USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=5 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 X(o=0,f=-0.033) USER MOD Single : A 12 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -1.08 (180deg=-2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-0.82) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 46:sc= 1.22 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -3.56! C(o=-3.6!,f=-2.6!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.46 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.483 -0.187 -12.133 1.00 0.00 N ATOM 81 CA ALA A 9 7.959 -1.366 -11.454 1.00 0.00 C ATOM 82 C ALA A 9 8.166 -1.268 -9.946 1.00 0.00 C ATOM 83 O ALA A 9 7.978 -2.244 -9.221 1.00 0.00 O ATOM 84 CB ALA A 9 8.617 -2.625 -11.998 1.00 0.00 C ATOM 0 HA ALA A 9 6.887 -1.418 -11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.216 -3.497 -11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.413 -2.710 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.694 -2.571 -11.837 1.00 0.00 H new ATOM 90 N GLN A 10 8.554 -0.085 -9.482 1.00 0.00 N ATOM 91 CA GLN A 10 8.788 0.139 -8.060 1.00 0.00 C ATOM 92 C GLN A 10 7.541 -0.188 -7.246 1.00 0.00 C ATOM 93 O GLN A 10 6.415 -0.141 -7.742 1.00 0.00 O ATOM 94 CB GLN A 10 9.208 1.589 -7.812 1.00 0.00 C ATOM 95 CG GLN A 10 10.607 1.911 -8.312 1.00 0.00 C ATOM 96 CD GLN A 10 11.680 1.580 -7.293 1.00 0.00 C ATOM 97 OE1 GLN A 10 12.076 0.424 -7.144 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.158 2.597 -6.585 1.00 0.00 N ATOM 0 H GLN A 10 8.713 0.733 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 10 9.592 -0.524 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.495 2.254 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.157 1.796 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.798 1.354 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.664 2.970 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.801 3.540 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.882 2.435 -5.885 1.00 0.00 H new ATOM 107 N PRO A 11 7.742 -0.528 -5.964 1.00 0.00 N ATOM 108 CA PRO A 11 6.646 -0.870 -5.053 1.00 0.00 C ATOM 109 C PRO A 11 5.788 0.340 -4.699 1.00 0.00 C ATOM 110 O PRO A 11 4.567 0.238 -4.596 1.00 0.00 O ATOM 111 CB PRO A 11 7.367 -1.396 -3.810 1.00 0.00 C ATOM 112 CG PRO A 11 8.709 -0.750 -3.849 1.00 0.00 C ATOM 113 CD PRO A 11 9.057 -0.606 -5.305 1.00 0.00 C ATOM 0 HA PRO A 11 5.956 -1.588 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.828 -1.135 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.450 -2.483 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.689 0.221 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.450 -1.357 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.652 0.288 -5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.637 -1.455 -5.665 1.00 0.00 H new ATOM 121 N ASN A 12 6.437 1.486 -4.515 1.00 0.00 N ATOM 122 CA ASN A 12 5.733 2.716 -4.172 1.00 0.00 C ATOM 123 C ASN A 12 5.201 3.406 -5.424 1.00 0.00 C ATOM 124 O ASN A 12 4.021 3.743 -5.506 1.00 0.00 O ATOM 125 CB ASN A 12 6.661 3.664 -3.409 1.00 0.00 C ATOM 126 CG ASN A 12 6.615 3.437 -1.911 1.00 0.00 C ATOM 127 OD1 ASN A 12 6.464 4.380 -1.133 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.745 2.181 -1.498 1.00 0.00 N ATOM 0 H ASN A 12 7.449 1.588 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 12 4.887 2.455 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.683 3.530 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.381 4.695 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.722 1.967 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.868 1.431 -2.178 1.00 0.00 H new ATOM 135 N ALA A 13 6.081 3.611 -6.399 1.00 0.00 N ATOM 136 CA ALA A 13 5.700 4.258 -7.649 1.00 0.00 C ATOM 137 C ALA A 13 4.364 3.726 -8.157 1.00 0.00 C ATOM 138 O ALA A 13 3.462 4.498 -8.483 1.00 0.00 O ATOM 139 CB ALA A 13 6.784 4.058 -8.698 1.00 0.00 C ATOM 0 H ALA A 13 7.063 3.338 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 13 5.587 5.325 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.487 4.546 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.719 4.492 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.924 2.992 -8.877 1.00 0.00 H new ATOM 145 N ILE A 14 4.245 2.405 -8.222 1.00 0.00 N ATOM 146 CA ILE A 14 3.019 1.771 -8.690 1.00 0.00 C ATOM 147 C ILE A 14 1.843 2.110 -7.780 1.00 0.00 C ATOM 148 O ILE A 14 0.799 2.572 -8.242 1.00 0.00 O ATOM 149 CB ILE A 14 3.170 0.240 -8.767 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.300 -0.135 -9.728 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.861 -0.400 -9.205 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.787 -1.557 -9.562 1.00 0.00 C ATOM 0 H ILE A 14 4.983 1.752 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 14 2.825 2.159 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 14 3.422 -0.136 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.956 0.005 -10.753 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.137 0.547 -9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.984 -1.482 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.078 -0.156 -8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.582 -0.021 -10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.588 -1.753 -10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.162 -1.697 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.963 -2.247 -9.743 1.00 0.00 H new ATOM 164 N LEU A 15 2.019 1.878 -6.484 1.00 0.00 N ATOM 165 CA LEU A 15 0.973 2.160 -5.507 1.00 0.00 C ATOM 166 C LEU A 15 0.419 3.568 -5.694 1.00 0.00 C ATOM 167 O LEU A 15 -0.786 3.791 -5.585 1.00 0.00 O ATOM 168 CB LEU A 15 1.518 1.998 -4.087 1.00 0.00 C ATOM 169 CG LEU A 15 1.435 0.592 -3.492 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.495 0.403 -2.418 1.00 0.00 C ATOM 171 CD2 LEU A 15 0.046 0.333 -2.926 1.00 0.00 C ATOM 0 H LEU A 15 2.876 1.495 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 15 0.163 1.448 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.562 2.312 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.977 2.681 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 15 1.621 -0.130 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.420 -0.603 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.484 0.544 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.341 1.133 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.006 -0.672 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.170 1.061 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.694 0.425 -3.721 1.00 0.00 H new ATOM 183 N GLU A 16 1.308 4.516 -5.979 1.00 0.00 N ATOM 184 CA GLU A 16 0.906 5.903 -6.182 1.00 0.00 C ATOM 185 C GLU A 16 0.017 6.036 -7.415 1.00 0.00 C ATOM 186 O GLU A 16 -0.956 6.791 -7.415 1.00 0.00 O ATOM 187 CB GLU A 16 2.138 6.797 -6.330 1.00 0.00 C ATOM 188 CG GLU A 16 1.921 8.219 -5.839 1.00 0.00 C ATOM 189 CD GLU A 16 3.218 8.991 -5.696 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.066 8.900 -6.608 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.385 9.687 -4.672 1.00 0.00 O ATOM 0 H GLU A 16 2.310 4.348 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 16 0.337 6.222 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.967 6.354 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.432 6.825 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.265 8.743 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.410 8.193 -4.877 1.00 0.00 H new ATOM 198 N LYS A 17 0.357 5.297 -8.465 1.00 0.00 N ATOM 199 CA LYS A 17 -0.409 5.331 -9.706 1.00 0.00 C ATOM 200 C LYS A 17 -1.804 4.748 -9.499 1.00 0.00 C ATOM 201 O LYS A 17 -2.804 5.354 -9.886 1.00 0.00 O ATOM 202 CB LYS A 17 0.323 4.554 -10.802 1.00 0.00 C ATOM 203 CG LYS A 17 -0.464 4.442 -12.097 1.00 0.00 C ATOM 204 CD LYS A 17 -0.310 5.689 -12.952 1.00 0.00 C ATOM 205 CE LYS A 17 0.904 5.594 -13.863 1.00 0.00 C ATOM 206 NZ LYS A 17 2.179 5.699 -13.100 1.00 0.00 N ATOM 0 H LYS A 17 1.159 4.667 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.511 6.372 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.276 5.042 -11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.549 3.552 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.123 3.571 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.518 4.283 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.207 5.832 -13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.215 6.563 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.880 4.647 -14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.861 6.387 -14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.945 5.985 -13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.075 6.409 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.408 4.777 -12.677 1.00 0.00 H new ATOM 220 N VAL A 18 -1.864 3.570 -8.886 1.00 0.00 N ATOM 221 CA VAL A 18 -3.136 2.908 -8.626 1.00 0.00 C ATOM 222 C VAL A 18 -3.896 3.600 -7.500 1.00 0.00 C ATOM 223 O VAL A 18 -5.050 3.272 -7.222 1.00 0.00 O ATOM 224 CB VAL A 18 -2.932 1.426 -8.259 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.246 0.666 -8.357 1.00 0.00 C ATOM 226 CG2 VAL A 18 -1.875 0.796 -9.152 1.00 0.00 C ATOM 0 H VAL A 18 -1.046 3.055 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.719 2.970 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.583 1.370 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.082 -0.379 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.971 1.103 -7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.627 0.728 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.744 -0.251 -8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.192 0.862 -10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.930 1.325 -9.026 1.00 0.00 H new ATOM 236 N PHE A 19 -3.242 4.560 -6.855 1.00 0.00 N ATOM 237 CA PHE A 19 -3.855 5.299 -5.758 1.00 0.00 C ATOM 238 C PHE A 19 -4.699 6.456 -6.286 1.00 0.00 C ATOM 239 O PHE A 19 -5.765 6.759 -5.748 1.00 0.00 O ATOM 240 CB PHE A 19 -2.780 5.829 -4.808 1.00 0.00 C ATOM 241 CG PHE A 19 -3.260 6.942 -3.921 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.145 6.688 -2.885 1.00 0.00 C ATOM 243 CD2 PHE A 19 -2.825 8.243 -4.122 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.588 7.711 -2.068 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.265 9.269 -3.308 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.147 9.003 -2.279 1.00 0.00 C ATOM 0 H PHE A 19 -2.287 4.844 -7.073 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.507 4.616 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.420 5.009 -4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.931 6.182 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.492 5.680 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.134 8.457 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.279 7.500 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.919 10.278 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.491 9.803 -1.641 1.00 0.00 H new ATOM 256 N THR A 20 -4.214 7.099 -7.344 1.00 0.00 N ATOM 257 CA THR A 20 -4.921 8.223 -7.944 1.00 0.00 C ATOM 258 C THR A 20 -5.480 7.853 -9.313 1.00 0.00 C ATOM 259 O THR A 20 -6.597 8.233 -9.662 1.00 0.00 O ATOM 260 CB THR A 20 -4.002 9.451 -8.092 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.835 9.101 -8.845 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.590 9.985 -6.729 1.00 0.00 C ATOM 0 H THR A 20 -3.335 6.860 -7.802 1.00 0.00 H new ATOM 0 HA THR A 20 -5.744 8.473 -7.274 1.00 0.00 H new ATOM 0 HB THR A 20 -4.554 10.230 -8.618 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.257 9.887 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.942 10.852 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.478 10.277 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.054 9.210 -6.181 1.00 0.00 H new ATOM 270 N ALA A 21 -4.695 7.109 -10.086 1.00 0.00 N ATOM 271 CA ALA A 21 -5.113 6.685 -11.416 1.00 0.00 C ATOM 272 C ALA A 21 -6.342 5.785 -11.345 1.00 0.00 C ATOM 273 O ALA A 21 -7.216 5.842 -12.211 1.00 0.00 O ATOM 274 CB ALA A 21 -3.972 5.970 -12.125 1.00 0.00 C ATOM 0 H ALA A 21 -3.766 6.788 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.380 7.575 -11.987 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.298 5.659 -13.117 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.121 6.645 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.678 5.093 -11.548 1.00 0.00 H new ATOM 280 N ILE A 22 -6.401 4.954 -10.310 1.00 0.00 N ATOM 281 CA ILE A 22 -7.523 4.042 -10.126 1.00 0.00 C ATOM 282 C ILE A 22 -8.420 4.497 -8.981 1.00 0.00 C ATOM 283 O ILE A 22 -9.575 4.871 -9.192 1.00 0.00 O ATOM 284 CB ILE A 22 -7.041 2.606 -9.847 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.983 2.191 -10.870 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.216 1.639 -9.870 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.527 2.032 -12.272 1.00 0.00 C ATOM 0 H ILE A 22 -5.685 4.893 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.093 4.051 -11.055 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.590 2.577 -8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.187 2.936 -10.880 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.534 1.249 -10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.859 0.628 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.938 1.926 -9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.693 1.669 -10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.721 1.737 -12.944 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.302 1.266 -12.277 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.950 2.979 -12.608 1.00 0.00 H new ATOM 299 N THR A 23 -7.882 4.466 -7.766 1.00 0.00 N ATOM 300 CA THR A 23 -8.633 4.876 -6.586 1.00 0.00 C ATOM 301 C THR A 23 -7.751 4.867 -5.342 1.00 0.00 C ATOM 302 O THR A 23 -6.678 4.263 -5.334 1.00 0.00 O ATOM 303 CB THR A 23 -9.847 3.959 -6.346 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.691 4.519 -5.334 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.400 2.567 -5.928 1.00 0.00 C ATOM 0 H THR A 23 -6.928 4.161 -7.573 1.00 0.00 H new ATOM 0 HA THR A 23 -8.984 5.891 -6.772 1.00 0.00 H new ATOM 0 HB THR A 23 -10.404 3.879 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.461 3.931 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.275 1.938 -5.764 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.782 2.132 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.822 2.632 -5.006 1.00 0.00 H new ATOM 313 N LYS A 24 -8.209 5.540 -4.293 1.00 0.00 N ATOM 314 CA LYS A 24 -7.464 5.609 -3.042 1.00 0.00 C ATOM 315 C LYS A 24 -7.825 4.442 -2.128 1.00 0.00 C ATOM 316 O LYS A 24 -7.020 4.019 -1.297 1.00 0.00 O ATOM 317 CB LYS A 24 -7.744 6.934 -2.329 1.00 0.00 C ATOM 318 CG LYS A 24 -7.328 8.155 -3.130 1.00 0.00 C ATOM 319 CD LYS A 24 -7.184 9.381 -2.244 1.00 0.00 C ATOM 320 CE LYS A 24 -8.484 9.704 -1.524 1.00 0.00 C ATOM 321 NZ LYS A 24 -8.625 11.163 -1.262 1.00 0.00 N ATOM 0 H LYS A 24 -9.094 6.046 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.402 5.548 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.809 7.000 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.220 6.941 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.382 7.956 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.067 8.351 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.394 9.212 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.880 10.235 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.327 9.360 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.521 9.160 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.524 11.342 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.835 11.487 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.615 11.680 -2.164 1.00 0.00 H new ATOM 335 N HIS A 25 -9.039 3.924 -2.289 1.00 0.00 N ATOM 336 CA HIS A 25 -9.505 2.804 -1.479 1.00 0.00 C ATOM 337 C HIS A 25 -9.745 1.571 -2.345 1.00 0.00 C ATOM 338 O HIS A 25 -10.875 1.256 -2.719 1.00 0.00 O ATOM 339 CB HIS A 25 -10.789 3.181 -0.740 1.00 0.00 C ATOM 340 CG HIS A 25 -10.755 4.553 -0.140 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.276 4.808 1.127 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.141 5.749 -0.643 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.371 6.101 1.380 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.892 6.695 0.321 1.00 0.00 N ATOM 0 H HIS A 25 -9.717 4.262 -2.972 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.731 2.568 -0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.629 3.117 -1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.971 2.452 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.566 5.926 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.074 6.589 2.296 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.079 7.694 0.234 1.00 0.00 H new ATOM 353 N PRO A 26 -8.659 0.857 -2.673 1.00 0.00 N ATOM 354 CA PRO A 26 -8.726 -0.352 -3.499 1.00 0.00 C ATOM 355 C PRO A 26 -9.391 -1.516 -2.771 1.00 0.00 C ATOM 356 O PRO A 26 -9.210 -1.690 -1.566 1.00 0.00 O ATOM 357 CB PRO A 26 -7.256 -0.670 -3.784 1.00 0.00 C ATOM 358 CG PRO A 26 -6.510 -0.058 -2.649 1.00 0.00 C ATOM 359 CD PRO A 26 -7.280 1.174 -2.263 1.00 0.00 C ATOM 0 HA PRO A 26 -9.325 -0.199 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.086 -1.745 -3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.938 -0.251 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.437 -0.751 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.491 0.195 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.214 1.370 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.903 2.060 -2.773 1.00 0.00 H new ATOM 367 N ASP A 27 -10.160 -2.308 -3.509 1.00 0.00 N ATOM 368 CA ASP A 27 -10.851 -3.456 -2.934 1.00 0.00 C ATOM 369 C ASP A 27 -9.912 -4.653 -2.819 1.00 0.00 C ATOM 370 O ASP A 27 -8.908 -4.736 -3.525 1.00 0.00 O ATOM 371 CB ASP A 27 -12.067 -3.825 -3.784 1.00 0.00 C ATOM 372 CG ASP A 27 -13.005 -2.653 -3.992 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.808 -2.365 -3.079 1.00 0.00 O ATOM 374 OD2 ASP A 27 -12.937 -2.023 -5.068 1.00 0.00 O ATOM 0 H ASP A 27 -10.321 -2.176 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.187 -3.183 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.731 -4.194 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.609 -4.639 -3.303 1.00 0.00 H new ATOM 379 N GLU A 28 -10.247 -5.577 -1.923 1.00 0.00 N ATOM 380 CA GLU A 28 -9.432 -6.769 -1.715 1.00 0.00 C ATOM 381 C GLU A 28 -9.026 -7.390 -3.048 1.00 0.00 C ATOM 382 O GLU A 28 -7.874 -7.779 -3.240 1.00 0.00 O ATOM 383 CB GLU A 28 -10.195 -7.794 -0.874 1.00 0.00 C ATOM 384 CG GLU A 28 -11.506 -8.241 -1.499 1.00 0.00 C ATOM 385 CD GLU A 28 -12.241 -9.258 -0.649 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.836 -10.439 -0.651 1.00 0.00 O ATOM 387 OE2 GLU A 28 -13.223 -8.872 0.020 1.00 0.00 O ATOM 0 H GLU A 28 -11.076 -5.523 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.529 -6.472 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.561 -8.667 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.398 -7.367 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.146 -7.372 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.308 -8.669 -2.482 1.00 0.00 H new ATOM 394 N LYS A 29 -9.981 -7.479 -3.968 1.00 0.00 N ATOM 395 CA LYS A 29 -9.725 -8.052 -5.284 1.00 0.00 C ATOM 396 C LYS A 29 -8.741 -7.190 -6.070 1.00 0.00 C ATOM 397 O LYS A 29 -8.001 -7.691 -6.917 1.00 0.00 O ATOM 398 CB LYS A 29 -11.033 -8.193 -6.065 1.00 0.00 C ATOM 399 CG LYS A 29 -11.811 -9.452 -5.726 1.00 0.00 C ATOM 400 CD LYS A 29 -11.294 -10.653 -6.499 1.00 0.00 C ATOM 401 CE LYS A 29 -11.757 -10.624 -7.948 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.991 -11.581 -8.794 1.00 0.00 N ATOM 0 H LYS A 29 -10.940 -7.161 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.285 -9.039 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.660 -7.324 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.811 -8.189 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.739 -9.648 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.867 -9.300 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.205 -10.668 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.641 -11.570 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.819 -10.867 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.643 -9.616 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.336 -11.531 -9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.981 -11.334 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.120 -12.547 -8.430 1.00 0.00 H new ATOM 416 N ARG A 30 -8.738 -5.892 -5.784 1.00 0.00 N ATOM 417 CA ARG A 30 -7.846 -4.962 -6.464 1.00 0.00 C ATOM 418 C ARG A 30 -6.422 -5.086 -5.931 1.00 0.00 C ATOM 419 O ARG A 30 -5.466 -5.195 -6.701 1.00 0.00 O ATOM 420 CB ARG A 30 -8.343 -3.525 -6.290 1.00 0.00 C ATOM 421 CG ARG A 30 -7.862 -2.578 -7.377 1.00 0.00 C ATOM 422 CD ARG A 30 -6.529 -1.944 -7.013 1.00 0.00 C ATOM 423 NE ARG A 30 -5.397 -2.756 -7.453 1.00 0.00 N ATOM 424 CZ ARG A 30 -4.913 -2.733 -8.690 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.458 -1.942 -9.604 1.00 0.00 N ATOM 426 NH2 ARG A 30 -3.881 -3.501 -9.014 1.00 0.00 N ATOM 0 H ARG A 30 -9.344 -5.461 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.842 -5.212 -7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.433 -3.526 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.013 -3.150 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.763 -3.121 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.606 -1.797 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.463 -0.955 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.477 -1.805 -5.933 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.954 -3.374 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.251 -1.349 -9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.084 -1.926 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.458 -4.110 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.510 -3.483 -9.964 1.00 0.00 H new ATOM 440 N LEU A 31 -6.287 -5.070 -4.609 1.00 0.00 N ATOM 441 CA LEU A 31 -4.979 -5.180 -3.972 1.00 0.00 C ATOM 442 C LEU A 31 -4.264 -6.453 -4.414 1.00 0.00 C ATOM 443 O LEU A 31 -3.095 -6.419 -4.798 1.00 0.00 O ATOM 444 CB LEU A 31 -5.128 -5.168 -2.450 1.00 0.00 C ATOM 445 CG LEU A 31 -5.779 -3.921 -1.850 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.485 -4.262 -0.547 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.740 -2.832 -1.627 1.00 0.00 C ATOM 0 H LEU A 31 -7.067 -4.982 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.380 -4.323 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.715 -6.038 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.139 -5.286 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.522 -3.547 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.942 -3.363 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.257 -5.008 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.762 -4.661 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.221 -1.952 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.974 -3.195 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.280 -2.567 -2.579 1.00 0.00 H new ATOM 459 N GLU A 32 -4.976 -7.575 -4.359 1.00 0.00 N ATOM 460 CA GLU A 32 -4.409 -8.859 -4.755 1.00 0.00 C ATOM 461 C GLU A 32 -3.483 -8.697 -5.957 1.00 0.00 C ATOM 462 O GLU A 32 -2.476 -9.393 -6.077 1.00 0.00 O ATOM 463 CB GLU A 32 -5.523 -9.854 -5.085 1.00 0.00 C ATOM 464 CG GLU A 32 -6.148 -10.498 -3.859 1.00 0.00 C ATOM 465 CD GLU A 32 -7.019 -11.689 -4.206 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.138 -11.478 -4.718 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.581 -12.834 -3.965 1.00 0.00 O ATOM 0 H GLU A 32 -5.945 -7.620 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.826 -9.243 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.300 -9.341 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.121 -10.635 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.359 -10.816 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.747 -9.757 -3.329 1.00 0.00 H new ATOM 474 N GLY A 33 -3.833 -7.773 -6.846 1.00 0.00 N ATOM 475 CA GLY A 33 -3.025 -7.536 -8.028 1.00 0.00 C ATOM 476 C GLY A 33 -1.672 -6.938 -7.695 1.00 0.00 C ATOM 477 O GLY A 33 -0.652 -7.341 -8.254 1.00 0.00 O ATOM 0 H GLY A 33 -4.662 -7.184 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.882 -8.476 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.559 -6.866 -8.701 1.00 0.00 H new ATOM 481 N LEU A 34 -1.663 -5.972 -6.783 1.00 0.00 N ATOM 482 CA LEU A 34 -0.425 -5.315 -6.377 1.00 0.00 C ATOM 483 C LEU A 34 0.455 -6.263 -5.568 1.00 0.00 C ATOM 484 O LEU A 34 1.682 -6.216 -5.658 1.00 0.00 O ATOM 485 CB LEU A 34 -0.735 -4.063 -5.554 1.00 0.00 C ATOM 486 CG LEU A 34 -0.896 -2.764 -6.345 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.430 -1.657 -5.449 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.429 -2.354 -6.971 1.00 0.00 C ATOM 0 H LEU A 34 -2.498 -5.626 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 34 0.116 -5.026 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.652 -4.239 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.063 -3.925 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.616 -2.934 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.538 -0.740 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.400 -1.950 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.734 -1.487 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.296 -1.428 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.170 -2.201 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.771 -3.139 -7.645 1.00 0.00 H new ATOM 500 N SER A 35 -0.181 -7.126 -4.781 1.00 0.00 N ATOM 501 CA SER A 35 0.544 -8.084 -3.955 1.00 0.00 C ATOM 502 C SER A 35 1.714 -8.689 -4.725 1.00 0.00 C ATOM 503 O SER A 35 2.734 -9.057 -4.141 1.00 0.00 O ATOM 504 CB SER A 35 -0.396 -9.194 -3.480 1.00 0.00 C ATOM 505 OG SER A 35 0.327 -10.247 -2.866 1.00 0.00 O ATOM 0 H SER A 35 -1.196 -7.181 -4.698 1.00 0.00 H new ATOM 0 HA SER A 35 0.937 -7.554 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.119 -8.785 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.962 -9.583 -4.327 1.00 0.00 H new ATOM 0 HG SER A 35 0.987 -9.873 -2.245 1.00 0.00 H new ATOM 511 N LYS A 36 1.560 -8.789 -6.041 1.00 0.00 N ATOM 512 CA LYS A 36 2.602 -9.347 -6.894 1.00 0.00 C ATOM 513 C LYS A 36 3.766 -8.372 -7.040 1.00 0.00 C ATOM 514 O LYS A 36 4.867 -8.629 -6.552 1.00 0.00 O ATOM 515 CB LYS A 36 2.033 -9.688 -8.274 1.00 0.00 C ATOM 516 CG LYS A 36 3.057 -10.284 -9.224 1.00 0.00 C ATOM 517 CD LYS A 36 2.409 -11.231 -10.219 1.00 0.00 C ATOM 518 CE LYS A 36 3.439 -11.850 -11.152 1.00 0.00 C ATOM 519 NZ LYS A 36 2.800 -12.682 -12.210 1.00 0.00 N ATOM 0 H LYS A 36 0.722 -8.490 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 36 2.971 -10.259 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.209 -10.391 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.619 -8.784 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.566 -9.483 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.817 -10.818 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.882 -12.020 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.664 -10.692 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.028 -11.060 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.129 -12.464 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.535 -13.086 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.258 -13.451 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.160 -12.090 -12.778 1.00 0.00 H new ATOM 533 N GLN A 37 3.515 -7.254 -7.713 1.00 0.00 N ATOM 534 CA GLN A 37 4.543 -6.241 -7.921 1.00 0.00 C ATOM 535 C GLN A 37 5.208 -5.860 -6.602 1.00 0.00 C ATOM 536 O GLN A 37 6.434 -5.860 -6.490 1.00 0.00 O ATOM 537 CB GLN A 37 3.939 -4.999 -8.578 1.00 0.00 C ATOM 538 CG GLN A 37 3.087 -5.309 -9.798 1.00 0.00 C ATOM 539 CD GLN A 37 3.063 -4.170 -10.798 1.00 0.00 C ATOM 540 OE1 GLN A 37 3.964 -4.037 -11.627 1.00 0.00 O ATOM 541 NE2 GLN A 37 2.029 -3.340 -10.727 1.00 0.00 N ATOM 0 H GLN A 37 2.609 -7.027 -8.123 1.00 0.00 H new ATOM 0 HA GLN A 37 5.302 -6.661 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.330 -4.470 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.744 -4.325 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.469 -6.207 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.068 -5.529 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.304 -3.487 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.959 -2.555 -11.375 1.00 0.00 H new ATOM 550 N LEU A 38 4.391 -5.537 -5.605 1.00 0.00 N ATOM 551 CA LEU A 38 4.900 -5.154 -4.293 1.00 0.00 C ATOM 552 C LEU A 38 5.495 -6.357 -3.568 1.00 0.00 C ATOM 553 O LEU A 38 6.397 -6.212 -2.742 1.00 0.00 O ATOM 554 CB LEU A 38 3.781 -4.539 -3.450 1.00 0.00 C ATOM 555 CG LEU A 38 2.877 -3.534 -4.165 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.841 -2.971 -3.205 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.705 -2.413 -4.777 1.00 0.00 C ATOM 0 H LEU A 38 3.374 -5.533 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 38 5.687 -4.414 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.159 -5.346 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.232 -4.044 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 38 2.354 -4.052 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.207 -2.258 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.227 -3.783 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.345 -2.468 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.045 -1.707 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.256 -1.897 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.408 -2.831 -5.497 1.00 0.00 H new ATOM 569 N ASP A 39 4.987 -7.543 -3.883 1.00 0.00 N ATOM 570 CA ASP A 39 5.471 -8.771 -3.265 1.00 0.00 C ATOM 571 C ASP A 39 5.101 -8.817 -1.785 1.00 0.00 C ATOM 572 O ASP A 39 5.794 -9.441 -0.982 1.00 0.00 O ATOM 573 CB ASP A 39 6.988 -8.887 -3.428 1.00 0.00 C ATOM 574 CG ASP A 39 7.480 -10.312 -3.273 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.751 -11.239 -3.684 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.594 -10.501 -2.740 1.00 0.00 O ATOM 0 H ASP A 39 4.239 -7.680 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 39 4.994 -9.613 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.275 -8.512 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.479 -8.254 -2.689 1.00 0.00 H new ATOM 581 N TRP A 40 4.008 -8.151 -1.434 1.00 0.00 N ATOM 582 CA TRP A 40 3.547 -8.115 -0.050 1.00 0.00 C ATOM 583 C TRP A 40 2.201 -8.817 0.094 1.00 0.00 C ATOM 584 O TRP A 40 1.624 -9.280 -0.890 1.00 0.00 O ATOM 585 CB TRP A 40 3.436 -6.668 0.434 1.00 0.00 C ATOM 586 CG TRP A 40 4.614 -5.823 0.057 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.878 -6.258 -0.226 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.639 -4.398 -0.077 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.687 -5.189 -0.527 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.951 -4.037 -0.444 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.681 -3.392 0.075 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.325 -2.713 -0.659 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.055 -2.079 -0.139 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.367 -1.749 -0.503 1.00 0.00 C ATOM 0 H TRP A 40 3.424 -7.629 -2.087 1.00 0.00 H new ATOM 0 HA TRP A 40 4.277 -8.641 0.564 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.531 -6.223 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.327 -6.663 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.195 -7.290 -0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.675 -5.244 -0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.667 -3.636 0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.336 -2.456 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.323 -1.293 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.627 -0.713 -0.664 1.00 0.00 H new ATOM 605 N ASP A 41 1.707 -8.893 1.324 1.00 0.00 N ATOM 606 CA ASP A 41 0.428 -9.538 1.596 1.00 0.00 C ATOM 607 C ASP A 41 -0.728 -8.565 1.382 1.00 0.00 C ATOM 608 O ASP A 41 -0.622 -7.380 1.699 1.00 0.00 O ATOM 609 CB ASP A 41 0.398 -10.077 3.027 1.00 0.00 C ATOM 610 CG ASP A 41 1.535 -11.040 3.306 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.784 -11.927 2.462 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.178 -10.907 4.369 1.00 0.00 O ATOM 0 H ASP A 41 2.173 -8.516 2.149 1.00 0.00 H new ATOM 0 HA ASP A 41 0.314 -10.369 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.451 -9.244 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.553 -10.581 3.203 1.00 0.00 H new ATOM 617 N VAL A 42 -1.831 -9.074 0.842 1.00 0.00 N ATOM 618 CA VAL A 42 -3.006 -8.250 0.586 1.00 0.00 C ATOM 619 C VAL A 42 -3.235 -7.252 1.715 1.00 0.00 C ATOM 620 O VAL A 42 -3.659 -6.120 1.481 1.00 0.00 O ATOM 621 CB VAL A 42 -4.270 -9.114 0.415 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.487 -8.236 0.167 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.083 -10.113 -0.717 1.00 0.00 C ATOM 0 H VAL A 42 -1.935 -10.053 0.574 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.817 -7.708 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.436 -9.671 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.370 -8.864 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.630 -7.564 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.334 -7.650 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.985 -10.715 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.892 -9.578 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.238 -10.763 -0.492 1.00 0.00 H new ATOM 633 N ARG A 43 -2.951 -7.679 2.941 1.00 0.00 N ATOM 634 CA ARG A 43 -3.126 -6.822 4.108 1.00 0.00 C ATOM 635 C ARG A 43 -1.992 -5.806 4.212 1.00 0.00 C ATOM 636 O ARG A 43 -2.211 -4.653 4.585 1.00 0.00 O ATOM 637 CB ARG A 43 -3.186 -7.666 5.382 1.00 0.00 C ATOM 638 CG ARG A 43 -4.428 -8.538 5.477 1.00 0.00 C ATOM 639 CD ARG A 43 -4.287 -9.591 6.566 1.00 0.00 C ATOM 640 NE ARG A 43 -4.365 -9.008 7.903 1.00 0.00 N ATOM 641 CZ ARG A 43 -4.142 -9.695 9.018 1.00 0.00 C ATOM 642 NH1 ARG A 43 -3.830 -10.982 8.956 1.00 0.00 N ATOM 643 NH2 ARG A 43 -4.232 -9.095 10.198 1.00 0.00 N ATOM 0 H ARG A 43 -2.599 -8.613 3.152 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.066 -6.282 3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.302 -8.302 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.149 -7.005 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.297 -7.914 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.606 -9.026 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.071 -10.340 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.334 -10.107 6.450 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.604 -8.020 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.761 -11.447 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.659 -11.507 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.473 -8.105 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.061 -9.624 11.053 1.00 0.00 H new ATOM 657 N SER A 44 -0.782 -6.241 3.879 1.00 0.00 N ATOM 658 CA SER A 44 0.387 -5.371 3.939 1.00 0.00 C ATOM 659 C SER A 44 0.222 -4.175 3.006 1.00 0.00 C ATOM 660 O SER A 44 0.689 -3.075 3.302 1.00 0.00 O ATOM 661 CB SER A 44 1.650 -6.151 3.567 1.00 0.00 C ATOM 662 OG SER A 44 1.734 -7.363 4.297 1.00 0.00 O ATOM 0 H SER A 44 -0.585 -7.191 3.565 1.00 0.00 H new ATOM 0 HA SER A 44 0.483 -5.003 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.647 -6.366 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.531 -5.540 3.767 1.00 0.00 H new ATOM 0 HG SER A 44 2.548 -7.844 4.040 1.00 0.00 H new ATOM 668 N ILE A 45 -0.447 -4.398 1.880 1.00 0.00 N ATOM 669 CA ILE A 45 -0.675 -3.339 0.905 1.00 0.00 C ATOM 670 C ILE A 45 -1.555 -2.238 1.486 1.00 0.00 C ATOM 671 O ILE A 45 -1.153 -1.076 1.543 1.00 0.00 O ATOM 672 CB ILE A 45 -1.334 -3.886 -0.375 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.568 -5.107 -0.888 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.394 -2.804 -1.443 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.219 -5.770 -2.082 1.00 0.00 C ATOM 0 H ILE A 45 -0.841 -5.302 1.620 1.00 0.00 H new ATOM 0 HA ILE A 45 0.301 -2.925 0.653 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.353 -4.193 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.444 -4.804 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.479 -5.835 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.862 -3.205 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.979 -1.961 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.384 -2.469 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.622 -6.628 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.221 -6.104 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.284 -5.057 -2.904 1.00 0.00 H new ATOM 687 N GLN A 46 -2.755 -2.612 1.916 1.00 0.00 N ATOM 688 CA GLN A 46 -3.691 -1.654 2.494 1.00 0.00 C ATOM 689 C GLN A 46 -2.961 -0.633 3.359 1.00 0.00 C ATOM 690 O GLN A 46 -3.211 0.569 3.262 1.00 0.00 O ATOM 691 CB GLN A 46 -4.748 -2.382 3.327 1.00 0.00 C ATOM 692 CG GLN A 46 -5.979 -2.784 2.530 1.00 0.00 C ATOM 693 CD GLN A 46 -7.162 -3.124 3.416 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.821 -2.236 3.958 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.438 -4.414 3.566 1.00 0.00 N ATOM 0 H GLN A 46 -3.102 -3.570 1.876 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.182 -1.126 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.302 -3.275 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.054 -1.740 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.254 -1.970 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.738 -3.644 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.865 -5.116 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.223 -4.703 4.149 1.00 0.00 H new ATOM 704 N ARG A 47 -2.057 -1.118 4.205 1.00 0.00 N ATOM 705 CA ARG A 47 -1.291 -0.247 5.088 1.00 0.00 C ATOM 706 C ARG A 47 -0.760 0.965 4.329 1.00 0.00 C ATOM 707 O ARG A 47 -0.919 2.104 4.768 1.00 0.00 O ATOM 708 CB ARG A 47 -0.130 -1.018 5.718 1.00 0.00 C ATOM 709 CG ARG A 47 -0.521 -1.802 6.959 1.00 0.00 C ATOM 710 CD ARG A 47 -1.258 -3.083 6.600 1.00 0.00 C ATOM 711 NE ARG A 47 -1.741 -3.788 7.785 1.00 0.00 N ATOM 712 CZ ARG A 47 -0.952 -4.472 8.606 1.00 0.00 C ATOM 713 NH1 ARG A 47 0.351 -4.543 8.372 1.00 0.00 N ATOM 714 NH2 ARG A 47 -1.466 -5.086 9.664 1.00 0.00 N ATOM 0 H ARG A 47 -1.838 -2.110 4.297 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.955 0.104 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.282 -1.706 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.663 -0.316 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.373 -2.044 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.153 -1.184 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.101 -2.846 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.594 -3.737 6.035 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.739 -3.753 7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.750 -4.072 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.955 -5.069 9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.468 -5.033 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.859 -5.611 10.294 1.00 0.00 H new ATOM 728 N TRP A 48 -0.127 0.711 3.189 1.00 0.00 N ATOM 729 CA TRP A 48 0.429 1.782 2.369 1.00 0.00 C ATOM 730 C TRP A 48 -0.667 2.733 1.900 1.00 0.00 C ATOM 731 O TRP A 48 -0.445 3.938 1.779 1.00 0.00 O ATOM 732 CB TRP A 48 1.165 1.198 1.162 1.00 0.00 C ATOM 733 CG TRP A 48 1.760 2.242 0.267 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.075 2.604 0.192 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.062 3.061 -0.678 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.237 3.598 -0.743 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.017 3.895 -1.291 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.275 3.168 -1.067 1.00 0.00 C ATOM 739 CZ2 TRP A 48 1.674 4.824 -2.270 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.614 4.091 -2.038 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.357 4.908 -2.632 1.00 0.00 C ATOM 0 H TRP A 48 0.014 -0.226 2.812 1.00 0.00 H new ATOM 0 HA TRP A 48 1.136 2.344 2.980 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.957 0.537 1.514 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.472 0.586 0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.871 2.172 0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.122 4.042 -0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.030 2.541 -0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.421 5.456 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.645 4.184 -2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.060 5.618 -3.390 1.00 0.00 H new ATOM 752 N PHE A 49 -1.849 2.186 1.639 1.00 0.00 N ATOM 753 CA PHE A 49 -2.979 2.987 1.183 1.00 0.00 C ATOM 754 C PHE A 49 -3.564 3.804 2.331 1.00 0.00 C ATOM 755 O PHE A 49 -3.501 5.033 2.327 1.00 0.00 O ATOM 756 CB PHE A 49 -4.059 2.087 0.579 1.00 0.00 C ATOM 757 CG PHE A 49 -3.845 1.788 -0.877 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.343 2.637 -1.852 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.146 0.658 -1.271 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.149 2.364 -3.193 1.00 0.00 C ATOM 761 CE2 PHE A 49 -2.948 0.380 -2.610 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.449 1.235 -3.573 1.00 0.00 C ATOM 0 H PHE A 49 -2.050 1.191 1.735 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.620 3.675 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.091 1.149 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.031 2.565 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.889 3.522 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.751 -0.013 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.544 3.033 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.402 -0.505 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.294 1.021 -4.620 1.00 0.00 H new ATOM 772 N ARG A 50 -4.135 3.111 3.311 1.00 0.00 N ATOM 773 CA ARG A 50 -4.734 3.772 4.465 1.00 0.00 C ATOM 774 C ARG A 50 -3.837 4.896 4.974 1.00 0.00 C ATOM 775 O ARG A 50 -4.319 5.961 5.359 1.00 0.00 O ATOM 776 CB ARG A 50 -4.987 2.760 5.584 1.00 0.00 C ATOM 777 CG ARG A 50 -3.716 2.251 6.243 1.00 0.00 C ATOM 778 CD ARG A 50 -4.012 1.149 7.249 1.00 0.00 C ATOM 779 NE ARG A 50 -4.505 1.683 8.516 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.904 0.922 9.529 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.867 -0.400 9.424 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.340 1.482 10.650 1.00 0.00 N ATOM 0 H ARG A 50 -4.196 2.093 3.329 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.685 4.203 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.620 3.220 6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.540 1.913 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.035 1.875 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.209 3.076 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.751 0.466 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.107 0.569 7.428 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.545 2.696 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.532 -0.834 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.174 -0.982 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.369 2.498 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.646 0.896 11.427 1.00 0.00 H new ATOM 796 N GLN A 51 -2.531 4.650 4.973 1.00 0.00 N ATOM 797 CA GLN A 51 -1.567 5.642 5.436 1.00 0.00 C ATOM 798 C GLN A 51 -1.423 6.775 4.426 1.00 0.00 C ATOM 799 O GLN A 51 -1.404 7.949 4.794 1.00 0.00 O ATOM 800 CB GLN A 51 -0.207 4.986 5.682 1.00 0.00 C ATOM 801 CG GLN A 51 -0.088 4.324 7.045 1.00 0.00 C ATOM 802 CD GLN A 51 1.342 4.267 7.544 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.284 4.188 6.756 1.00 0.00 O ATOM 804 NE2 GLN A 51 1.512 4.308 8.861 1.00 0.00 N ATOM 0 H GLN A 51 -2.116 3.773 4.657 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.936 6.060 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.028 4.240 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.574 5.740 5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.698 4.870 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.490 3.312 6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.702 4.374 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.452 4.274 9.255 1.00 0.00 H new ATOM 813 N ARG A 52 -1.322 6.414 3.151 1.00 0.00 N ATOM 814 CA ARG A 52 -1.179 7.401 2.087 1.00 0.00 C ATOM 815 C ARG A 52 -2.137 8.569 2.296 1.00 0.00 C ATOM 816 O ARG A 52 -1.712 9.717 2.432 1.00 0.00 O ATOM 817 CB ARG A 52 -1.435 6.754 0.724 1.00 0.00 C ATOM 818 CG ARG A 52 -1.317 7.723 -0.441 1.00 0.00 C ATOM 819 CD ARG A 52 0.136 8.041 -0.756 1.00 0.00 C ATOM 820 NE ARG A 52 0.260 9.092 -1.762 1.00 0.00 N ATOM 821 CZ ARG A 52 0.079 10.382 -1.503 1.00 0.00 C ATOM 822 NH1 ARG A 52 -0.232 10.779 -0.277 1.00 0.00 N ATOM 823 NH2 ARG A 52 0.210 11.280 -2.472 1.00 0.00 N ATOM 0 H ARG A 52 -1.337 5.446 2.830 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.158 7.782 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.727 5.938 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.433 6.315 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.796 7.295 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.849 8.644 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.645 8.351 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.636 7.139 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 52 0.499 8.821 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.333 10.093 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.370 11.771 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.450 10.980 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.071 12.270 -2.272 1.00 0.00 H new ATOM 837 N ARG A 53 -3.432 8.269 2.319 1.00 0.00 N ATOM 838 CA ARG A 53 -4.450 9.295 2.510 1.00 0.00 C ATOM 839 C ARG A 53 -4.162 10.122 3.759 1.00 0.00 C ATOM 840 O ARG A 53 -4.280 11.347 3.745 1.00 0.00 O ATOM 841 CB ARG A 53 -5.835 8.654 2.619 1.00 0.00 C ATOM 842 CG ARG A 53 -6.357 8.104 1.301 1.00 0.00 C ATOM 843 CD ARG A 53 -7.786 7.601 1.434 1.00 0.00 C ATOM 844 NE ARG A 53 -8.697 8.654 1.876 1.00 0.00 N ATOM 845 CZ ARG A 53 -8.889 8.972 3.152 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.236 8.323 4.106 1.00 0.00 N ATOM 847 NH2 ARG A 53 -9.735 9.942 3.475 1.00 0.00 N ATOM 0 H ARG A 53 -3.800 7.324 2.208 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.429 9.957 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.796 7.846 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.540 9.394 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.313 8.881 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.714 7.291 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.123 7.209 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.815 6.775 2.144 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.214 9.174 1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.584 7.577 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.385 8.569 5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.238 10.444 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.882 10.185 4.455 1.00 0.00 H new ATOM 861 N ASN A 54 -3.783 9.444 4.837 1.00 0.00 N ATOM 862 CA ASN A 54 -3.478 10.117 6.095 1.00 0.00 C ATOM 863 C ASN A 54 -2.328 11.104 5.920 1.00 0.00 C ATOM 864 O ASN A 54 -2.337 12.190 6.498 1.00 0.00 O ATOM 865 CB ASN A 54 -3.124 9.091 7.173 1.00 0.00 C ATOM 866 CG ASN A 54 -4.342 8.616 7.942 1.00 0.00 C ATOM 867 OD1 ASN A 54 -5.265 9.387 8.203 1.00 0.00 O ATOM 868 ND2 ASN A 54 -4.349 7.340 8.309 1.00 0.00 N ATOM 0 H ASN A 54 -3.680 8.430 4.865 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.364 10.671 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.634 8.235 6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.408 9.530 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.142 6.963 8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.562 6.737 8.071 1.00 0.00 H new