USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ -143:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc=-0.00191 (180deg=-0.094) USER MOD Single : A 24 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 26 GLN : amide:sc= -0.662 K(o=-0.66,f=-3.6!) USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= 0.144 (180deg=-0.599) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -18:sc= 0.594 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.2 K(o=-3.2,f=-13!) USER MOD Single : A 64 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -7.81! C(o=-7.8!,f=-16!) USER MOD Single : A 85 LYS NZ :NH3+ -105:sc= 0.0606 (180deg=-1.17!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.9) USER MOD Single : A 92 SER OG : rot 86:sc= 0.513 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 109:sc= 0.945 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 21 -7.674 -5.458 -11.695 1.00 0.00 N ATOM 71 CA LYS A 21 -6.901 -4.558 -12.544 1.00 0.00 C ATOM 72 C LYS A 21 -5.941 -3.721 -11.705 1.00 0.00 C ATOM 73 O LYS A 21 -6.220 -3.414 -10.545 1.00 0.00 O ATOM 74 CB LYS A 21 -7.830 -3.646 -13.350 1.00 0.00 C ATOM 75 CG LYS A 21 -9.022 -3.125 -12.561 1.00 0.00 C ATOM 76 CD LYS A 21 -8.699 -1.815 -11.863 1.00 0.00 C ATOM 77 CE LYS A 21 -9.917 -1.253 -11.148 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.946 -0.762 -12.106 1.00 0.00 N ATOM 0 HA LYS A 21 -6.319 -5.163 -13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.256 -2.798 -13.723 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.194 -4.193 -14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.869 -2.982 -13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.323 -3.868 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.894 -1.972 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.338 -1.091 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.352 -2.024 -10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.610 -0.436 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.670 -0.222 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.496 -0.148 -12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.392 -1.572 -12.582 1.00 0.00 H new ATOM 92 N ARG A 22 -4.807 -3.358 -12.295 1.00 0.00 N ATOM 93 CA ARG A 22 -3.804 -2.562 -11.597 1.00 0.00 C ATOM 94 C ARG A 22 -3.954 -1.079 -11.918 1.00 0.00 C ATOM 95 O ARG A 22 -4.385 -0.711 -13.009 1.00 0.00 O ATOM 96 CB ARG A 22 -2.398 -3.034 -11.969 1.00 0.00 C ATOM 97 CG ARG A 22 -2.206 -4.535 -11.839 1.00 0.00 C ATOM 98 CD ARG A 22 -1.271 -5.072 -12.910 1.00 0.00 C ATOM 99 NE ARG A 22 -0.256 -5.964 -12.354 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.528 -7.136 -11.788 1.00 0.00 C ATOM 101 NH1 ARG A 22 -1.782 -7.561 -11.698 1.00 0.00 N ATOM 102 NH2 ARG A 22 0.456 -7.885 -11.309 1.00 0.00 N ATOM 0 H ARG A 22 -4.560 -3.602 -13.254 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.957 -2.698 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.184 -2.736 -12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.673 -2.527 -11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.803 -4.767 -10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.172 -5.034 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.851 -5.607 -13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.783 -4.239 -13.416 1.00 0.00 H new ATOM 0 HE ARG A 22 0.719 -5.670 -12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.542 -6.988 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.986 -8.461 -11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.421 -7.562 -11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.248 -8.784 -10.875 1.00 0.00 H new ATOM 116 N LEU A 23 -3.592 -0.235 -10.956 1.00 0.00 N ATOM 117 CA LEU A 23 -3.684 1.211 -11.134 1.00 0.00 C ATOM 118 C LEU A 23 -2.378 1.890 -10.736 1.00 0.00 C ATOM 119 O LEU A 23 -1.603 1.356 -9.941 1.00 0.00 O ATOM 120 CB LEU A 23 -4.837 1.786 -10.308 1.00 0.00 C ATOM 121 CG LEU A 23 -5.990 0.821 -10.039 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.840 1.312 -8.877 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.840 0.645 -11.288 1.00 0.00 C ATOM 0 H LEU A 23 -3.233 -0.527 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.874 1.405 -12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.442 2.130 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.230 2.662 -10.824 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.571 -0.148 -9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.656 0.611 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.224 1.384 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.250 2.293 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.657 -0.046 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.249 1.610 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.224 0.245 -12.094 1.00 0.00 H new ATOM 135 N ASN A 24 -2.146 3.075 -11.288 1.00 0.00 N ATOM 136 CA ASN A 24 -0.939 3.838 -10.989 1.00 0.00 C ATOM 137 C ASN A 24 -1.299 5.159 -10.319 1.00 0.00 C ATOM 138 O ASN A 24 -2.042 5.966 -10.877 1.00 0.00 O ATOM 139 CB ASN A 24 -0.143 4.100 -12.269 1.00 0.00 C ATOM 140 CG ASN A 24 0.866 3.004 -12.554 1.00 0.00 C ATOM 141 OD1 ASN A 24 0.539 1.985 -13.163 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.101 3.210 -12.113 1.00 0.00 N ATOM 0 H ASN A 24 -2.779 3.530 -11.946 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.323 3.254 -10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.830 4.186 -13.111 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.376 5.055 -12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.824 2.509 -12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.327 4.070 -11.613 1.00 0.00 H new ATOM 149 N ILE A 25 -0.779 5.373 -9.113 1.00 0.00 N ATOM 150 CA ILE A 25 -1.063 6.596 -8.373 1.00 0.00 C ATOM 151 C ILE A 25 0.216 7.263 -7.878 1.00 0.00 C ATOM 152 O ILE A 25 1.108 6.604 -7.343 1.00 0.00 O ATOM 153 CB ILE A 25 -1.986 6.314 -7.170 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.302 5.690 -7.643 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.253 7.594 -6.388 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.460 4.238 -7.244 1.00 0.00 C ATOM 0 H ILE A 25 -0.163 4.719 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.566 7.273 -9.064 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.485 5.607 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.134 6.263 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.363 5.769 -8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.906 7.375 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.310 8.000 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.734 8.324 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.414 3.861 -7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.648 3.652 -7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.431 4.154 -6.158 1.00 0.00 H new ATOM 168 N GLN A 26 0.288 8.579 -8.049 1.00 0.00 N ATOM 169 CA GLN A 26 1.445 9.351 -7.612 1.00 0.00 C ATOM 170 C GLN A 26 1.028 10.360 -6.548 1.00 0.00 C ATOM 171 O GLN A 26 0.148 11.189 -6.779 1.00 0.00 O ATOM 172 CB GLN A 26 2.087 10.073 -8.798 1.00 0.00 C ATOM 173 CG GLN A 26 2.153 9.233 -10.064 1.00 0.00 C ATOM 174 CD GLN A 26 1.273 9.777 -11.173 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.048 9.681 -11.113 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.898 10.354 -12.194 1.00 0.00 N ATOM 0 H GLN A 26 -0.445 9.135 -8.489 1.00 0.00 H new ATOM 0 HA GLN A 26 2.178 8.667 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.524 10.983 -9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.096 10.378 -8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.185 9.189 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.851 8.211 -9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.916 10.411 -12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.359 10.739 -12.970 1.00 0.00 H new ATOM 185 N LEU A 27 1.652 10.281 -5.378 1.00 0.00 N ATOM 186 CA LEU A 27 1.327 11.187 -4.282 1.00 0.00 C ATOM 187 C LEU A 27 2.467 12.145 -3.986 1.00 0.00 C ATOM 188 O LEU A 27 3.635 11.771 -4.021 1.00 0.00 O ATOM 189 CB LEU A 27 0.987 10.399 -3.018 1.00 0.00 C ATOM 190 CG LEU A 27 0.067 9.206 -3.236 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.086 8.409 -1.949 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.287 9.669 -3.746 1.00 0.00 C ATOM 0 H LEU A 27 2.383 9.602 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 27 0.461 11.770 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.914 10.047 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.519 11.074 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 27 0.513 8.556 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.747 7.560 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.891 8.048 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.511 9.047 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.934 8.805 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.741 10.339 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.159 10.196 -4.691 1.00 0.00 H new ATOM 204 N LYS A 28 2.109 13.384 -3.677 1.00 0.00 N ATOM 205 CA LYS A 28 3.088 14.410 -3.353 1.00 0.00 C ATOM 206 C LYS A 28 3.465 14.339 -1.879 1.00 0.00 C ATOM 207 O LYS A 28 2.625 14.542 -1.003 1.00 0.00 O ATOM 208 CB LYS A 28 2.531 15.797 -3.682 1.00 0.00 C ATOM 209 CG LYS A 28 3.595 16.879 -3.749 1.00 0.00 C ATOM 210 CD LYS A 28 4.730 16.483 -4.679 1.00 0.00 C ATOM 211 CE LYS A 28 5.279 17.681 -5.436 1.00 0.00 C ATOM 212 NZ LYS A 28 5.341 17.428 -6.902 1.00 0.00 N ATOM 0 H LYS A 28 1.141 13.703 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 28 3.981 14.235 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.009 15.752 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.793 16.071 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.147 17.811 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.989 17.066 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.530 16.020 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.375 15.735 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.651 18.551 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.276 17.919 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.194 17.874 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.374 16.403 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.498 17.830 -7.360 1.00 0.00 H new ATOM 226 N LYS A 29 4.733 14.041 -1.608 1.00 0.00 N ATOM 227 CA LYS A 29 5.216 13.933 -0.235 1.00 0.00 C ATOM 228 C LYS A 29 4.818 15.154 0.593 1.00 0.00 C ATOM 229 O LYS A 29 4.960 16.293 0.149 1.00 0.00 O ATOM 230 CB LYS A 29 6.737 13.768 -0.218 1.00 0.00 C ATOM 231 CG LYS A 29 7.294 13.428 1.155 1.00 0.00 C ATOM 232 CD LYS A 29 6.584 12.233 1.761 1.00 0.00 C ATOM 233 CE LYS A 29 7.213 11.814 3.080 1.00 0.00 C ATOM 234 NZ LYS A 29 7.510 10.355 3.116 1.00 0.00 N ATOM 0 H LYS A 29 5.443 13.870 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 29 4.753 13.053 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.017 12.983 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.199 14.690 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.360 13.217 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.189 14.289 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.533 12.476 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.616 11.398 1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.134 12.376 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.541 12.068 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.281 9.977 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.938 9.866 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.519 10.201 2.917 1.00 0.00 H new ATOM 284 N GLY A 33 2.525 12.685 6.512 1.00 0.00 N ATOM 285 CA GLY A 33 2.632 11.418 5.813 1.00 0.00 C ATOM 286 C GLY A 33 2.145 11.497 4.378 1.00 0.00 C ATOM 287 O GLY A 33 2.342 12.508 3.704 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.671 11.090 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.055 10.663 6.347 1.00 0.00 H new ATOM 291 N LEU A 34 1.511 10.426 3.912 1.00 0.00 N ATOM 292 CA LEU A 34 0.998 10.375 2.547 1.00 0.00 C ATOM 293 C LEU A 34 -0.527 10.390 2.532 1.00 0.00 C ATOM 294 O LEU A 34 -1.141 10.808 1.551 1.00 0.00 O ATOM 295 CB LEU A 34 1.517 9.129 1.834 1.00 0.00 C ATOM 296 CG LEU A 34 2.933 9.261 1.272 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.632 7.911 1.258 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.894 9.863 -0.125 1.00 0.00 C ATOM 0 H LEU A 34 1.340 9.582 4.459 1.00 0.00 H new ATOM 0 HA LEU A 34 1.352 11.261 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.493 8.291 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.838 8.884 1.018 1.00 0.00 H new ATOM 0 HG LEU A 34 3.501 9.930 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.638 8.026 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.691 7.521 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.069 7.216 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.909 9.951 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.310 9.219 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.435 10.851 -0.083 1.00 0.00 H new ATOM 310 N GLY A 35 -1.138 9.942 3.626 1.00 0.00 N ATOM 311 CA GLY A 35 -2.586 9.928 3.708 1.00 0.00 C ATOM 312 C GLY A 35 -3.181 8.548 3.526 1.00 0.00 C ATOM 313 O GLY A 35 -4.386 8.414 3.310 1.00 0.00 O ATOM 0 H GLY A 35 -0.657 9.590 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.892 10.324 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.993 10.595 2.948 1.00 0.00 H new ATOM 317 N PHE A 36 -2.349 7.518 3.610 1.00 0.00 N ATOM 318 CA PHE A 36 -2.829 6.154 3.448 1.00 0.00 C ATOM 319 C PHE A 36 -2.019 5.176 4.293 1.00 0.00 C ATOM 320 O PHE A 36 -0.790 5.232 4.323 1.00 0.00 O ATOM 321 CB PHE A 36 -2.783 5.748 1.970 1.00 0.00 C ATOM 322 CG PHE A 36 -1.429 5.283 1.501 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.302 6.060 1.714 1.00 0.00 C ATOM 324 CD2 PHE A 36 -1.288 4.068 0.849 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.942 5.634 1.286 1.00 0.00 C ATOM 326 CE2 PHE A 36 -0.047 3.637 0.419 1.00 0.00 C ATOM 327 CZ PHE A 36 1.069 4.421 0.638 1.00 0.00 C ATOM 0 H PHE A 36 -1.348 7.600 3.788 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.862 6.117 3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.507 4.951 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.094 6.597 1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.396 7.009 2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.157 3.451 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.813 6.249 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.050 2.688 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.039 4.086 0.303 1.00 0.00 H new ATOM 337 N SER A 37 -2.721 4.268 4.960 1.00 0.00 N ATOM 338 CA SER A 37 -2.076 3.260 5.787 1.00 0.00 C ATOM 339 C SER A 37 -2.144 1.913 5.083 1.00 0.00 C ATOM 340 O SER A 37 -3.186 1.537 4.548 1.00 0.00 O ATOM 341 CB SER A 37 -2.749 3.174 7.158 1.00 0.00 C ATOM 342 OG SER A 37 -1.795 2.958 8.183 1.00 0.00 O ATOM 0 H SER A 37 -3.739 4.210 4.943 1.00 0.00 H new ATOM 0 HA SER A 37 -1.033 3.539 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.297 4.095 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.478 2.363 7.159 1.00 0.00 H new ATOM 0 HG SER A 37 -2.251 2.909 9.049 1.00 0.00 H new ATOM 348 N ILE A 38 -1.028 1.195 5.063 1.00 0.00 N ATOM 349 CA ILE A 38 -0.984 -0.095 4.392 1.00 0.00 C ATOM 350 C ILE A 38 -0.831 -1.251 5.366 1.00 0.00 C ATOM 351 O ILE A 38 -0.064 -1.184 6.326 1.00 0.00 O ATOM 352 CB ILE A 38 0.166 -0.164 3.377 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.481 0.250 4.037 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.139 0.716 2.177 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.686 0.101 3.135 1.00 0.00 C ATOM 0 H ILE A 38 -0.151 1.481 5.499 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.940 -0.189 3.877 1.00 0.00 H new ATOM 0 HB ILE A 38 0.269 -1.192 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.405 1.289 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.633 -0.351 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.684 0.658 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.057 0.374 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.263 1.748 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.582 0.413 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.788 -0.941 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.557 0.724 2.250 1.00 0.00 H new ATOM 367 N THR A 39 -1.556 -2.321 5.081 1.00 0.00 N ATOM 368 CA THR A 39 -1.505 -3.528 5.896 1.00 0.00 C ATOM 369 C THR A 39 -0.631 -4.572 5.210 1.00 0.00 C ATOM 370 O THR A 39 -0.238 -4.398 4.056 1.00 0.00 O ATOM 371 CB THR A 39 -2.911 -4.087 6.133 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.850 -5.442 6.546 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.804 -4.019 4.911 1.00 0.00 C ATOM 0 H THR A 39 -2.192 -2.379 4.286 1.00 0.00 H new ATOM 0 HA THR A 39 -1.074 -3.277 6.865 1.00 0.00 H new ATOM 0 HB THR A 39 -3.342 -3.455 6.909 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.758 -5.780 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.783 -4.432 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.915 -2.981 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.357 -4.595 4.101 1.00 0.00 H new ATOM 381 N SER A 40 -0.320 -5.649 5.918 1.00 0.00 N ATOM 382 CA SER A 40 0.516 -6.702 5.355 1.00 0.00 C ATOM 383 C SER A 40 -0.052 -8.084 5.656 1.00 0.00 C ATOM 384 O SER A 40 -0.322 -8.420 6.809 1.00 0.00 O ATOM 385 CB SER A 40 1.939 -6.594 5.902 1.00 0.00 C ATOM 386 OG SER A 40 2.753 -7.651 5.421 1.00 0.00 O ATOM 0 H SER A 40 -0.630 -5.817 6.875 1.00 0.00 H new ATOM 0 HA SER A 40 0.533 -6.571 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.372 -5.637 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.916 -6.616 6.992 1.00 0.00 H new ATOM 0 HG SER A 40 3.658 -7.558 5.784 1.00 0.00 H new ATOM 392 N ARG A 41 -0.223 -8.885 4.608 1.00 0.00 N ATOM 393 CA ARG A 41 -0.751 -10.235 4.759 1.00 0.00 C ATOM 394 C ARG A 41 0.252 -11.122 5.491 1.00 0.00 C ATOM 395 O ARG A 41 -0.128 -12.048 6.207 1.00 0.00 O ATOM 396 CB ARG A 41 -1.079 -10.832 3.390 1.00 0.00 C ATOM 397 CG ARG A 41 -1.633 -12.246 3.457 1.00 0.00 C ATOM 398 CD ARG A 41 -0.561 -13.276 3.141 1.00 0.00 C ATOM 399 NE ARG A 41 -0.940 -14.616 3.583 1.00 0.00 N ATOM 400 CZ ARG A 41 -1.774 -15.410 2.914 1.00 0.00 C ATOM 401 NH1 ARG A 41 -2.319 -15.002 1.774 1.00 0.00 N ATOM 402 NH2 ARG A 41 -2.062 -16.614 3.385 1.00 0.00 N ATOM 0 H ARG A 41 -0.004 -8.622 3.647 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.666 -10.183 5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.804 -10.191 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.177 -10.833 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.038 -12.433 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.458 -12.349 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.375 -13.288 2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.373 -12.986 3.623 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.542 -14.964 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.100 -14.076 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.957 -15.614 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.645 -16.933 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.701 -17.223 2.873 1.00 0.00 H new ATOM 491 N SER A 48 8.278 -13.104 0.871 1.00 0.00 N ATOM 492 CA SER A 48 7.412 -12.373 -0.045 1.00 0.00 C ATOM 493 C SER A 48 6.000 -12.248 0.520 1.00 0.00 C ATOM 494 O SER A 48 5.237 -13.213 0.529 1.00 0.00 O ATOM 495 CB SER A 48 7.367 -13.068 -1.406 1.00 0.00 C ATOM 496 OG SER A 48 7.554 -14.466 -1.270 1.00 0.00 O ATOM 0 HA SER A 48 7.825 -11.372 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.409 -12.871 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.140 -12.656 -2.054 1.00 0.00 H new ATOM 0 HG SER A 48 7.956 -14.659 -0.397 1.00 0.00 H new ATOM 502 N ALA A 49 5.660 -11.051 0.984 1.00 0.00 N ATOM 503 CA ALA A 49 4.341 -10.795 1.546 1.00 0.00 C ATOM 504 C ALA A 49 3.681 -9.599 0.858 1.00 0.00 C ATOM 505 O ALA A 49 4.268 -8.521 0.779 1.00 0.00 O ATOM 506 CB ALA A 49 4.443 -10.560 3.047 1.00 0.00 C ATOM 0 H ALA A 49 6.281 -10.242 0.982 1.00 0.00 H new ATOM 0 HA ALA A 49 3.717 -11.672 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.450 -10.370 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.868 -11.442 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.084 -9.699 3.238 1.00 0.00 H new ATOM 512 N PRO A 50 2.451 -9.775 0.341 1.00 0.00 N ATOM 513 CA PRO A 50 1.724 -8.704 -0.349 1.00 0.00 C ATOM 514 C PRO A 50 1.217 -7.624 0.602 1.00 0.00 C ATOM 515 O PRO A 50 0.675 -7.923 1.669 1.00 0.00 O ATOM 516 CB PRO A 50 0.549 -9.435 -0.998 1.00 0.00 C ATOM 517 CG PRO A 50 0.319 -10.621 -0.127 1.00 0.00 C ATOM 518 CD PRO A 50 1.675 -11.030 0.379 1.00 0.00 C ATOM 0 HA PRO A 50 2.364 -8.175 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.336 -8.800 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.783 -9.733 -2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.348 -10.375 0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.150 -11.431 -0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.620 -11.437 1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.123 -11.798 -0.251 1.00 0.00 H new ATOM 526 N ILE A 51 1.393 -6.367 0.203 1.00 0.00 N ATOM 527 CA ILE A 51 0.952 -5.236 1.008 1.00 0.00 C ATOM 528 C ILE A 51 -0.343 -4.646 0.455 1.00 0.00 C ATOM 529 O ILE A 51 -0.516 -4.538 -0.759 1.00 0.00 O ATOM 530 CB ILE A 51 2.024 -4.129 1.058 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.380 -4.716 1.469 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.596 -3.013 2.005 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.627 -4.722 2.964 1.00 0.00 C ATOM 0 H ILE A 51 1.840 -6.108 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 51 0.781 -5.611 2.017 1.00 0.00 H new ATOM 0 HB ILE A 51 2.131 -3.700 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.449 -5.738 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.172 -4.146 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.365 -2.240 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.657 -2.581 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.460 -3.419 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.607 -5.153 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.593 -3.700 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.859 -5.317 3.457 1.00 0.00 H new ATOM 545 N TYR A 52 -1.247 -4.268 1.350 1.00 0.00 N ATOM 546 CA TYR A 52 -2.525 -3.689 0.951 1.00 0.00 C ATOM 547 C TYR A 52 -2.770 -2.372 1.676 1.00 0.00 C ATOM 548 O TYR A 52 -1.999 -1.981 2.549 1.00 0.00 O ATOM 549 CB TYR A 52 -3.666 -4.665 1.245 1.00 0.00 C ATOM 550 CG TYR A 52 -3.428 -6.059 0.712 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.489 -6.897 1.298 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.146 -6.538 -0.377 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.271 -8.174 0.814 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.934 -7.812 -0.867 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.996 -8.625 -0.269 1.00 0.00 C ATOM 556 OH TYR A 52 -2.781 -9.895 -0.755 1.00 0.00 O ATOM 0 H TYR A 52 -1.119 -4.352 2.358 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.490 -3.495 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.817 -4.719 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.587 -4.273 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.919 -6.546 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.882 -5.904 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.537 -8.814 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.501 -8.169 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.373 -10.057 -1.519 1.00 0.00 H new ATOM 566 N VAL A 53 -3.852 -1.690 1.310 1.00 0.00 N ATOM 567 CA VAL A 53 -4.199 -0.419 1.933 1.00 0.00 C ATOM 568 C VAL A 53 -5.178 -0.631 3.083 1.00 0.00 C ATOM 569 O VAL A 53 -6.382 -0.777 2.868 1.00 0.00 O ATOM 570 CB VAL A 53 -4.817 0.557 0.915 1.00 0.00 C ATOM 571 CG1 VAL A 53 -5.054 1.920 1.549 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.925 0.685 -0.311 1.00 0.00 C ATOM 0 H VAL A 53 -4.502 -1.997 0.586 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.275 0.014 2.317 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.781 0.156 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.491 2.593 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.735 1.815 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.106 2.329 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.378 1.379 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.946 1.060 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.811 -0.292 -0.782 1.00 0.00 H new ATOM 582 N LYS A 54 -4.651 -0.654 4.301 1.00 0.00 N ATOM 583 CA LYS A 54 -5.470 -0.855 5.489 1.00 0.00 C ATOM 584 C LYS A 54 -6.541 0.221 5.604 1.00 0.00 C ATOM 585 O LYS A 54 -7.639 -0.037 6.100 1.00 0.00 O ATOM 586 CB LYS A 54 -4.594 -0.855 6.744 1.00 0.00 C ATOM 587 CG LYS A 54 -5.351 -1.208 8.014 1.00 0.00 C ATOM 588 CD LYS A 54 -4.403 -1.533 9.156 1.00 0.00 C ATOM 589 CE LYS A 54 -4.888 -2.729 9.962 1.00 0.00 C ATOM 590 NZ LYS A 54 -3.765 -3.626 10.355 1.00 0.00 N ATOM 0 H LYS A 54 -3.656 -0.535 4.492 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.964 -1.822 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.778 -1.565 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.143 0.130 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.993 -0.375 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.001 -2.062 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.410 -1.740 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.309 -0.666 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.403 -2.379 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.614 -3.292 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.137 -4.428 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.289 -3.980 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.085 -3.096 10.936 1.00 0.00 H new ATOM 604 N ASN A 55 -6.222 1.430 5.148 1.00 0.00 N ATOM 605 CA ASN A 55 -7.175 2.538 5.212 1.00 0.00 C ATOM 606 C ASN A 55 -6.567 3.847 4.717 1.00 0.00 C ATOM 607 O ASN A 55 -5.356 4.055 4.791 1.00 0.00 O ATOM 608 CB ASN A 55 -7.684 2.722 6.643 1.00 0.00 C ATOM 609 CG ASN A 55 -6.561 2.719 7.663 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.715 1.825 7.669 1.00 0.00 O ATOM 611 ND2 ASN A 55 -6.549 3.722 8.533 1.00 0.00 N ATOM 0 H ASN A 55 -5.321 1.667 4.734 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.006 2.282 4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.231 3.662 6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.388 1.925 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.818 3.773 9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.270 4.442 8.491 1.00 0.00 H new ATOM 618 N ILE A 56 -7.432 4.732 4.228 1.00 0.00 N ATOM 619 CA ILE A 56 -7.011 6.037 3.734 1.00 0.00 C ATOM 620 C ILE A 56 -7.395 7.125 4.735 1.00 0.00 C ATOM 621 O ILE A 56 -8.536 7.184 5.191 1.00 0.00 O ATOM 622 CB ILE A 56 -7.644 6.352 2.362 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.306 5.249 1.357 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.172 7.706 1.851 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.835 5.180 0.999 1.00 0.00 C ATOM 0 H ILE A 56 -8.436 4.565 4.164 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.928 6.013 3.614 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.727 6.393 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.616 4.288 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.885 5.409 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.630 7.909 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.461 8.483 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.087 7.697 1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.672 4.375 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.523 6.127 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.250 4.989 1.899 1.00 0.00 H new ATOM 637 N LEU A 57 -6.432 7.968 5.090 1.00 0.00 N ATOM 638 CA LEU A 57 -6.671 9.034 6.057 1.00 0.00 C ATOM 639 C LEU A 57 -7.199 10.304 5.382 1.00 0.00 C ATOM 640 O LEU A 57 -6.679 10.729 4.351 1.00 0.00 O ATOM 641 CB LEU A 57 -5.388 9.327 6.828 1.00 0.00 C ATOM 642 CG LEU A 57 -4.606 8.079 7.243 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.390 8.456 8.072 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.505 7.119 8.010 1.00 0.00 C ATOM 0 H LEU A 57 -5.481 7.935 4.724 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.439 8.696 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.745 9.958 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.637 9.900 7.721 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.257 7.577 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.849 7.553 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.736 9.102 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.711 8.984 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.933 6.237 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.885 7.613 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.341 6.819 7.378 1.00 0.00 H new ATOM 656 N PRO A 58 -8.252 10.921 5.957 1.00 0.00 N ATOM 657 CA PRO A 58 -8.865 12.141 5.406 1.00 0.00 C ATOM 658 C PRO A 58 -7.913 13.336 5.374 1.00 0.00 C ATOM 659 O PRO A 58 -8.202 14.346 4.732 1.00 0.00 O ATOM 660 CB PRO A 58 -10.032 12.432 6.360 1.00 0.00 C ATOM 661 CG PRO A 58 -10.274 11.154 7.087 1.00 0.00 C ATOM 662 CD PRO A 58 -8.941 10.475 7.182 1.00 0.00 C ATOM 0 HA PRO A 58 -9.162 11.989 4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.783 13.237 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.920 12.746 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.688 11.341 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.992 10.531 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.400 10.773 8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.042 9.390 7.216 1.00 0.00 H new ATOM 670 N ARG A 59 -6.789 13.228 6.071 1.00 0.00 N ATOM 671 CA ARG A 59 -5.820 14.314 6.113 1.00 0.00 C ATOM 672 C ARG A 59 -4.469 13.869 5.565 1.00 0.00 C ATOM 673 O ARG A 59 -3.519 13.660 6.320 1.00 0.00 O ATOM 674 CB ARG A 59 -5.658 14.826 7.546 1.00 0.00 C ATOM 675 CG ARG A 59 -6.877 15.571 8.069 1.00 0.00 C ATOM 676 CD ARG A 59 -7.081 16.893 7.345 1.00 0.00 C ATOM 677 NE ARG A 59 -6.895 18.040 8.233 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.721 18.633 8.449 1.00 0.00 C ATOM 679 NH1 ARG A 59 -4.623 18.195 7.846 1.00 0.00 N ATOM 680 NH2 ARG A 59 -5.646 19.670 9.272 1.00 0.00 N ATOM 0 H ARG A 59 -6.527 12.404 6.612 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.195 15.121 5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.449 13.982 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.792 15.487 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.764 14.949 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.761 15.755 9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.381 16.962 6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.085 16.922 6.921 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.714 18.409 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.673 17.398 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.729 18.655 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.486 20.013 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.748 20.125 9.439 1.00 0.00 H new ATOM 694 N GLY A 60 -4.391 13.729 4.248 1.00 0.00 N ATOM 695 CA GLY A 60 -3.151 13.313 3.624 1.00 0.00 C ATOM 696 C GLY A 60 -3.097 13.637 2.143 1.00 0.00 C ATOM 697 O GLY A 60 -4.009 14.262 1.603 1.00 0.00 O ATOM 0 H GLY A 60 -5.163 13.896 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.316 13.799 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.024 12.239 3.761 1.00 0.00 H new ATOM 701 N ALA A 61 -2.014 13.219 1.492 1.00 0.00 N ATOM 702 CA ALA A 61 -1.826 13.473 0.067 1.00 0.00 C ATOM 703 C ALA A 61 -2.690 12.563 -0.800 1.00 0.00 C ATOM 704 O ALA A 61 -3.318 13.016 -1.757 1.00 0.00 O ATOM 705 CB ALA A 61 -0.358 13.321 -0.304 1.00 0.00 C ATOM 0 H ALA A 61 -1.252 12.702 1.930 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.143 14.498 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.230 13.513 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.237 14.034 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.028 12.308 -0.076 1.00 0.00 H new ATOM 711 N ALA A 62 -2.707 11.277 -0.475 1.00 0.00 N ATOM 712 CA ALA A 62 -3.483 10.311 -1.244 1.00 0.00 C ATOM 713 C ALA A 62 -4.954 10.702 -1.331 1.00 0.00 C ATOM 714 O ALA A 62 -5.513 10.798 -2.425 1.00 0.00 O ATOM 715 CB ALA A 62 -3.341 8.918 -0.647 1.00 0.00 C ATOM 0 H ALA A 62 -2.195 10.879 0.312 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.084 10.307 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.926 8.210 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.292 8.621 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.702 8.924 0.381 1.00 0.00 H new ATOM 721 N ILE A 63 -5.585 10.916 -0.182 1.00 0.00 N ATOM 722 CA ILE A 63 -6.993 11.278 -0.154 1.00 0.00 C ATOM 723 C ILE A 63 -7.260 12.604 -0.866 1.00 0.00 C ATOM 724 O ILE A 63 -8.280 12.750 -1.540 1.00 0.00 O ATOM 725 CB ILE A 63 -7.540 11.316 1.289 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.959 10.753 1.295 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.502 12.723 1.875 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.445 10.346 2.665 1.00 0.00 C ATOM 0 H ILE A 63 -5.145 10.845 0.736 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.525 10.499 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.901 10.701 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.639 11.500 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.000 9.888 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.896 12.705 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.473 13.083 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.110 13.389 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.460 9.956 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.789 9.575 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.438 11.213 3.326 1.00 0.00 H new ATOM 740 N GLN A 64 -6.349 13.565 -0.732 1.00 0.00 N ATOM 741 CA GLN A 64 -6.529 14.854 -1.392 1.00 0.00 C ATOM 742 C GLN A 64 -6.328 14.710 -2.897 1.00 0.00 C ATOM 743 O GLN A 64 -6.969 15.405 -3.687 1.00 0.00 O ATOM 744 CB GLN A 64 -5.569 15.902 -0.825 1.00 0.00 C ATOM 745 CG GLN A 64 -4.111 15.614 -1.129 1.00 0.00 C ATOM 746 CD GLN A 64 -3.204 16.782 -0.794 1.00 0.00 C ATOM 747 OE1 GLN A 64 -2.434 17.246 -1.635 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.289 17.263 0.441 1.00 0.00 N ATOM 0 H GLN A 64 -5.494 13.479 -0.183 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.548 15.192 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.830 16.880 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.702 15.959 0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.792 14.738 -0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.006 15.368 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.941 16.848 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.702 18.048 0.724 1.00 0.00 H new ATOM 757 N ASP A 65 -5.441 13.797 -3.288 1.00 0.00 N ATOM 758 CA ASP A 65 -5.165 13.558 -4.699 1.00 0.00 C ATOM 759 C ASP A 65 -6.343 12.853 -5.363 1.00 0.00 C ATOM 760 O ASP A 65 -6.635 13.078 -6.538 1.00 0.00 O ATOM 761 CB ASP A 65 -3.897 12.718 -4.859 1.00 0.00 C ATOM 762 CG ASP A 65 -3.103 13.100 -6.095 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.776 14.296 -6.244 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.809 12.203 -6.911 1.00 0.00 O ATOM 0 H ASP A 65 -4.903 13.213 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.014 14.522 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.270 12.839 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.167 11.664 -4.916 1.00 0.00 H new ATOM 769 N GLY A 66 -7.015 11.995 -4.600 1.00 0.00 N ATOM 770 CA GLY A 66 -8.151 11.265 -5.128 1.00 0.00 C ATOM 771 C GLY A 66 -7.758 10.326 -6.251 1.00 0.00 C ATOM 772 O GLY A 66 -8.227 10.468 -7.381 1.00 0.00 O ATOM 0 H GLY A 66 -6.792 11.793 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.618 10.694 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.897 11.971 -5.492 1.00 0.00 H new ATOM 776 N ARG A 67 -6.891 9.368 -5.941 1.00 0.00 N ATOM 777 CA ARG A 67 -6.431 8.407 -6.935 1.00 0.00 C ATOM 778 C ARG A 67 -6.337 7.003 -6.345 1.00 0.00 C ATOM 779 O ARG A 67 -6.808 6.036 -6.942 1.00 0.00 O ATOM 780 CB ARG A 67 -5.071 8.833 -7.489 1.00 0.00 C ATOM 781 CG ARG A 67 -5.078 10.211 -8.128 1.00 0.00 C ATOM 782 CD ARG A 67 -3.938 10.373 -9.120 1.00 0.00 C ATOM 783 NE ARG A 67 -4.074 11.588 -9.919 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.211 11.956 -10.864 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.148 11.207 -11.131 1.00 0.00 N ATOM 786 NH2 ARG A 67 -3.413 13.077 -11.545 1.00 0.00 N ATOM 0 H ARG A 67 -6.494 9.237 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.160 8.386 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.339 8.820 -6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.744 8.101 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.029 10.372 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.997 10.973 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.990 10.398 -8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.907 9.507 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.878 12.191 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.989 10.344 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.491 11.494 -11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.229 13.656 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.753 13.360 -12.269 1.00 0.00 H new ATOM 800 N LEU A 68 -5.723 6.900 -5.170 1.00 0.00 N ATOM 801 CA LEU A 68 -5.566 5.615 -4.502 1.00 0.00 C ATOM 802 C LEU A 68 -6.443 5.540 -3.253 1.00 0.00 C ATOM 803 O LEU A 68 -6.313 6.356 -2.340 1.00 0.00 O ATOM 804 CB LEU A 68 -4.086 5.380 -4.156 1.00 0.00 C ATOM 805 CG LEU A 68 -3.786 4.970 -2.713 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.371 3.598 -2.412 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.286 4.977 -2.462 1.00 0.00 C ATOM 0 H LEU A 68 -5.327 7.691 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.892 4.826 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.698 4.607 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.534 6.294 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.253 5.694 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.147 3.325 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.451 3.624 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.935 2.861 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.088 4.683 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.801 4.274 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.893 5.979 -2.636 1.00 0.00 H new ATOM 819 N LYS A 69 -7.336 4.557 -3.224 1.00 0.00 N ATOM 820 CA LYS A 69 -8.234 4.371 -2.095 1.00 0.00 C ATOM 821 C LYS A 69 -7.839 3.146 -1.279 1.00 0.00 C ATOM 822 O LYS A 69 -6.784 2.551 -1.499 1.00 0.00 O ATOM 823 CB LYS A 69 -9.677 4.224 -2.584 1.00 0.00 C ATOM 824 CG LYS A 69 -10.450 5.529 -2.607 1.00 0.00 C ATOM 825 CD LYS A 69 -10.341 6.270 -1.285 1.00 0.00 C ATOM 826 CE LYS A 69 -11.631 6.999 -0.946 1.00 0.00 C ATOM 827 NZ LYS A 69 -11.533 7.728 0.348 1.00 0.00 N ATOM 0 H LYS A 69 -7.456 3.875 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.159 5.251 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.669 3.799 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.198 3.515 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.073 6.161 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.499 5.327 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.101 5.564 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.520 6.985 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.870 7.704 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.451 6.283 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.433 8.212 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.330 7.053 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.767 8.430 0.294 1.00 0.00 H new ATOM 841 N ALA A 70 -8.699 2.773 -0.336 1.00 0.00 N ATOM 842 CA ALA A 70 -8.445 1.616 0.514 1.00 0.00 C ATOM 843 C ALA A 70 -8.827 0.320 -0.195 1.00 0.00 C ATOM 844 O ALA A 70 -9.547 0.338 -1.193 1.00 0.00 O ATOM 845 CB ALA A 70 -9.206 1.747 1.824 1.00 0.00 C ATOM 0 H ALA A 70 -9.577 3.255 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.377 1.581 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.007 0.876 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.882 2.649 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.275 1.810 1.619 1.00 0.00 H new ATOM 851 N GLY A 71 -8.340 -0.801 0.326 1.00 0.00 N ATOM 852 CA GLY A 71 -8.639 -2.088 -0.272 1.00 0.00 C ATOM 853 C GLY A 71 -7.779 -2.385 -1.487 1.00 0.00 C ATOM 854 O GLY A 71 -8.053 -3.325 -2.232 1.00 0.00 O ATOM 0 H GLY A 71 -7.743 -0.841 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.493 -2.872 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.690 -2.114 -0.561 1.00 0.00 H new ATOM 858 N ASP A 72 -6.737 -1.583 -1.688 1.00 0.00 N ATOM 859 CA ASP A 72 -5.838 -1.767 -2.820 1.00 0.00 C ATOM 860 C ASP A 72 -4.606 -2.568 -2.407 1.00 0.00 C ATOM 861 O ASP A 72 -4.263 -2.632 -1.227 1.00 0.00 O ATOM 862 CB ASP A 72 -5.419 -0.409 -3.388 1.00 0.00 C ATOM 863 CG ASP A 72 -6.007 -0.149 -4.760 1.00 0.00 C ATOM 864 OD1 ASP A 72 -6.307 -1.130 -5.474 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.169 1.035 -5.121 1.00 0.00 O ATOM 0 H ASP A 72 -6.496 -0.800 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.368 -2.325 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.734 0.380 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.332 -0.363 -3.447 1.00 0.00 H new ATOM 870 N ARG A 73 -3.945 -3.177 -3.386 1.00 0.00 N ATOM 871 CA ARG A 73 -2.751 -3.975 -3.121 1.00 0.00 C ATOM 872 C ARG A 73 -1.520 -3.350 -3.770 1.00 0.00 C ATOM 873 O ARG A 73 -1.476 -3.157 -4.986 1.00 0.00 O ATOM 874 CB ARG A 73 -2.943 -5.403 -3.635 1.00 0.00 C ATOM 875 CG ARG A 73 -2.120 -6.437 -2.881 1.00 0.00 C ATOM 876 CD ARG A 73 -0.723 -6.578 -3.466 1.00 0.00 C ATOM 877 NE ARG A 73 -0.483 -7.921 -3.991 1.00 0.00 N ATOM 878 CZ ARG A 73 0.719 -8.380 -4.334 1.00 0.00 C ATOM 879 NH1 ARG A 73 1.792 -7.607 -4.211 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.849 -9.614 -4.803 1.00 0.00 N ATOM 0 H ARG A 73 -4.214 -3.134 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.595 -4.001 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.998 -5.668 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.677 -5.439 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.048 -6.150 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.628 -7.401 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.588 -5.847 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.016 -6.351 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.284 -8.543 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.698 -6.657 -3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.710 -7.964 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.028 -10.211 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.770 -9.965 -5.066 1.00 0.00 H new ATOM 894 N LEU A 74 -0.521 -3.038 -2.949 1.00 0.00 N ATOM 895 CA LEU A 74 0.714 -2.436 -3.437 1.00 0.00 C ATOM 896 C LEU A 74 1.526 -3.437 -4.249 1.00 0.00 C ATOM 897 O LEU A 74 2.032 -4.424 -3.715 1.00 0.00 O ATOM 898 CB LEU A 74 1.549 -1.920 -2.265 1.00 0.00 C ATOM 899 CG LEU A 74 1.237 -0.485 -1.843 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.355 -0.472 -0.604 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.522 0.292 -1.597 1.00 0.00 C ATOM 0 H LEU A 74 -0.544 -3.193 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 74 0.449 -1.601 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.395 -2.578 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.604 -1.985 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 74 0.694 0.001 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.144 0.559 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.581 -0.989 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.869 -0.977 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.279 1.311 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.094 -0.192 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.115 0.314 -2.512 1.00 0.00 H new ATOM 913 N ILE A 75 1.647 -3.170 -5.541 1.00 0.00 N ATOM 914 CA ILE A 75 2.399 -4.036 -6.436 1.00 0.00 C ATOM 915 C ILE A 75 3.793 -3.476 -6.695 1.00 0.00 C ATOM 916 O ILE A 75 4.730 -4.223 -6.974 1.00 0.00 O ATOM 917 CB ILE A 75 1.668 -4.216 -7.778 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.292 -4.850 -7.536 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.502 -5.062 -8.734 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.262 -5.593 -8.732 1.00 0.00 C ATOM 0 H ILE A 75 1.232 -2.356 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 75 2.488 -5.006 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 75 1.524 -3.239 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.364 -5.539 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.411 -4.068 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.968 -5.178 -9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.458 -4.570 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.677 -6.043 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.236 -6.012 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.368 -4.905 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.419 -6.398 -9.007 1.00 0.00 H new ATOM 932 N GLU A 76 3.925 -2.154 -6.605 1.00 0.00 N ATOM 933 CA GLU A 76 5.211 -1.506 -6.839 1.00 0.00 C ATOM 934 C GLU A 76 5.251 -0.106 -6.238 1.00 0.00 C ATOM 935 O GLU A 76 4.271 0.638 -6.296 1.00 0.00 O ATOM 936 CB GLU A 76 5.500 -1.432 -8.340 1.00 0.00 C ATOM 937 CG GLU A 76 6.198 -2.664 -8.890 1.00 0.00 C ATOM 938 CD GLU A 76 6.783 -2.435 -10.270 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.001 -2.359 -11.241 1.00 0.00 O ATOM 940 OE2 GLU A 76 8.023 -2.331 -10.379 1.00 0.00 O ATOM 0 H GLU A 76 3.163 -1.516 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 76 5.977 -2.107 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.561 -1.288 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.118 -0.556 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.994 -2.962 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.489 -3.490 -8.933 1.00 0.00 H new ATOM 947 N VAL A 77 6.396 0.247 -5.660 1.00 0.00 N ATOM 948 CA VAL A 77 6.582 1.554 -5.047 1.00 0.00 C ATOM 949 C VAL A 77 7.823 2.250 -5.605 1.00 0.00 C ATOM 950 O VAL A 77 8.919 1.688 -5.587 1.00 0.00 O ATOM 951 CB VAL A 77 6.712 1.429 -3.516 1.00 0.00 C ATOM 952 CG1 VAL A 77 8.059 0.834 -3.125 1.00 0.00 C ATOM 953 CG2 VAL A 77 6.498 2.778 -2.846 1.00 0.00 C ATOM 0 H VAL A 77 7.213 -0.361 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 77 5.703 2.153 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 77 5.935 0.749 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.122 0.758 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.160 -0.158 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.860 1.476 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.594 2.667 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.245 3.486 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.501 3.149 -3.085 1.00 0.00 H new ATOM 963 N ASN A 78 7.646 3.472 -6.101 1.00 0.00 N ATOM 964 CA ASN A 78 8.756 4.238 -6.662 1.00 0.00 C ATOM 965 C ASN A 78 9.525 3.416 -7.693 1.00 0.00 C ATOM 966 O ASN A 78 10.728 3.602 -7.880 1.00 0.00 O ATOM 967 CB ASN A 78 9.700 4.694 -5.548 1.00 0.00 C ATOM 968 CG ASN A 78 9.019 5.619 -4.558 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.261 5.176 -3.696 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.286 6.915 -4.681 1.00 0.00 N ATOM 0 H ASN A 78 6.747 3.952 -6.126 1.00 0.00 H new ATOM 0 HA ASN A 78 8.343 5.114 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.084 3.821 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.557 5.204 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.856 7.587 -4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.921 7.238 -5.411 1.00 0.00 H new ATOM 977 N GLY A 79 8.821 2.509 -8.360 1.00 0.00 N ATOM 978 CA GLY A 79 9.448 1.672 -9.366 1.00 0.00 C ATOM 979 C GLY A 79 10.132 0.452 -8.775 1.00 0.00 C ATOM 980 O GLY A 79 10.979 -0.163 -9.422 1.00 0.00 O ATOM 0 H GLY A 79 7.825 2.338 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.694 1.348 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.180 2.262 -9.917 1.00 0.00 H new ATOM 984 N VAL A 80 9.763 0.096 -7.548 1.00 0.00 N ATOM 985 CA VAL A 80 10.350 -1.060 -6.883 1.00 0.00 C ATOM 986 C VAL A 80 9.350 -2.208 -6.797 1.00 0.00 C ATOM 987 O VAL A 80 8.158 -1.991 -6.580 1.00 0.00 O ATOM 988 CB VAL A 80 10.835 -0.710 -5.460 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.281 -1.964 -4.714 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.960 0.309 -5.516 1.00 0.00 C ATOM 0 H VAL A 80 9.062 0.591 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 80 11.206 -1.367 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 80 10.000 -0.271 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.618 -1.692 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.445 -2.659 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.099 -2.438 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.289 0.544 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.795 -0.102 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.604 1.218 -6.002 1.00 0.00 H new ATOM 1000 N ASP A 81 9.849 -3.428 -6.956 1.00 0.00 N ATOM 1001 CA ASP A 81 9.004 -4.612 -6.885 1.00 0.00 C ATOM 1002 C ASP A 81 8.703 -4.963 -5.434 1.00 0.00 C ATOM 1003 O ASP A 81 9.586 -5.390 -4.690 1.00 0.00 O ATOM 1004 CB ASP A 81 9.684 -5.793 -7.579 1.00 0.00 C ATOM 1005 CG ASP A 81 9.724 -5.631 -9.086 1.00 0.00 C ATOM 1006 OD1 ASP A 81 10.045 -4.519 -9.556 1.00 0.00 O ATOM 1007 OD2 ASP A 81 9.434 -6.617 -9.797 1.00 0.00 O ATOM 0 H ASP A 81 10.834 -3.622 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 81 8.065 -4.397 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.701 -5.898 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.154 -6.712 -7.329 1.00 0.00 H new ATOM 1012 N LEU A 82 7.450 -4.778 -5.034 1.00 0.00 N ATOM 1013 CA LEU A 82 7.033 -5.075 -3.671 1.00 0.00 C ATOM 1014 C LEU A 82 6.545 -6.515 -3.548 1.00 0.00 C ATOM 1015 O LEU A 82 5.754 -6.840 -2.663 1.00 0.00 O ATOM 1016 CB LEU A 82 5.928 -4.112 -3.231 1.00 0.00 C ATOM 1017 CG LEU A 82 6.283 -2.629 -3.343 1.00 0.00 C ATOM 1018 CD1 LEU A 82 5.028 -1.775 -3.269 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.268 -2.231 -2.253 1.00 0.00 C ATOM 0 H LEU A 82 6.706 -4.424 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 82 7.898 -4.948 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.039 -4.304 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.667 -4.331 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 82 6.757 -2.460 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.299 -0.722 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.358 -2.041 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.526 -1.948 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.509 -1.172 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.822 -2.415 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.179 -2.821 -2.353 1.00 0.00 H new ATOM 1031 N ALA A 83 7.027 -7.377 -4.439 1.00 0.00 N ATOM 1032 CA ALA A 83 6.641 -8.782 -4.425 1.00 0.00 C ATOM 1033 C ALA A 83 7.722 -9.637 -3.776 1.00 0.00 C ATOM 1034 O ALA A 83 7.928 -10.792 -4.153 1.00 0.00 O ATOM 1035 CB ALA A 83 6.356 -9.267 -5.837 1.00 0.00 C ATOM 0 H ALA A 83 7.684 -7.127 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 83 5.731 -8.879 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.069 -10.318 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.544 -8.680 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.250 -9.151 -6.449 1.00 0.00 H new ATOM 1041 N GLY A 84 8.411 -9.060 -2.797 1.00 0.00 N ATOM 1042 CA GLY A 84 9.466 -9.774 -2.107 1.00 0.00 C ATOM 1043 C GLY A 84 10.234 -8.877 -1.157 1.00 0.00 C ATOM 1044 O GLY A 84 11.460 -8.942 -1.084 1.00 0.00 O ATOM 0 H GLY A 84 8.256 -8.107 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.036 -10.607 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.153 -10.200 -2.838 1.00 0.00 H new ATOM 1048 N LYS A 85 9.507 -8.032 -0.431 1.00 0.00 N ATOM 1049 CA LYS A 85 10.124 -7.113 0.515 1.00 0.00 C ATOM 1050 C LYS A 85 9.559 -7.323 1.927 1.00 0.00 C ATOM 1051 O LYS A 85 9.850 -8.335 2.567 1.00 0.00 O ATOM 1052 CB LYS A 85 9.927 -5.667 0.041 1.00 0.00 C ATOM 1053 CG LYS A 85 10.227 -5.463 -1.436 1.00 0.00 C ATOM 1054 CD LYS A 85 11.563 -4.773 -1.650 1.00 0.00 C ATOM 1055 CE LYS A 85 11.607 -3.412 -0.975 1.00 0.00 C ATOM 1056 NZ LYS A 85 12.806 -3.260 -0.107 1.00 0.00 N ATOM 0 H LYS A 85 8.490 -7.966 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 85 11.194 -7.316 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.898 -5.366 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.570 -5.011 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.231 -6.428 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.434 -4.868 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.363 -5.400 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.745 -4.656 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.608 -2.630 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.706 -3.274 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.524 -3.338 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.494 -4.006 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.239 -2.329 -0.273 1.00 0.00 H new ATOM 1070 N SER A 86 8.755 -6.376 2.414 1.00 0.00 N ATOM 1071 CA SER A 86 8.164 -6.479 3.745 1.00 0.00 C ATOM 1072 C SER A 86 7.343 -5.234 4.058 1.00 0.00 C ATOM 1073 O SER A 86 7.414 -4.238 3.339 1.00 0.00 O ATOM 1074 CB SER A 86 9.254 -6.665 4.804 1.00 0.00 C ATOM 1075 OG SER A 86 8.867 -7.626 5.771 1.00 0.00 O ATOM 0 H SER A 86 8.500 -5.530 1.905 1.00 0.00 H new ATOM 0 HA SER A 86 7.508 -7.349 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.181 -6.980 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.456 -5.712 5.294 1.00 0.00 H new ATOM 0 HG SER A 86 9.581 -7.728 6.435 1.00 0.00 H new ATOM 1081 N GLN A 87 6.570 -5.289 5.136 1.00 0.00 N ATOM 1082 CA GLN A 87 5.747 -4.155 5.537 1.00 0.00 C ATOM 1083 C GLN A 87 6.629 -3.014 6.007 1.00 0.00 C ATOM 1084 O GLN A 87 6.553 -1.900 5.493 1.00 0.00 O ATOM 1085 CB GLN A 87 4.777 -4.559 6.647 1.00 0.00 C ATOM 1086 CG GLN A 87 3.876 -3.425 7.109 1.00 0.00 C ATOM 1087 CD GLN A 87 2.580 -3.919 7.721 1.00 0.00 C ATOM 1088 OE1 GLN A 87 2.558 -4.926 8.426 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.491 -3.210 7.449 1.00 0.00 N ATOM 0 H GLN A 87 6.496 -6.103 5.746 1.00 0.00 H new ATOM 0 HA GLN A 87 5.167 -3.826 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.158 -5.384 6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.347 -4.930 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.410 -2.817 7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.649 -2.778 6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.557 -2.381 6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.589 -3.495 7.830 1.00 0.00 H new ATOM 1098 N GLU A 88 7.487 -3.312 6.970 1.00 0.00 N ATOM 1099 CA GLU A 88 8.410 -2.317 7.491 1.00 0.00 C ATOM 1100 C GLU A 88 9.383 -1.910 6.398 1.00 0.00 C ATOM 1101 O GLU A 88 9.845 -0.771 6.353 1.00 0.00 O ATOM 1102 CB GLU A 88 9.166 -2.863 8.703 1.00 0.00 C ATOM 1103 CG GLU A 88 9.777 -4.235 8.471 1.00 0.00 C ATOM 1104 CD GLU A 88 11.292 -4.220 8.539 1.00 0.00 C ATOM 1105 OE1 GLU A 88 11.845 -3.374 9.273 1.00 0.00 O ATOM 1106 OE2 GLU A 88 11.927 -5.053 7.858 1.00 0.00 O ATOM 0 H GLU A 88 7.563 -4.231 7.405 1.00 0.00 H new ATOM 0 HA GLU A 88 7.845 -1.443 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.957 -2.163 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.484 -2.917 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.391 -4.931 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.465 -4.607 7.495 1.00 0.00 H new ATOM 1113 N GLU A 89 9.672 -2.851 5.501 1.00 0.00 N ATOM 1114 CA GLU A 89 10.569 -2.585 4.389 1.00 0.00 C ATOM 1115 C GLU A 89 9.898 -1.627 3.416 1.00 0.00 C ATOM 1116 O GLU A 89 10.467 -0.604 3.040 1.00 0.00 O ATOM 1117 CB GLU A 89 10.942 -3.887 3.678 1.00 0.00 C ATOM 1118 CG GLU A 89 11.982 -4.709 4.420 1.00 0.00 C ATOM 1119 CD GLU A 89 13.374 -4.544 3.844 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.488 -4.322 2.620 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.352 -4.637 4.617 1.00 0.00 O ATOM 0 H GLU A 89 9.297 -3.799 5.526 1.00 0.00 H new ATOM 0 HA GLU A 89 11.484 -2.131 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.043 -4.489 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.319 -3.652 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.990 -4.416 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.701 -5.761 4.385 1.00 0.00 H new ATOM 1128 N VAL A 90 8.671 -1.967 3.032 1.00 0.00 N ATOM 1129 CA VAL A 90 7.894 -1.138 2.118 1.00 0.00 C ATOM 1130 C VAL A 90 7.693 0.254 2.707 1.00 0.00 C ATOM 1131 O VAL A 90 7.963 1.267 2.054 1.00 0.00 O ATOM 1132 CB VAL A 90 6.520 -1.783 1.818 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.606 -0.808 1.084 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.697 -3.059 1.009 1.00 0.00 C ATOM 0 H VAL A 90 8.193 -2.813 3.341 1.00 0.00 H new ATOM 0 HA VAL A 90 8.449 -1.055 1.184 1.00 0.00 H new ATOM 0 HB VAL A 90 6.050 -2.035 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.647 -1.287 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.449 0.077 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.068 -0.516 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.721 -3.500 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.193 -2.826 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.305 -3.766 1.573 1.00 0.00 H new ATOM 1144 N VAL A 91 7.235 0.297 3.951 1.00 0.00 N ATOM 1145 CA VAL A 91 7.015 1.558 4.638 1.00 0.00 C ATOM 1146 C VAL A 91 8.327 2.320 4.767 1.00 0.00 C ATOM 1147 O VAL A 91 8.351 3.548 4.742 1.00 0.00 O ATOM 1148 CB VAL A 91 6.406 1.345 6.037 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.013 2.678 6.656 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.207 0.411 5.963 1.00 0.00 C ATOM 0 H VAL A 91 7.009 -0.530 4.504 1.00 0.00 H new ATOM 0 HA VAL A 91 6.308 2.137 4.043 1.00 0.00 H new ATOM 0 HB VAL A 91 7.160 0.881 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.585 2.508 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.896 3.311 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.277 3.171 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.791 0.273 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.449 0.843 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.521 -0.554 5.565 1.00 0.00 H new ATOM 1160 N SER A 92 9.420 1.575 4.901 1.00 0.00 N ATOM 1161 CA SER A 92 10.744 2.170 5.026 1.00 0.00 C ATOM 1162 C SER A 92 11.109 2.949 3.766 1.00 0.00 C ATOM 1163 O SER A 92 11.720 4.013 3.839 1.00 0.00 O ATOM 1164 CB SER A 92 11.792 1.089 5.297 1.00 0.00 C ATOM 1165 OG SER A 92 12.027 0.942 6.686 1.00 0.00 O ATOM 0 H SER A 92 9.413 0.555 4.926 1.00 0.00 H new ATOM 0 HA SER A 92 10.726 2.863 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.456 0.140 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.723 1.347 4.793 1.00 0.00 H new ATOM 0 HG SER A 92 11.375 0.315 7.064 1.00 0.00 H new ATOM 1171 N LEU A 93 10.725 2.413 2.610 1.00 0.00 N ATOM 1172 CA LEU A 93 11.014 3.073 1.339 1.00 0.00 C ATOM 1173 C LEU A 93 10.251 4.382 1.242 1.00 0.00 C ATOM 1174 O LEU A 93 10.832 5.436 0.976 1.00 0.00 O ATOM 1175 CB LEU A 93 10.647 2.182 0.151 1.00 0.00 C ATOM 1176 CG LEU A 93 10.859 0.690 0.368 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.368 -0.100 -0.833 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.326 0.392 0.644 1.00 0.00 C ATOM 0 H LEU A 93 10.218 1.532 2.527 1.00 0.00 H new ATOM 0 HA LEU A 93 12.086 3.269 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.600 2.351 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.235 2.494 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 93 10.279 0.384 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.528 -1.164 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.305 0.087 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.919 0.209 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.457 -0.679 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.929 0.714 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.644 0.927 1.539 1.00 0.00 H new ATOM 1190 N LEU A 94 8.945 4.308 1.462 1.00 0.00 N ATOM 1191 CA LEU A 94 8.100 5.495 1.402 1.00 0.00 C ATOM 1192 C LEU A 94 8.433 6.450 2.547 1.00 0.00 C ATOM 1193 O LEU A 94 8.274 7.664 2.422 1.00 0.00 O ATOM 1194 CB LEU A 94 6.619 5.105 1.437 1.00 0.00 C ATOM 1195 CG LEU A 94 6.065 4.740 2.812 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.658 5.994 3.569 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.887 3.788 2.673 1.00 0.00 C ATOM 0 H LEU A 94 8.449 3.444 1.682 1.00 0.00 H new ATOM 0 HA LEU A 94 8.296 6.008 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.034 5.934 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.469 4.258 0.768 1.00 0.00 H new ATOM 0 HG LEU A 94 6.847 4.236 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.265 5.717 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.527 6.640 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.890 6.525 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.503 3.537 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.100 4.265 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.212 2.878 2.169 1.00 0.00 H new ATOM 1209 N ARG A 95 8.906 5.896 3.658 1.00 0.00 N ATOM 1210 CA ARG A 95 9.274 6.706 4.815 1.00 0.00 C ATOM 1211 C ARG A 95 10.555 7.485 4.535 1.00 0.00 C ATOM 1212 O ARG A 95 10.752 8.584 5.054 1.00 0.00 O ATOM 1213 CB ARG A 95 9.461 5.831 6.054 1.00 0.00 C ATOM 1214 CG ARG A 95 8.221 5.756 6.929 1.00 0.00 C ATOM 1215 CD ARG A 95 8.193 4.475 7.742 1.00 0.00 C ATOM 1216 NE ARG A 95 9.175 4.490 8.825 1.00 0.00 N ATOM 1217 CZ ARG A 95 9.121 3.689 9.887 1.00 0.00 C ATOM 1218 NH1 ARG A 95 8.136 2.808 10.015 1.00 0.00 N ATOM 1219 NH2 ARG A 95 10.055 3.770 10.824 1.00 0.00 N ATOM 0 H ARG A 95 9.044 4.893 3.782 1.00 0.00 H new ATOM 0 HA ARG A 95 8.464 7.410 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.738 4.824 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.291 6.221 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.195 6.615 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.329 5.812 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.196 4.332 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.389 3.626 7.087 1.00 0.00 H new ATOM 0 HE ARG A 95 9.947 5.153 8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.415 2.742 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.101 2.197 10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.814 4.445 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.015 3.157 11.638 1.00 0.00 H new ATOM 1233 N SER A 96 11.425 6.906 3.711 1.00 0.00 N ATOM 1234 CA SER A 96 12.689 7.543 3.362 1.00 0.00 C ATOM 1235 C SER A 96 12.449 8.785 2.515 1.00 0.00 C ATOM 1236 O SER A 96 13.212 9.751 2.578 1.00 0.00 O ATOM 1237 CB SER A 96 13.589 6.562 2.609 1.00 0.00 C ATOM 1238 OG SER A 96 14.954 6.920 2.739 1.00 0.00 O ATOM 0 H SER A 96 11.276 5.997 3.273 1.00 0.00 H new ATOM 0 HA SER A 96 13.186 7.842 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.436 5.554 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.313 6.546 1.555 1.00 0.00 H new ATOM 0 HG SER A 96 15.509 6.277 2.250 1.00 0.00 H new ATOM 1244 N THR A 97 11.380 8.758 1.726 1.00 0.00 N ATOM 1245 CA THR A 97 11.031 9.884 0.869 1.00 0.00 C ATOM 1246 C THR A 97 10.957 11.175 1.678 1.00 0.00 C ATOM 1247 O THR A 97 10.425 11.195 2.787 1.00 0.00 O ATOM 1248 CB THR A 97 9.692 9.627 0.173 1.00 0.00 C ATOM 1249 OG1 THR A 97 9.289 8.279 0.341 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.718 9.905 -1.312 1.00 0.00 C ATOM 0 H THR A 97 10.740 7.967 1.663 1.00 0.00 H new ATOM 0 HA THR A 97 11.809 9.991 0.113 1.00 0.00 H new ATOM 0 HB THR A 97 8.993 10.317 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.528 8.239 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.736 9.701 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.977 10.950 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.460 9.265 -1.789 1.00 0.00 H new ATOM 1258 N LYS A 98 11.491 12.250 1.114 1.00 0.00 N ATOM 1259 CA LYS A 98 11.487 13.546 1.781 1.00 0.00 C ATOM 1260 C LYS A 98 10.437 14.462 1.169 1.00 0.00 C ATOM 1261 O LYS A 98 10.027 14.271 0.024 1.00 0.00 O ATOM 1262 CB LYS A 98 12.866 14.196 1.685 1.00 0.00 C ATOM 1263 CG LYS A 98 13.289 14.501 0.260 1.00 0.00 C ATOM 1264 CD LYS A 98 14.409 13.582 -0.201 1.00 0.00 C ATOM 1265 CE LYS A 98 15.196 14.196 -1.348 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.056 13.190 -2.033 1.00 0.00 N ATOM 0 H LYS A 98 11.933 12.251 0.195 1.00 0.00 H new ATOM 0 HA LYS A 98 11.242 13.389 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.865 15.121 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.603 13.536 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.432 14.393 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.617 15.538 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 15.080 13.377 0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.991 12.626 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.505 14.634 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.818 15.007 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.576 13.648 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.732 12.790 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.461 12.429 -2.418 1.00 0.00 H new ATOM 1280 N MET A 99 10.001 15.460 1.936 1.00 0.00 N ATOM 1281 CA MET A 99 8.995 16.405 1.458 1.00 0.00 C ATOM 1282 C MET A 99 9.353 16.906 0.060 1.00 0.00 C ATOM 1283 O MET A 99 10.493 16.765 -0.383 1.00 0.00 O ATOM 1284 CB MET A 99 8.870 17.591 2.420 1.00 0.00 C ATOM 1285 CG MET A 99 8.807 17.193 3.888 1.00 0.00 C ATOM 1286 SD MET A 99 7.568 15.925 4.218 1.00 0.00 S ATOM 1287 CE MET A 99 8.538 14.743 5.149 1.00 0.00 C ATOM 0 H MET A 99 10.327 15.634 2.887 1.00 0.00 H new ATOM 0 HA MET A 99 8.037 15.887 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.719 18.258 2.271 1.00 0.00 H new ATOM 0 HB3 MET A 99 7.973 18.157 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.785 16.829 4.203 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.586 18.075 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.910 13.897 5.428 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.369 14.392 4.537 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.926 15.219 6.049 1.00 0.00 H new ATOM 1297 N GLU A 100 8.376 17.475 -0.639 1.00 0.00 N ATOM 1298 CA GLU A 100 8.605 17.975 -1.991 1.00 0.00 C ATOM 1299 C GLU A 100 9.166 16.862 -2.872 1.00 0.00 C ATOM 1300 O GLU A 100 10.280 16.959 -3.388 1.00 0.00 O ATOM 1301 CB GLU A 100 9.567 19.165 -1.968 1.00 0.00 C ATOM 1302 CG GLU A 100 8.874 20.504 -1.784 1.00 0.00 C ATOM 1303 CD GLU A 100 9.797 21.677 -2.047 1.00 0.00 C ATOM 1304 OE1 GLU A 100 10.832 21.786 -1.356 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.486 22.489 -2.944 1.00 0.00 O ATOM 0 H GLU A 100 7.424 17.601 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 100 7.653 18.309 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.287 19.024 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.132 19.183 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.018 20.562 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.486 20.572 -0.768 1.00 0.00 H new ATOM 1312 N GLY A 101 8.385 15.801 -3.026 1.00 0.00 N ATOM 1313 CA GLY A 101 8.797 14.672 -3.824 1.00 0.00 C ATOM 1314 C GLY A 101 7.659 13.698 -4.021 1.00 0.00 C ATOM 1315 O GLY A 101 7.257 12.998 -3.092 1.00 0.00 O ATOM 0 H GLY A 101 7.461 15.706 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.154 15.019 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.632 14.166 -3.340 1.00 0.00 H new ATOM 1319 N THR A 102 7.122 13.674 -5.228 1.00 0.00 N ATOM 1320 CA THR A 102 6.003 12.801 -5.546 1.00 0.00 C ATOM 1321 C THR A 102 6.433 11.338 -5.567 1.00 0.00 C ATOM 1322 O THR A 102 7.265 10.932 -6.377 1.00 0.00 O ATOM 1323 CB THR A 102 5.399 13.185 -6.897 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.379 14.592 -7.056 1.00 0.00 O ATOM 1325 CG2 THR A 102 3.985 12.679 -7.086 1.00 0.00 C ATOM 0 H THR A 102 7.443 14.250 -6.006 1.00 0.00 H new ATOM 0 HA THR A 102 5.250 12.925 -4.767 1.00 0.00 H new ATOM 0 HB THR A 102 6.038 12.714 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.991 14.817 -7.927 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.616 12.986 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.976 11.591 -7.020 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.343 13.095 -6.310 1.00 0.00 H new ATOM 1333 N VAL A 103 5.845 10.550 -4.669 1.00 0.00 N ATOM 1334 CA VAL A 103 6.148 9.128 -4.573 1.00 0.00 C ATOM 1335 C VAL A 103 5.149 8.315 -5.388 1.00 0.00 C ATOM 1336 O VAL A 103 3.936 8.455 -5.217 1.00 0.00 O ATOM 1337 CB VAL A 103 6.110 8.647 -3.108 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.532 7.191 -2.999 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.981 9.531 -2.233 1.00 0.00 C ATOM 0 H VAL A 103 5.153 10.877 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 103 7.153 8.980 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 103 5.082 8.722 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.496 6.879 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.855 6.571 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.548 7.077 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.941 9.176 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.010 9.495 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.618 10.558 -2.277 1.00 0.00 H new ATOM 1349 N SER A 104 5.658 7.470 -6.277 1.00 0.00 N ATOM 1350 CA SER A 104 4.798 6.645 -7.116 1.00 0.00 C ATOM 1351 C SER A 104 4.399 5.368 -6.389 1.00 0.00 C ATOM 1352 O SER A 104 5.224 4.730 -5.735 1.00 0.00 O ATOM 1353 CB SER A 104 5.504 6.301 -8.428 1.00 0.00 C ATOM 1354 OG SER A 104 4.567 6.047 -9.460 1.00 0.00 O ATOM 0 H SER A 104 6.657 7.339 -6.435 1.00 0.00 H new ATOM 0 HA SER A 104 3.895 7.214 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.157 7.124 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.138 5.426 -8.285 1.00 0.00 H new ATOM 0 HG SER A 104 5.044 5.831 -10.289 1.00 0.00 H new ATOM 1360 N LEU A 105 3.129 5.004 -6.502 1.00 0.00 N ATOM 1361 CA LEU A 105 2.622 3.806 -5.850 1.00 0.00 C ATOM 1362 C LEU A 105 1.679 3.039 -6.770 1.00 0.00 C ATOM 1363 O LEU A 105 0.549 3.463 -7.010 1.00 0.00 O ATOM 1364 CB LEU A 105 1.896 4.169 -4.554 1.00 0.00 C ATOM 1365 CG LEU A 105 2.653 5.130 -3.638 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.679 5.998 -2.855 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.563 4.360 -2.691 1.00 0.00 C ATOM 0 H LEU A 105 2.432 5.521 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 105 3.474 3.168 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.933 4.614 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.689 3.252 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 105 3.272 5.780 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.235 6.676 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.069 6.577 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.034 5.364 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.094 5.061 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.964 3.686 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.284 3.781 -3.269 1.00 0.00 H new ATOM 1379 N LEU A 106 2.148 1.903 -7.267 1.00 0.00 N ATOM 1380 CA LEU A 106 1.342 1.066 -8.146 1.00 0.00 C ATOM 1381 C LEU A 106 0.473 0.132 -7.314 1.00 0.00 C ATOM 1382 O LEU A 106 0.977 -0.777 -6.659 1.00 0.00 O ATOM 1383 CB LEU A 106 2.239 0.256 -9.083 1.00 0.00 C ATOM 1384 CG LEU A 106 1.499 -0.720 -10.001 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.030 -0.013 -11.262 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.391 -1.903 -10.348 1.00 0.00 C ATOM 0 H LEU A 106 3.082 1.540 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 106 0.700 1.707 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.813 0.947 -9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.955 -0.305 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 106 0.622 -1.095 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.506 -0.722 -11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.356 0.801 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.891 0.390 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.850 -2.587 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.286 -1.547 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.677 -2.424 -9.434 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.832 0.369 -7.332 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.762 -0.445 -6.562 1.00 0.00 C ATOM 1400 C VAL A 107 -2.557 -1.387 -7.459 1.00 0.00 C ATOM 1401 O VAL A 107 -2.486 -1.304 -8.684 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.738 0.437 -5.757 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.972 1.399 -4.861 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.671 1.200 -6.689 1.00 0.00 C ATOM 0 H VAL A 107 -1.269 1.117 -7.870 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.164 -1.040 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.345 -0.213 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.677 2.013 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.351 0.833 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.339 2.041 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.351 1.815 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.084 1.838 -7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.247 0.493 -7.286 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.315 -2.283 -6.835 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.133 -3.242 -7.568 1.00 0.00 C ATOM 1416 C PHE A 108 -5.557 -3.257 -7.023 1.00 0.00 C ATOM 1417 O PHE A 108 -5.776 -3.533 -5.843 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.518 -4.641 -7.476 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.341 -5.708 -8.145 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.484 -6.202 -7.539 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.967 -6.219 -9.378 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.242 -7.182 -8.151 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.721 -7.200 -9.994 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.860 -7.682 -9.380 1.00 0.00 C ATOM 0 H PHE A 108 -3.380 -2.365 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.166 -2.940 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.526 -4.623 -7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.385 -4.902 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.787 -5.817 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.077 -5.847 -9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.133 -7.557 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.419 -7.589 -10.955 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.451 -8.448 -9.860 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.522 -2.956 -7.885 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.923 -2.931 -7.486 1.00 0.00 C ATOM 1436 C ARG A 109 -8.680 -4.119 -8.067 1.00 0.00 C ATOM 1437 O ARG A 109 -8.403 -4.557 -9.184 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.574 -1.625 -7.939 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.623 -1.103 -6.974 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.203 0.216 -6.343 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.350 0.992 -5.882 1.00 0.00 N ATOM 1442 CZ ARG A 109 -11.117 1.729 -6.681 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -10.862 1.794 -7.982 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -12.143 2.404 -6.179 1.00 0.00 N ATOM 0 H ARG A 109 -6.359 -2.726 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.967 -2.997 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.800 -0.868 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.034 -1.777 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.568 -0.969 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.797 -1.841 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.537 0.020 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.638 0.801 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.577 0.968 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.075 1.277 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.453 2.361 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.344 2.358 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.731 2.969 -6.792 1.00 0.00 H new