772 -9.918 1.231 1.00 0.00 O ATOM 0 H GLU A 54 13.106 -6.141 3.250 1.00 0.00 H new ATOM 0 HA GLU A 54 13.060 -7.202 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.239 -8.424 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.432 -9.291 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.653 -7.829 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.370 -9.557 3.232 1.00 0.00 H new ATOM 831 N VAL A 55 10.339 -6.405 2.190 1.00 0.00 N ATOM 832 CA VAL A 55 8.902 -6.198 2.060 1.00 0.00 C ATOM 833 C VAL A 55 8.576 -5.363 0.827 1.00 0.00 C ATOM 834 O VAL A 55 7.686 -5.708 0.048 1.00 0.00 O ATOM 835 CB VAL A 55 8.319 -5.504 3.305 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.853 -5.163 3.090 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.496 -6.381 4.535 1.00 0.00 C ATOM 0 H VAL A 55 10.739 -6.054 3.060 1.00 0.00 H new ATOM 0 HA VAL A 55 8.449 -7.184 1.958 1.00 0.00 H new ATOM 0 HB VAL A 55 8.863 -4.574 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.459 -4.673 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.757 -4.494 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.291 -6.077 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.078 -5.875 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.979 -7.329 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.557 -6.568 4.699 1.00 0.00 H new ATOM 847 N ARG A 56 9.302 -4.263 0.655 1.00 0.00 N ATOM 848 CA ARG A 56 9.089 -3.378 -0.484 1.00 0.00 C ATOM 849 C ARG A 56 9.365 -4.105 -1.797 1.00 0.00 C ATOM 850 O ARG A 56 8.616 -3.967 -2.764 1.00 0.00 O ATOM 851 CB ARG A 56 9.988 -2.145 -0.373 1.00 0.00 C ATOM 852 CG ARG A 56 11.473 -2.469 -0.406 1.00 0.00 C ATOM 853 CD ARG A 56 12.299 -1.364 0.234 1.00 0.00 C ATOM 854 NE ARG A 56 12.247 -0.125 -0.538 1.00 0.00 N ATOM 855 CZ ARG A 56 12.989 0.942 -0.266 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.836 0.922 0.754 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.885 2.033 -1.015 1.00 0.00 N ATOM 0 H ARG A 56 10.042 -3.964 1.289 1.00 0.00 H new ATOM 0 HA ARG A 56 8.046 -3.062 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.756 -1.462 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.759 -1.622 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.653 -3.408 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.792 -2.612 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.934 -1.177 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.335 -1.692 0.325 1.00 0.00 H new ATOM 0 HE ARG A 56 11.605 -0.077 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.919 0.086 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.405 1.743 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.235 2.052 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.456 2.852 -0.805 1.00 0.00 H new ATOM 871 N LYS A 57 10.444 -4.879 -1.823 1.00 0.00 N ATOM 872 CA LYS A 57 10.819 -5.629 -3.016 1.00 0.00 C ATOM 873 C LYS A 57 9.787 -6.708 -3.327 1.00 0.00 C ATOM 874 O LYS A 57 9.189 -6.716 -4.403 1.00 0.00 O ATOM 875 CB LYS A 57 12.198 -6.266 -2.830 1.00 0.00 C ATOM 876 CG LYS A 57 13.349 -5.333 -3.163 1.00 0.00 C ATOM 877 CD LYS A 57 14.587 -6.104 -3.592 1.00 0.00 C ATOM 878 CE LYS A 57 15.444 -6.490 -2.397 1.00 0.00 C ATOM 879 NZ LYS A 57 16.677 -7.217 -2.811 1.00 0.00 N ATOM 0 H LYS A 57 11.075 -5.004 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 57 10.856 -4.934 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.299 -6.599 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.267 -7.153 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.048 -4.653 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.585 -4.720 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.289 -7.002 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.174 -5.497 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.720 -5.593 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.863 -7.116 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.235 -7.463 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.414 -8.086 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.244 -6.610 -3.436 1.00 0.00 H new ATOM 893 N PHE A 58 9.582 -7.616 -2.379 1.00 0.00 N ATOM 894 CA PHE A 58 8.621 -8.699 -2.552 1.00 0.00 C ATOM 895 C PHE A 58 7.298 -8.170 -3.098 1.00 0.00 C ATOM 896 O PHE A 58 6.788 -8.663 -4.104 1.00 0.00 O ATOM 897 CB PHE A 58 8.386 -9.418 -1.222 1.00 0.00 C ATOM 898 CG PHE A 58 7.232 -10.379 -1.256 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.260 -11.487 -2.088 1.00 0.00 C ATOM 900 CD2 PHE A 58 6.119 -10.174 -0.457 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.200 -12.373 -2.121 1.00 0.00 C ATOM 902 CE2 PHE A 58 5.056 -11.057 -0.486 1.00 0.00 C ATOM 903 CZ PHE A 58 5.096 -12.157 -1.320 1.00 0.00 C ATOM 0 H PHE A 58 10.069 -7.623 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 58 9.034 -9.406 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.291 -9.959 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.208 -8.676 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.120 -11.660 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.081 -9.315 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.235 -13.234 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.195 -10.887 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.266 -12.847 -1.346 1.00 0.00 H new ATOM 913 N ALA A 59 6.748 -7.164 -2.426 1.00 0.00 N ATOM 914 CA ALA A 59 5.485 -6.567 -2.844 1.00 0.00 C ATOM 915 C ALA A 59 5.604 -5.944 -4.231 1.00 0.00 C ATOM 916 O ALA A 59 4.773 -6.190 -5.105 1.00 0.00 O ATOM 917 CB ALA A 59 5.035 -5.524 -1.832 1.00 0.00 C ATOM 0 H ALA A 59 7.157 -6.745 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 59 4.736 -7.358 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.091 -5.086 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.901 -5.996 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.790 -4.742 -1.755 1.00 0.00 H new ATOM 923 N ARG A 60 6.642 -5.137 -4.425 1.00 0.00 N ATOM 924 CA ARG A 60 6.868 -4.478 -5.705 1.00 0.00 C ATOM 925 C ARG A 60 6.526 -5.410 -6.864 1.00 0.00 C ATOM 926 O ARG A 60 5.993 -4.977 -7.887 1.00 0.00 O ATOM 927 CB ARG A 60 8.324 -4.020 -5.817 1.00 0.00 C ATOM 928 CG ARG A 60 8.565 -2.620 -5.276 1.00 0.00 C ATOM 929 CD ARG A 60 10.041 -2.374 -5.007 1.00 0.00 C ATOM 930 NE ARG A 60 10.391 -0.961 -5.128 1.00 0.00 N ATOM 931 CZ ARG A 60 9.964 -0.024 -4.290 1.00 0.00 C ATOM 932 NH1 ARG A 60 9.175 -0.347 -3.274 1.00 0.00 N ATOM 933 NH2 ARG A 60 10.326 1.241 -4.466 1.00 0.00 N ATOM 0 H ARG A 60 7.340 -4.924 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 60 6.215 -3.607 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.960 -4.723 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.627 -4.053 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.197 -1.884 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.998 -2.482 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.290 -2.725 -4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.639 -2.957 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 60 10.997 -0.679 -5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.895 -1.318 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.849 0.375 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.933 1.494 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.997 1.960 -3.821 1.00 0.00 H new ATOM 947 N LEU A 61 6.837 -6.691 -6.698 1.00 0.00 N ATOM 948 CA LEU A 61 6.563 -7.685 -7.730 1.00 0.00 C ATOM 949 C LEU A 61 5.134 -7.554 -8.247 1.00 0.00 C ATOM 950 O LEU A 61 4.912 -7.287 -9.427 1.00 0.00 O ATOM 951 CB LEU A 61 6.793 -9.094 -7.182 1.00 0.00 C ATOM 952 CG LEU A 61 8.245 -9.471 -6.886 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.309 -10.548 -5.815 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.945 -9.935 -8.155 1.00 0.00 C ATOM 0 H LEU A 61 7.279 -7.066 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 61 7.247 -7.509 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.216 -9.204 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.391 -9.811 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 61 8.761 -8.586 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.350 -10.803 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.846 -10.179 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.777 -11.435 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.977 -10.199 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.428 -10.806 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.931 -9.132 -8.892 1.00 0.00 H new