USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 ASN : amide:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= -1.06 (180deg=-1.16) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.95 K(o=-2.9,f=-6.2!) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= -0.828 (180deg=-2.64!) USER MOD Single : A 35 SER OG : rot 4:sc= 1.15 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.59! K(o=-2.6!,f=-1.3) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.387 K(o=-0.39,f=-3.7!) USER MOD Single : A 54 ASN : amide:sc= -0.594 K(o=-0.59,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.479 -0.081 -11.504 1.00 0.00 N ATOM 81 CA ALA A 9 8.021 -1.274 -10.803 1.00 0.00 C ATOM 82 C ALA A 9 8.182 -1.121 -9.295 1.00 0.00 C ATOM 83 O ALA A 9 8.049 -2.089 -8.546 1.00 0.00 O ATOM 84 CB ALA A 9 8.777 -2.499 -11.296 1.00 0.00 C ATOM 0 HA ALA A 9 6.960 -1.406 -11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.425 -3.383 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.605 -2.627 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.843 -2.366 -11.113 1.00 0.00 H new ATOM 90 N GLN A 10 8.471 0.100 -8.856 1.00 0.00 N ATOM 91 CA GLN A 10 8.653 0.378 -7.436 1.00 0.00 C ATOM 92 C GLN A 10 7.409 -0.009 -6.642 1.00 0.00 C ATOM 93 O GLN A 10 6.291 -0.013 -7.157 1.00 0.00 O ATOM 94 CB GLN A 10 8.969 1.859 -7.221 1.00 0.00 C ATOM 95 CG GLN A 10 10.411 2.225 -7.533 1.00 0.00 C ATOM 96 CD GLN A 10 10.771 3.623 -7.072 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.093 4.594 -7.409 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.843 3.733 -6.296 1.00 0.00 N ATOM 0 H GLN A 10 8.584 0.912 -9.463 1.00 0.00 H new ATOM 0 HA GLN A 10 9.491 -0.221 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.307 2.458 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.752 2.122 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.076 1.506 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.577 2.147 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.376 2.901 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.134 4.649 -5.955 1.00 0.00 H new ATOM 107 N PRO A 11 7.606 -0.344 -5.359 1.00 0.00 N ATOM 108 CA PRO A 11 6.512 -0.739 -4.466 1.00 0.00 C ATOM 109 C PRO A 11 5.594 0.429 -4.123 1.00 0.00 C ATOM 110 O PRO A 11 4.411 0.239 -3.845 1.00 0.00 O ATOM 111 CB PRO A 11 7.238 -1.236 -3.214 1.00 0.00 C ATOM 112 CG PRO A 11 8.549 -0.528 -3.229 1.00 0.00 C ATOM 113 CD PRO A 11 8.913 -0.363 -4.679 1.00 0.00 C ATOM 0 HA PRO A 11 5.862 -1.486 -4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.673 -1.004 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.372 -2.317 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.476 0.439 -2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.309 -1.102 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.469 0.559 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.538 -1.183 -5.032 1.00 0.00 H new ATOM 121 N ASN A 12 6.148 1.637 -4.144 1.00 0.00 N ATOM 122 CA ASN A 12 5.378 2.836 -3.834 1.00 0.00 C ATOM 123 C ASN A 12 4.890 3.514 -5.110 1.00 0.00 C ATOM 124 O ASN A 12 3.716 3.864 -5.229 1.00 0.00 O ATOM 125 CB ASN A 12 6.225 3.813 -3.016 1.00 0.00 C ATOM 126 CG ASN A 12 7.222 3.105 -2.119 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.414 3.412 -2.133 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.736 2.151 -1.333 1.00 0.00 N ATOM 0 H ASN A 12 7.127 1.811 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 12 4.509 2.538 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.759 4.480 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.570 4.435 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.358 1.639 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.740 1.930 -1.355 1.00 0.00 H new ATOM 135 N ALA A 13 5.799 3.695 -6.063 1.00 0.00 N ATOM 136 CA ALA A 13 5.461 4.328 -7.331 1.00 0.00 C ATOM 137 C ALA A 13 4.152 3.777 -7.888 1.00 0.00 C ATOM 138 O ALA A 13 3.309 4.530 -8.377 1.00 0.00 O ATOM 139 CB ALA A 13 6.587 4.133 -8.335 1.00 0.00 C ATOM 0 H ALA A 13 6.775 3.412 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 13 5.329 5.395 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.321 4.611 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.502 4.580 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.746 3.068 -8.501 1.00 0.00 H new ATOM 145 N ILE A 14 3.990 2.460 -7.811 1.00 0.00 N ATOM 146 CA ILE A 14 2.784 1.810 -8.307 1.00 0.00 C ATOM 147 C ILE A 14 1.591 2.100 -7.403 1.00 0.00 C ATOM 148 O ILE A 14 0.550 2.572 -7.861 1.00 0.00 O ATOM 149 CB ILE A 14 2.971 0.285 -8.418 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.264 -0.038 -9.170 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.775 -0.346 -9.114 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.756 -1.451 -8.946 1.00 0.00 C ATOM 0 H ILE A 14 4.679 1.823 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 14 2.592 2.218 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 14 3.043 -0.132 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.103 0.117 -10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.040 0.662 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.922 -1.424 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.871 -0.140 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.674 0.073 -10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.676 -1.610 -9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.949 -1.605 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.998 -2.158 -9.283 1.00 0.00 H new ATOM 164 N LEU A 15 1.749 1.815 -6.115 1.00 0.00 N ATOM 165 CA LEU A 15 0.686 2.047 -5.143 1.00 0.00 C ATOM 166 C LEU A 15 0.107 3.450 -5.294 1.00 0.00 C ATOM 167 O LEU A 15 -1.093 3.658 -5.119 1.00 0.00 O ATOM 168 CB LEU A 15 1.216 1.852 -3.722 1.00 0.00 C ATOM 169 CG LEU A 15 1.113 0.435 -3.156 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.166 0.211 -2.081 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.281 0.182 -2.600 1.00 0.00 C ATOM 0 H LEU A 15 2.603 1.423 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.108 1.324 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.263 2.155 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.676 2.527 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 15 1.293 -0.272 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.077 -0.803 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.159 0.349 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.018 0.926 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.335 -0.831 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.490 0.897 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.017 0.299 -3.396 1.00 0.00 H new ATOM 183 N GLU A 16 0.969 4.408 -5.622 1.00 0.00 N ATOM 184 CA GLU A 16 0.541 5.791 -5.798 1.00 0.00 C ATOM 185 C GLU A 16 -0.199 5.968 -7.120 1.00 0.00 C ATOM 186 O GLU A 16 -1.035 6.861 -7.263 1.00 0.00 O ATOM 187 CB GLU A 16 1.747 6.732 -5.746 1.00 0.00 C ATOM 188 CG GLU A 16 1.409 8.130 -5.257 1.00 0.00 C ATOM 189 CD GLU A 16 2.642 8.940 -4.908 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.644 8.338 -4.469 1.00 0.00 O ATOM 191 OE2 GLU A 16 2.604 10.177 -5.073 1.00 0.00 O ATOM 0 H GLU A 16 1.966 4.252 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.140 6.040 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.505 6.301 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.186 6.801 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.841 8.653 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.766 8.058 -4.380 1.00 0.00 H new ATOM 198 N LYS A 17 0.114 5.111 -8.086 1.00 0.00 N ATOM 199 CA LYS A 17 -0.520 5.170 -9.398 1.00 0.00 C ATOM 200 C LYS A 17 -1.993 4.783 -9.307 1.00 0.00 C ATOM 201 O LYS A 17 -2.875 5.585 -9.614 1.00 0.00 O ATOM 202 CB LYS A 17 0.202 4.243 -10.378 1.00 0.00 C ATOM 203 CG LYS A 17 -0.507 4.100 -11.714 1.00 0.00 C ATOM 204 CD LYS A 17 0.455 3.681 -12.813 1.00 0.00 C ATOM 205 CE LYS A 17 0.547 2.167 -12.926 1.00 0.00 C ATOM 206 NZ LYS A 17 1.544 1.599 -11.977 1.00 0.00 N ATOM 0 H LYS A 17 0.804 4.366 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.453 6.196 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.209 4.623 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.306 3.258 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.305 3.362 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.976 5.047 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.126 4.099 -13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.444 4.092 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.431 1.728 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.820 1.895 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.601 0.569 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.476 2.023 -12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.252 1.807 -11.001 1.00 0.00 H new ATOM 220 N VAL A 18 -2.252 3.550 -8.884 1.00 0.00 N ATOM 221 CA VAL A 18 -3.618 3.059 -8.751 1.00 0.00 C ATOM 222 C VAL A 18 -4.397 3.871 -7.722 1.00 0.00 C ATOM 223 O VAL A 18 -5.607 3.705 -7.571 1.00 0.00 O ATOM 224 CB VAL A 18 -3.643 1.574 -8.341 1.00 0.00 C ATOM 225 CG1 VAL A 18 -5.055 1.016 -8.440 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.682 0.768 -9.202 1.00 0.00 C ATOM 0 H VAL A 18 -1.534 2.873 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.089 3.168 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.319 1.496 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.053 -0.034 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.715 1.576 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.410 1.105 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.712 -0.279 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.974 0.851 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.670 1.153 -9.076 1.00 0.00 H new ATOM 236 N PHE A 19 -3.694 4.751 -7.017 1.00 0.00 N ATOM 237 CA PHE A 19 -4.319 5.590 -6.001 1.00 0.00 C ATOM 238 C PHE A 19 -5.166 6.684 -6.645 1.00 0.00 C ATOM 239 O PHE A 19 -6.291 6.948 -6.218 1.00 0.00 O ATOM 240 CB PHE A 19 -3.253 6.219 -5.101 1.00 0.00 C ATOM 241 CG PHE A 19 -3.820 7.096 -4.022 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.268 6.549 -2.830 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.905 8.468 -4.199 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.791 7.354 -1.836 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.427 9.278 -3.208 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.870 8.720 -2.024 1.00 0.00 C ATOM 0 H PHE A 19 -2.692 4.902 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.970 4.959 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.664 5.426 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.571 6.807 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.208 5.482 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.559 8.909 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.138 6.915 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.489 10.346 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.277 9.351 -1.247 1.00 0.00 H new ATOM 256 N THR A 20 -4.618 7.319 -7.676 1.00 0.00 N ATOM 257 CA THR A 20 -5.321 8.385 -8.379 1.00 0.00 C ATOM 258 C THR A 20 -5.801 7.918 -9.748 1.00 0.00 C ATOM 259 O THR A 20 -6.867 8.321 -10.213 1.00 0.00 O ATOM 260 CB THR A 20 -4.425 9.626 -8.558 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.322 9.314 -9.415 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.907 10.117 -7.215 1.00 0.00 C ATOM 0 H THR A 20 -3.689 7.113 -8.043 1.00 0.00 H new ATOM 0 HA THR A 20 -6.182 8.652 -7.767 1.00 0.00 H new ATOM 0 HB THR A 20 -5.023 10.417 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.758 10.108 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.277 10.994 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.749 10.381 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.323 9.329 -6.740 1.00 0.00 H new ATOM 270 N ALA A 21 -5.009 7.064 -10.388 1.00 0.00 N ATOM 271 CA ALA A 21 -5.356 6.539 -11.703 1.00 0.00 C ATOM 272 C ALA A 21 -6.638 5.716 -11.645 1.00 0.00 C ATOM 273 O ALA A 21 -7.501 5.832 -12.516 1.00 0.00 O ATOM 274 CB ALA A 21 -4.212 5.701 -12.255 1.00 0.00 C ATOM 0 H ALA A 21 -4.123 6.721 -10.017 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.528 7.383 -12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.485 5.315 -13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.318 6.319 -12.343 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.013 4.868 -11.581 1.00 0.00 H new ATOM 280 N ILE A 22 -6.756 4.884 -10.615 1.00 0.00 N ATOM 281 CA ILE A 22 -7.933 4.042 -10.445 1.00 0.00 C ATOM 282 C ILE A 22 -8.780 4.513 -9.268 1.00 0.00 C ATOM 283 O ILE A 22 -9.905 4.982 -9.445 1.00 0.00 O ATOM 284 CB ILE A 22 -7.544 2.568 -10.225 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.732 2.050 -11.414 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.787 1.718 -10.015 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.593 0.544 -11.440 1.00 0.00 C ATOM 0 H ILE A 22 -6.051 4.775 -9.886 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.514 4.123 -11.364 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.926 2.500 -9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.206 2.379 -12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.739 2.498 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.496 0.679 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.329 2.076 -9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.429 1.788 -10.893 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.006 0.248 -12.309 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.091 0.209 -10.532 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.582 0.088 -11.497 1.00 0.00 H new ATOM 299 N THR A 23 -8.232 4.387 -8.063 1.00 0.00 N ATOM 300 CA THR A 23 -8.936 4.800 -6.856 1.00 0.00 C ATOM 301 C THR A 23 -8.012 4.773 -5.644 1.00 0.00 C ATOM 302 O THR A 23 -7.050 4.006 -5.600 1.00 0.00 O ATOM 303 CB THR A 23 -10.154 3.898 -6.579 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.044 4.545 -5.663 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.716 2.558 -6.009 1.00 0.00 C ATOM 0 H THR A 23 -7.302 4.002 -7.898 1.00 0.00 H new ATOM 0 HA THR A 23 -9.280 5.820 -7.025 1.00 0.00 H new ATOM 0 HB THR A 23 -10.670 3.722 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.816 3.966 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.593 1.938 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.062 2.056 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.178 2.718 -5.074 1.00 0.00 H new ATOM 313 N LYS A 24 -8.310 5.614 -4.659 1.00 0.00 N ATOM 314 CA LYS A 24 -7.508 5.685 -3.444 1.00 0.00 C ATOM 315 C LYS A 24 -7.864 4.550 -2.489 1.00 0.00 C ATOM 316 O LYS A 24 -7.028 4.101 -1.704 1.00 0.00 O ATOM 317 CB LYS A 24 -7.714 7.033 -2.750 1.00 0.00 C ATOM 318 CG LYS A 24 -9.161 7.312 -2.382 1.00 0.00 C ATOM 319 CD LYS A 24 -9.449 8.804 -2.343 1.00 0.00 C ATOM 320 CE LYS A 24 -9.154 9.393 -0.972 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.994 10.589 -0.690 1.00 0.00 N ATOM 0 H LYS A 24 -9.102 6.256 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.460 5.584 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.105 7.064 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.354 7.828 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.820 6.832 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.381 6.872 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.846 9.312 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.494 8.981 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.330 8.637 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.101 9.667 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.763 10.961 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.808 11.320 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.999 10.323 -0.721 1.00 0.00 H new ATOM 335 N HIS A 25 -9.108 4.089 -2.563 1.00 0.00 N ATOM 336 CA HIS A 25 -9.574 3.004 -1.706 1.00 0.00 C ATOM 337 C HIS A 25 -9.990 1.795 -2.539 1.00 0.00 C ATOM 338 O HIS A 25 -11.171 1.573 -2.808 1.00 0.00 O ATOM 339 CB HIS A 25 -10.747 3.474 -0.846 1.00 0.00 C ATOM 340 CG HIS A 25 -10.330 4.054 0.470 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.831 3.617 1.678 1.00 0.00 N ATOM 342 CD2 HIS A 25 -9.452 5.042 0.764 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.281 4.312 2.658 1.00 0.00 C ATOM 344 NE2 HIS A 25 -9.440 5.183 2.130 1.00 0.00 N ATOM 0 H HIS A 25 -9.812 4.449 -3.207 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.751 2.709 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.316 4.221 -1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.416 2.632 -0.667 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.519 2.873 1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.870 5.613 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.484 4.189 3.711 1.00 0.00 H new ATOM 353 N PRO A 26 -8.999 0.995 -2.957 1.00 0.00 N ATOM 354 CA PRO A 26 -9.237 -0.205 -3.765 1.00 0.00 C ATOM 355 C PRO A 26 -9.927 -1.310 -2.972 1.00 0.00 C ATOM 356 O PRO A 26 -10.063 -1.219 -1.752 1.00 0.00 O ATOM 357 CB PRO A 26 -7.829 -0.641 -4.177 1.00 0.00 C ATOM 358 CG PRO A 26 -6.937 -0.092 -3.118 1.00 0.00 C ATOM 359 CD PRO A 26 -7.568 1.199 -2.674 1.00 0.00 C ATOM 0 HA PRO A 26 -9.899 -0.004 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.752 -1.727 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.565 -0.249 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.846 -0.789 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.932 0.077 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.391 1.389 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.167 2.051 -3.223 1.00 0.00 H new ATOM 367 N ASP A 27 -10.359 -2.353 -3.673 1.00 0.00 N ATOM 368 CA ASP A 27 -11.033 -3.477 -3.033 1.00 0.00 C ATOM 369 C ASP A 27 -10.062 -4.628 -2.794 1.00 0.00 C ATOM 370 O ASP A 27 -8.882 -4.538 -3.132 1.00 0.00 O ATOM 371 CB ASP A 27 -12.205 -3.953 -3.894 1.00 0.00 C ATOM 372 CG ASP A 27 -11.804 -4.193 -5.336 1.00 0.00 C ATOM 373 OD1 ASP A 27 -11.446 -3.214 -6.024 1.00 0.00 O ATOM 374 OD2 ASP A 27 -11.848 -5.361 -5.777 1.00 0.00 O ATOM 0 H ASP A 27 -10.255 -2.443 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.413 -3.140 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.610 -4.874 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.002 -3.210 -3.860 1.00 0.00 H new ATOM 379 N GLU A 28 -10.566 -5.710 -2.207 1.00 0.00 N ATOM 380 CA GLU A 28 -9.742 -6.878 -1.921 1.00 0.00 C ATOM 381 C GLU A 28 -9.048 -7.377 -3.185 1.00 0.00 C ATOM 382 O GLU A 28 -7.821 -7.451 -3.246 1.00 0.00 O ATOM 383 CB GLU A 28 -10.594 -7.996 -1.318 1.00 0.00 C ATOM 384 CG GLU A 28 -9.787 -9.030 -0.551 1.00 0.00 C ATOM 385 CD GLU A 28 -10.661 -10.083 0.103 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.105 -11.009 -0.608 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.900 -9.982 1.324 1.00 0.00 O ATOM 0 H GLU A 28 -11.541 -5.801 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.979 -6.584 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.335 -7.557 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.142 -8.495 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.086 -9.515 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.194 -8.529 0.214 1.00 0.00 H new ATOM 394 N LYS A 29 -9.843 -7.720 -4.193 1.00 0.00 N ATOM 395 CA LYS A 29 -9.309 -8.212 -5.457 1.00 0.00 C ATOM 396 C LYS A 29 -8.221 -7.282 -5.987 1.00 0.00 C ATOM 397 O LYS A 29 -7.086 -7.703 -6.208 1.00 0.00 O ATOM 398 CB LYS A 29 -10.429 -8.345 -6.491 1.00 0.00 C ATOM 399 CG LYS A 29 -11.556 -9.264 -6.053 1.00 0.00 C ATOM 400 CD LYS A 29 -11.157 -10.726 -6.162 1.00 0.00 C ATOM 401 CE LYS A 29 -11.283 -11.233 -7.591 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.065 -10.935 -8.394 1.00 0.00 N ATOM 0 H LYS A 29 -10.861 -7.666 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.869 -9.193 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.838 -7.357 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.008 -8.720 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.832 -9.037 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.437 -9.079 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.130 -10.850 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.787 -11.326 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.457 -12.309 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.151 -10.774 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.786 -11.782 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.267 -10.159 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.290 -10.655 -7.759 1.00 0.00 H new ATOM 416 N ARG A 30 -8.576 -6.017 -6.186 1.00 0.00 N ATOM 417 CA ARG A 30 -7.630 -5.029 -6.689 1.00 0.00 C ATOM 418 C ARG A 30 -6.270 -5.185 -6.014 1.00 0.00 C ATOM 419 O ARG A 30 -5.279 -5.523 -6.662 1.00 0.00 O ATOM 420 CB ARG A 30 -8.166 -3.615 -6.459 1.00 0.00 C ATOM 421 CG ARG A 30 -7.573 -2.578 -7.399 1.00 0.00 C ATOM 422 CD ARG A 30 -8.544 -1.435 -7.651 1.00 0.00 C ATOM 423 NE ARG A 30 -9.711 -1.866 -8.416 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.672 -2.163 -9.710 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.531 -2.077 -10.380 1.00 0.00 N ATOM 426 NH2 ARG A 30 -10.777 -2.549 -10.337 1.00 0.00 N ATOM 0 H ARG A 30 -9.512 -5.652 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.506 -5.194 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.250 -3.623 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.960 -3.320 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.650 -2.185 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.312 -3.051 -8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.869 -1.019 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.032 -0.637 -8.189 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.605 -1.943 -7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.680 -1.782 -9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.505 -2.306 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.656 -2.618 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.746 -2.777 -11.331 1.00 0.00 H new ATOM 440 N LEU A 31 -6.231 -4.935 -4.710 1.00 0.00 N ATOM 441 CA LEU A 31 -4.993 -5.047 -3.946 1.00 0.00 C ATOM 442 C LEU A 31 -4.205 -6.285 -4.365 1.00 0.00 C ATOM 443 O LEU A 31 -2.996 -6.217 -4.583 1.00 0.00 O ATOM 444 CB LEU A 31 -5.298 -5.105 -2.448 1.00 0.00 C ATOM 445 CG LEU A 31 -6.066 -3.915 -1.873 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.901 -4.345 -0.677 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.106 -2.800 -1.482 1.00 0.00 C ATOM 0 H LEU A 31 -7.042 -4.653 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.386 -4.165 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.870 -6.011 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.355 -5.198 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.739 -3.536 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.440 -3.484 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.614 -5.109 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.248 -4.750 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.670 -1.961 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.408 -3.168 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.552 -2.472 -2.361 1.00 0.00 H new ATOM 459 N GLU A 32 -4.900 -7.413 -4.476 1.00 0.00 N ATOM 460 CA GLU A 32 -4.265 -8.665 -4.870 1.00 0.00 C ATOM 461 C GLU A 32 -3.237 -8.430 -5.974 1.00 0.00 C ATOM 462 O GLU A 32 -2.079 -8.825 -5.852 1.00 0.00 O ATOM 463 CB GLU A 32 -5.317 -9.669 -5.344 1.00 0.00 C ATOM 464 CG GLU A 32 -4.943 -11.117 -5.071 1.00 0.00 C ATOM 465 CD GLU A 32 -5.533 -12.073 -6.090 1.00 0.00 C ATOM 466 OE1 GLU A 32 -6.695 -11.866 -6.496 1.00 0.00 O ATOM 467 OE2 GLU A 32 -4.830 -13.029 -6.480 1.00 0.00 O ATOM 0 H GLU A 32 -5.902 -7.485 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.751 -9.072 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.265 -9.449 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.475 -9.539 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.857 -11.215 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.287 -11.396 -4.075 1.00 0.00 H new ATOM 474 N GLY A 33 -3.672 -7.783 -7.051 1.00 0.00 N ATOM 475 CA GLY A 33 -2.779 -7.507 -8.161 1.00 0.00 C ATOM 476 C GLY A 33 -1.451 -6.933 -7.708 1.00 0.00 C ATOM 477 O GLY A 33 -0.396 -7.313 -8.217 1.00 0.00 O ATOM 0 H GLY A 33 -4.626 -7.445 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.602 -8.427 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.260 -6.807 -8.845 1.00 0.00 H new ATOM 481 N LEU A 34 -1.502 -6.015 -6.749 1.00 0.00 N ATOM 482 CA LEU A 34 -0.293 -5.386 -6.228 1.00 0.00 C ATOM 483 C LEU A 34 0.566 -6.397 -5.475 1.00 0.00 C ATOM 484 O LEU A 34 1.794 -6.357 -5.545 1.00 0.00 O ATOM 485 CB LEU A 34 -0.658 -4.222 -5.305 1.00 0.00 C ATOM 486 CG LEU A 34 -1.039 -2.912 -5.995 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.549 -1.902 -4.979 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.148 -2.347 -6.762 1.00 0.00 C ATOM 0 H LEU A 34 -2.367 -5.690 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 34 0.282 -5.006 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.491 -4.532 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.188 -4.029 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.840 -3.118 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.815 -0.976 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.428 -2.305 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.770 -1.700 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.142 -1.415 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.970 -2.157 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.468 -3.064 -7.518 1.00 0.00 H new ATOM 500 N SER A 35 -0.089 -7.303 -4.757 1.00 0.00 N ATOM 501 CA SER A 35 0.615 -8.324 -3.989 1.00 0.00 C ATOM 502 C SER A 35 1.813 -8.860 -4.768 1.00 0.00 C ATOM 503 O SER A 35 2.829 -9.238 -4.185 1.00 0.00 O ATOM 504 CB SER A 35 -0.334 -9.472 -3.638 1.00 0.00 C ATOM 505 OG SER A 35 0.226 -10.309 -2.641 1.00 0.00 O ATOM 0 H SER A 35 -1.106 -7.351 -4.691 1.00 0.00 H new ATOM 0 HA SER A 35 0.977 -7.866 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.284 -9.069 -3.287 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.547 -10.058 -4.532 1.00 0.00 H new ATOM 0 HG SER A 35 1.078 -9.931 -2.337 1.00 0.00 H new ATOM 511 N LYS A 36 1.686 -8.889 -6.090 1.00 0.00 N ATOM 512 CA LYS A 36 2.757 -9.376 -6.952 1.00 0.00 C ATOM 513 C LYS A 36 3.880 -8.350 -7.056 1.00 0.00 C ATOM 514 O LYS A 36 5.023 -8.629 -6.694 1.00 0.00 O ATOM 515 CB LYS A 36 2.212 -9.696 -8.346 1.00 0.00 C ATOM 516 CG LYS A 36 3.266 -10.225 -9.303 1.00 0.00 C ATOM 517 CD LYS A 36 2.638 -10.996 -10.452 1.00 0.00 C ATOM 518 CE LYS A 36 2.131 -10.062 -11.540 1.00 0.00 C ATOM 519 NZ LYS A 36 1.037 -10.682 -12.338 1.00 0.00 N ATOM 0 H LYS A 36 0.851 -8.581 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 36 3.161 -10.286 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.413 -10.432 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.768 -8.795 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.851 -9.394 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.957 -10.873 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.371 -11.683 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.813 -11.601 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.771 -9.138 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.955 -9.793 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.719 -10.014 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.387 -11.550 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.240 -10.915 -11.712 1.00 0.00 H new ATOM 533 N GLN A 37 3.547 -7.163 -7.551 1.00 0.00 N ATOM 534 CA GLN A 37 4.529 -6.095 -7.702 1.00 0.00 C ATOM 535 C GLN A 37 5.191 -5.772 -6.367 1.00 0.00 C ATOM 536 O GLN A 37 6.417 -5.781 -6.251 1.00 0.00 O ATOM 537 CB GLN A 37 3.866 -4.841 -8.273 1.00 0.00 C ATOM 538 CG GLN A 37 3.688 -4.880 -9.782 1.00 0.00 C ATOM 539 CD GLN A 37 2.482 -4.089 -10.248 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.339 -4.469 -9.992 1.00 0.00 O ATOM 541 NE2 GLN A 37 2.730 -2.981 -10.937 1.00 0.00 N ATOM 0 H GLN A 37 2.605 -6.916 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 37 5.298 -6.438 -8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.891 -4.710 -7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.466 -3.970 -8.009 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.584 -4.484 -10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.585 -5.916 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.693 -2.703 -11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.958 -2.408 -11.277 1.00 0.00 H new ATOM 550 N LEU A 38 4.372 -5.487 -5.360 1.00 0.00 N ATOM 551 CA LEU A 38 4.878 -5.161 -4.031 1.00 0.00 C ATOM 552 C LEU A 38 5.441 -6.400 -3.343 1.00 0.00 C ATOM 553 O LEU A 38 6.277 -6.298 -2.445 1.00 0.00 O ATOM 554 CB LEU A 38 3.767 -4.550 -3.177 1.00 0.00 C ATOM 555 CG LEU A 38 2.851 -3.548 -3.882 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.735 -3.099 -2.952 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.651 -2.351 -4.376 1.00 0.00 C ATOM 0 H LEU A 38 3.355 -5.475 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 38 5.683 -4.434 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.152 -5.359 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.225 -4.053 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 38 2.401 -4.040 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.094 -2.387 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.145 -3.964 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.165 -2.625 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.984 -1.648 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.129 -1.859 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.414 -2.688 -5.078 1.00 0.00 H new ATOM 569 N ASP A 39 4.979 -7.570 -3.772 1.00 0.00 N ATOM 570 CA ASP A 39 5.439 -8.830 -3.199 1.00 0.00 C ATOM 571 C ASP A 39 5.073 -8.921 -1.721 1.00 0.00 C ATOM 572 O ASP A 39 5.761 -9.579 -0.941 1.00 0.00 O ATOM 573 CB ASP A 39 6.952 -8.971 -3.373 1.00 0.00 C ATOM 574 CG ASP A 39 7.324 -9.653 -4.675 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.677 -10.663 -5.022 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.262 -9.176 -5.347 1.00 0.00 O ATOM 0 H ASP A 39 4.287 -7.672 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 39 4.943 -9.644 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.412 -7.984 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.359 -9.541 -2.538 1.00 0.00 H new ATOM 581 N TRP A 40 3.987 -8.255 -1.344 1.00 0.00 N ATOM 582 CA TRP A 40 3.531 -8.260 0.041 1.00 0.00 C ATOM 583 C TRP A 40 2.190 -8.974 0.170 1.00 0.00 C ATOM 584 O TRP A 40 1.658 -9.496 -0.810 1.00 0.00 O ATOM 585 CB TRP A 40 3.413 -6.829 0.566 1.00 0.00 C ATOM 586 CG TRP A 40 4.625 -5.992 0.288 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.901 -6.439 0.091 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.676 -4.566 0.179 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.741 -5.375 -0.134 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.014 -4.215 -0.087 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.720 -3.551 0.276 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.418 -2.893 -0.253 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.123 -2.239 0.111 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.462 -1.920 -0.152 1.00 0.00 C ATOM 0 H TRP A 40 3.407 -7.705 -1.978 1.00 0.00 H new ATOM 0 HA TRP A 40 4.267 -8.799 0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.542 -6.355 0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.239 -6.858 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.205 -7.475 0.109 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.744 -5.439 -0.308 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.685 -3.787 0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.450 -2.645 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.393 -1.446 0.186 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.745 -0.885 -0.277 1.00 0.00 H new ATOM 605 N ASP A 41 1.648 -8.993 1.383 1.00 0.00 N ATOM 606 CA ASP A 41 0.368 -9.642 1.639 1.00 0.00 C ATOM 607 C ASP A 41 -0.789 -8.681 1.384 1.00 0.00 C ATOM 608 O ASP A 41 -0.698 -7.490 1.683 1.00 0.00 O ATOM 609 CB ASP A 41 0.312 -10.158 3.077 1.00 0.00 C ATOM 610 CG ASP A 41 1.424 -11.141 3.384 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.691 -12.019 2.536 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.029 -11.032 4.471 1.00 0.00 O ATOM 0 H ASP A 41 2.076 -8.566 2.205 1.00 0.00 H new ATOM 0 HA ASP A 41 0.273 -10.486 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.376 -9.315 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.651 -10.638 3.250 1.00 0.00 H new ATOM 617 N VAL A 42 -1.877 -9.206 0.829 1.00 0.00 N ATOM 618 CA VAL A 42 -3.052 -8.394 0.534 1.00 0.00 C ATOM 619 C VAL A 42 -3.306 -7.373 1.637 1.00 0.00 C ATOM 620 O VAL A 42 -3.727 -6.247 1.369 1.00 0.00 O ATOM 621 CB VAL A 42 -4.308 -9.269 0.360 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.502 -8.415 -0.038 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.058 -10.362 -0.668 1.00 0.00 C ATOM 0 H VAL A 42 -1.969 -10.189 0.575 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.849 -7.871 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.533 -9.745 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.380 -9.050 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.693 -7.673 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.290 -7.910 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.956 -10.970 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.807 -9.909 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.232 -10.991 -0.337 1.00 0.00 H new ATOM 633 N ARG A 43 -3.046 -7.773 2.877 1.00 0.00 N ATOM 634 CA ARG A 43 -3.248 -6.893 4.022 1.00 0.00 C ATOM 635 C ARG A 43 -2.102 -5.892 4.146 1.00 0.00 C ATOM 636 O ARG A 43 -2.315 -4.731 4.493 1.00 0.00 O ATOM 637 CB ARG A 43 -3.364 -7.713 5.308 1.00 0.00 C ATOM 638 CG ARG A 43 -4.528 -8.690 5.304 1.00 0.00 C ATOM 639 CD ARG A 43 -4.404 -9.708 6.427 1.00 0.00 C ATOM 640 NE ARG A 43 -4.895 -9.183 7.698 1.00 0.00 N ATOM 641 CZ ARG A 43 -4.906 -9.883 8.827 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.454 -11.129 8.843 1.00 0.00 N ATOM 643 NH2 ARG A 43 -5.368 -9.336 9.944 1.00 0.00 N ATOM 0 H ARG A 43 -2.695 -8.701 3.115 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.175 -6.341 3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.437 -8.266 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.474 -7.034 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.465 -8.142 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.567 -9.207 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.963 -10.606 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.360 -10.003 6.535 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.249 -8.227 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.096 -11.553 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.464 -11.664 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.715 -8.377 9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.376 -9.875 10.810 1.00 0.00 H new ATOM 657 N SER A 44 -0.888 -6.352 3.860 1.00 0.00 N ATOM 658 CA SER A 44 0.291 -5.498 3.943 1.00 0.00 C ATOM 659 C SER A 44 0.191 -4.336 2.960 1.00 0.00 C ATOM 660 O SER A 44 0.769 -3.271 3.180 1.00 0.00 O ATOM 661 CB SER A 44 1.556 -6.312 3.662 1.00 0.00 C ATOM 662 OG SER A 44 1.703 -7.365 4.598 1.00 0.00 O ATOM 0 H SER A 44 -0.695 -7.310 3.569 1.00 0.00 H new ATOM 0 HA SER A 44 0.345 -5.092 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.512 -6.722 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.428 -5.660 3.703 1.00 0.00 H new ATOM 0 HG SER A 44 2.518 -7.871 4.396 1.00 0.00 H new ATOM 668 N ILE A 45 -0.545 -4.549 1.875 1.00 0.00 N ATOM 669 CA ILE A 45 -0.722 -3.520 0.858 1.00 0.00 C ATOM 670 C ILE A 45 -1.584 -2.375 1.379 1.00 0.00 C ATOM 671 O ILE A 45 -1.163 -1.218 1.378 1.00 0.00 O ATOM 672 CB ILE A 45 -1.366 -4.093 -0.418 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.610 -5.340 -0.881 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.390 -3.042 -1.518 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.231 -6.010 -2.086 1.00 0.00 C ATOM 0 H ILE A 45 -1.029 -5.425 1.677 1.00 0.00 H new ATOM 0 HA ILE A 45 0.271 -3.143 0.615 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.394 -4.377 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.418 -5.065 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.567 -6.055 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.848 -3.463 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.968 -2.180 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.371 -2.729 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.643 -6.886 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.249 -6.316 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.249 -5.311 -2.922 1.00 0.00 H new ATOM 687 N GLN A 46 -2.792 -2.706 1.824 1.00 0.00 N ATOM 688 CA GLN A 46 -3.713 -1.705 2.349 1.00 0.00 C ATOM 689 C GLN A 46 -2.999 -0.757 3.307 1.00 0.00 C ATOM 690 O GLN A 46 -3.259 0.446 3.313 1.00 0.00 O ATOM 691 CB GLN A 46 -4.884 -2.383 3.062 1.00 0.00 C ATOM 692 CG GLN A 46 -5.999 -2.816 2.124 1.00 0.00 C ATOM 693 CD GLN A 46 -7.258 -3.226 2.863 1.00 0.00 C ATOM 694 OE1 GLN A 46 -8.112 -2.394 3.168 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.378 -4.516 3.156 1.00 0.00 N ATOM 0 H GLN A 46 -3.155 -3.659 1.831 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.095 -1.124 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.514 -3.255 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.292 -1.698 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.233 -1.998 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.652 -3.650 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.645 -5.171 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.203 -4.851 3.653 1.00 0.00 H new ATOM 704 N ARG A 47 -2.099 -1.308 4.115 1.00 0.00 N ATOM 705 CA ARG A 47 -1.348 -0.512 5.078 1.00 0.00 C ATOM 706 C ARG A 47 -0.754 0.727 4.414 1.00 0.00 C ATOM 707 O ARG A 47 -0.699 1.799 5.015 1.00 0.00 O ATOM 708 CB ARG A 47 -0.235 -1.351 5.708 1.00 0.00 C ATOM 709 CG ARG A 47 -0.740 -2.584 6.438 1.00 0.00 C ATOM 710 CD ARG A 47 0.388 -3.309 7.154 1.00 0.00 C ATOM 711 NE ARG A 47 1.070 -2.446 8.115 1.00 0.00 N ATOM 712 CZ ARG A 47 2.060 -1.622 7.790 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.482 -1.550 6.535 1.00 0.00 N ATOM 714 NH2 ARG A 47 2.630 -0.868 8.721 1.00 0.00 N ATOM 0 H ARG A 47 -1.872 -2.302 4.122 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.036 -0.189 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.461 -1.661 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.325 -0.730 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.503 -2.293 7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.215 -3.260 5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.012 -4.182 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.107 -3.674 6.421 1.00 0.00 H new ATOM 0 HE ARG A 47 0.770 -2.478 9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.046 -2.128 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.242 -0.916 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.308 -0.921 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.390 -0.236 8.470 1.00 0.00 H new ATOM 728 N TRP A 48 -0.310 0.570 3.173 1.00 0.00 N ATOM 729 CA TRP A 48 0.282 1.675 2.427 1.00 0.00 C ATOM 730 C TRP A 48 -0.790 2.658 1.970 1.00 0.00 C ATOM 731 O TRP A 48 -0.609 3.873 2.056 1.00 0.00 O ATOM 732 CB TRP A 48 1.055 1.146 1.218 1.00 0.00 C ATOM 733 CG TRP A 48 1.815 2.211 0.486 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.160 2.440 0.537 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.272 3.193 -0.403 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.486 3.504 -0.268 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.346 3.983 -0.857 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.016 3.480 -0.863 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.169 5.040 -1.745 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.191 4.529 -1.744 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.897 5.299 -2.179 1.00 0.00 C ATOM 0 H TRP A 48 -0.348 -0.312 2.661 1.00 0.00 H new ATOM 0 HA TRP A 48 0.972 2.199 3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.751 0.376 1.550 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.357 0.670 0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.864 1.869 1.124 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.425 3.877 -0.405 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.860 2.891 -0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.006 5.635 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.183 4.760 -2.104 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.728 6.112 -2.870 1.00 0.00 H new ATOM 752 N PHE A 49 -1.906 2.126 1.484 1.00 0.00 N ATOM 753 CA PHE A 49 -3.007 2.958 1.012 1.00 0.00 C ATOM 754 C PHE A 49 -3.538 3.845 2.135 1.00 0.00 C ATOM 755 O PHE A 49 -3.655 5.061 1.978 1.00 0.00 O ATOM 756 CB PHE A 49 -4.135 2.084 0.461 1.00 0.00 C ATOM 757 CG PHE A 49 -3.997 1.779 -1.003 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.144 2.780 -1.950 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.717 0.492 -1.433 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.018 2.502 -3.298 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.589 0.208 -2.779 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.739 1.214 -3.713 1.00 0.00 C ATOM 0 H PHE A 49 -2.072 1.123 1.407 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.630 3.598 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.163 1.147 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.088 2.585 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.360 3.789 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.597 -0.299 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.137 3.291 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.372 -0.800 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.638 0.994 -4.766 1.00 0.00 H new ATOM 772 N ARG A 50 -3.859 3.228 3.267 1.00 0.00 N ATOM 773 CA ARG A 50 -4.380 3.960 4.416 1.00 0.00 C ATOM 774 C ARG A 50 -3.350 4.958 4.936 1.00 0.00 C ATOM 775 O ARG A 50 -3.702 6.045 5.393 1.00 0.00 O ATOM 776 CB ARG A 50 -4.773 2.989 5.530 1.00 0.00 C ATOM 777 CG ARG A 50 -3.586 2.314 6.197 1.00 0.00 C ATOM 778 CD ARG A 50 -4.027 1.161 7.086 1.00 0.00 C ATOM 779 NE ARG A 50 -4.819 1.620 8.224 1.00 0.00 N ATOM 780 CZ ARG A 50 -5.144 0.845 9.253 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.748 -0.420 9.286 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.867 1.335 10.252 1.00 0.00 N ATOM 0 H ARG A 50 -3.768 2.223 3.414 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.264 4.510 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.345 3.528 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.431 2.224 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.900 1.945 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.038 3.044 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.612 0.454 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.149 0.626 7.448 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.140 2.588 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.192 -0.801 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.999 -1.013 10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.174 2.308 10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.116 0.739 11.042 1.00 0.00 H new ATOM 796 N GLN A 51 -2.078 4.580 4.864 1.00 0.00 N ATOM 797 CA GLN A 51 -0.998 5.442 5.329 1.00 0.00 C ATOM 798 C GLN A 51 -0.777 6.605 4.367 1.00 0.00 C ATOM 799 O GLN A 51 -0.480 7.723 4.787 1.00 0.00 O ATOM 800 CB GLN A 51 0.295 4.639 5.482 1.00 0.00 C ATOM 801 CG GLN A 51 0.442 3.977 6.842 1.00 0.00 C ATOM 802 CD GLN A 51 0.856 4.954 7.925 1.00 0.00 C ATOM 803 OE1 GLN A 51 0.307 6.051 8.030 1.00 0.00 O ATOM 804 NE2 GLN A 51 1.829 4.560 8.738 1.00 0.00 N ATOM 0 H GLN A 51 -1.770 3.683 4.488 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.283 5.846 6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.330 3.872 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.145 5.300 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.504 3.512 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.182 3.179 6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.256 3.642 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.149 5.175 9.486 1.00 0.00 H new ATOM 813 N ARG A 52 -0.923 6.333 3.074 1.00 0.00 N ATOM 814 CA ARG A 52 -0.737 7.357 2.052 1.00 0.00 C ATOM 815 C ARG A 52 -1.684 8.531 2.282 1.00 0.00 C ATOM 816 O ARG A 52 -1.247 9.650 2.552 1.00 0.00 O ATOM 817 CB ARG A 52 -0.968 6.766 0.660 1.00 0.00 C ATOM 818 CG ARG A 52 -0.640 7.726 -0.471 1.00 0.00 C ATOM 819 CD ARG A 52 0.861 7.846 -0.682 1.00 0.00 C ATOM 820 NE ARG A 52 1.462 8.836 0.208 1.00 0.00 N ATOM 821 CZ ARG A 52 2.708 9.277 0.082 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.482 8.819 -0.893 1.00 0.00 N ATOM 823 NH2 ARG A 52 3.183 10.179 0.931 1.00 0.00 N ATOM 0 H ARG A 52 -1.169 5.413 2.709 1.00 0.00 H new ATOM 0 HA ARG A 52 0.288 7.721 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.360 5.868 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.010 6.458 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.111 7.381 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.057 8.708 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.329 6.876 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.061 8.121 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 52 0.893 9.209 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.120 8.126 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.439 9.160 -0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.591 10.534 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.140 10.517 0.833 1.00 0.00 H new ATOM 837 N ARG A 53 -2.982 8.269 2.170 1.00 0.00 N ATOM 838 CA ARG A 53 -3.990 9.304 2.364 1.00 0.00 C ATOM 839 C ARG A 53 -3.612 10.222 3.522 1.00 0.00 C ATOM 840 O ARG A 53 -3.480 11.433 3.350 1.00 0.00 O ATOM 841 CB ARG A 53 -5.358 8.671 2.626 1.00 0.00 C ATOM 842 CG ARG A 53 -5.818 7.735 1.521 1.00 0.00 C ATOM 843 CD ARG A 53 -7.117 7.034 1.889 1.00 0.00 C ATOM 844 NE ARG A 53 -7.039 6.391 3.198 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.291 7.018 4.341 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.635 8.298 4.337 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.200 6.364 5.492 1.00 0.00 N ATOM 0 H ARG A 53 -3.360 7.349 1.946 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.042 9.900 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.320 8.119 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.097 9.462 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.957 8.299 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.045 6.992 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.932 7.757 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.353 6.287 1.131 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.777 5.406 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.707 8.804 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.828 8.777 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.936 5.379 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.394 6.847 6.369 1.00 0.00 H new ATOM 861 N ASN A 54 -3.439 9.636 4.703 1.00 0.00 N ATOM 862 CA ASN A 54 -3.077 10.401 5.890 1.00 0.00 C ATOM 863 C ASN A 54 -2.053 11.480 5.550 1.00 0.00 C ATOM 864 O ASN A 54 -2.279 12.664 5.801 1.00 0.00 O ATOM 865 CB ASN A 54 -2.516 9.473 6.969 1.00 0.00 C ATOM 866 CG ASN A 54 -2.369 10.167 8.309 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.130 11.373 8.373 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.509 9.406 9.389 1.00 0.00 N ATOM 0 H ASN A 54 -3.544 8.634 4.863 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.977 10.885 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.173 8.610 7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.545 9.095 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.419 9.817 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.707 8.410 9.289 1.00 0.00 H new