USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 680 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 31 ASN :FLIP amide:sc= -1.17 F(o=-1.9!,f=-1.2) USER MOD Single : A 37 HIS : no HD1:sc= -9.94! C(o=-9.9!,f=-12!) USER MOD Single : B 31 ASN :FLIP amide:sc= -1.33 F(o=-2.8!,f=-1.3) USER MOD Single : B 37 HIS : no HD1:sc= -9.94! C(o=-9.9!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : C 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : D 31 ASN :FLIP amide:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : D 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -1.031 12.939 -5.216 1.00 0.00 N ATOM 108 CA VAL A 27 -1.738 12.450 -4.036 1.00 0.00 C ATOM 109 C VAL A 27 -2.975 11.655 -4.448 1.00 0.00 C ATOM 110 O VAL A 27 -3.226 10.568 -3.929 1.00 0.00 O ATOM 111 CB VAL A 27 -2.154 13.628 -3.154 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.985 13.119 -1.974 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.905 14.336 -2.626 1.00 0.00 C ATOM 0 HA VAL A 27 -1.070 11.796 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.749 14.326 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.280 13.960 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.876 12.614 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.391 12.419 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.201 15.176 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.310 13.636 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.312 14.702 -3.464 1.00 0.00 H new ATOM 123 N VAL A 28 -3.740 12.206 -5.383 1.00 0.00 N ATOM 124 CA VAL A 28 -4.948 11.540 -5.859 1.00 0.00 C ATOM 125 C VAL A 28 -4.593 10.232 -6.557 1.00 0.00 C ATOM 126 O VAL A 28 -5.233 9.203 -6.335 1.00 0.00 O ATOM 127 CB VAL A 28 -5.702 12.454 -6.827 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.904 11.706 -7.408 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.189 13.696 -6.079 1.00 0.00 C ATOM 0 H VAL A 28 -3.548 13.105 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.585 11.320 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.036 12.753 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.440 12.358 -8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.558 10.820 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.571 11.406 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.726 14.348 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.854 13.396 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.334 14.231 -5.666 1.00 0.00 H new ATOM 139 N ALA A 29 -3.566 10.278 -7.399 1.00 0.00 N ATOM 140 CA ALA A 29 -3.131 9.091 -8.127 1.00 0.00 C ATOM 141 C ALA A 29 -2.676 8.012 -7.147 1.00 0.00 C ATOM 142 O ALA A 29 -2.878 6.823 -7.375 1.00 0.00 O ATOM 143 CB ALA A 29 -1.982 9.443 -9.072 1.00 0.00 C ATOM 0 H ALA A 29 -3.022 11.119 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.971 8.714 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.666 8.549 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.316 10.197 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.144 9.835 -8.496 1.00 0.00 H new ATOM 149 N ALA A 30 -2.058 8.431 -6.053 1.00 0.00 N ATOM 150 CA ALA A 30 -1.596 7.478 -5.053 1.00 0.00 C ATOM 151 C ALA A 30 -2.783 6.874 -4.302 1.00 0.00 C ATOM 152 O ALA A 30 -2.801 5.678 -4.007 1.00 0.00 O ATOM 153 CB ALA A 30 -0.660 8.172 -4.062 1.00 0.00 C ATOM 0 H ALA A 30 -1.866 9.409 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.056 6.679 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.319 7.452 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.200 8.576 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.193 8.983 -3.565 1.00 0.00 H new ATOM 159 N ASN A 31 -3.766 7.716 -3.981 1.00 0.00 N ATOM 160 CA ASN A 31 -4.947 7.265 -3.247 1.00 0.00 C ATOM 161 C ASN A 31 -5.833 6.339 -4.085 1.00 0.00 C ATOM 162 O ASN A 31 -6.275 5.296 -3.604 1.00 0.00 O ATOM 163 CB ASN A 31 -5.767 8.474 -2.789 1.00 0.00 C ATOM 164 CG ASN A 31 -7.028 8.007 -2.072 1.00 0.00 C ATOM 165 OD1 ASN A 31 -6.934 7.453 -0.893 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -8.133 8.149 -2.599 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.768 8.708 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.595 6.698 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.170 9.098 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.034 9.089 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.207 8.582 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.973 7.834 -2.114 1.00 0.00 H new ATOM 173 N ILE A 32 -6.105 6.727 -5.329 1.00 0.00 N ATOM 174 CA ILE A 32 -6.956 5.923 -6.200 1.00 0.00 C ATOM 175 C ILE A 32 -6.293 4.581 -6.513 1.00 0.00 C ATOM 176 O ILE A 32 -6.945 3.538 -6.494 1.00 0.00 O ATOM 177 CB ILE A 32 -7.229 6.694 -7.494 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.333 6.003 -8.298 1.00 0.00 C ATOM 179 CG2 ILE A 32 -5.956 6.753 -8.336 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.773 6.926 -9.436 1.00 0.00 C ATOM 0 H ILE A 32 -5.752 7.585 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.899 5.724 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.549 7.704 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.970 5.057 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.180 5.771 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.154 7.302 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.171 7.258 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.634 5.741 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.560 6.441 -10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.151 7.860 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.922 7.135 -10.085 1.00 0.00 H new ATOM 192 N ILE A 33 -4.994 4.617 -6.784 1.00 0.00 N ATOM 193 CA ILE A 33 -4.254 3.398 -7.083 1.00 0.00 C ATOM 194 C ILE A 33 -4.240 2.466 -5.868 1.00 0.00 C ATOM 195 O ILE A 33 -4.434 1.259 -6.003 1.00 0.00 O ATOM 196 CB ILE A 33 -2.816 3.744 -7.500 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.829 4.416 -8.879 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.970 2.474 -7.562 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.448 5.009 -9.176 1.00 0.00 C ATOM 0 H ILE A 33 -4.435 5.470 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.749 2.884 -7.907 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.387 4.425 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.096 3.689 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.586 5.200 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.952 2.729 -7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.954 1.999 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.399 1.786 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.460 5.486 -10.156 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.199 5.749 -8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.702 4.215 -9.168 1.00 0.00 H new ATOM 211 N GLY A 34 -4.003 3.034 -4.691 1.00 0.00 N ATOM 212 CA GLY A 34 -3.963 2.234 -3.471 1.00 0.00 C ATOM 213 C GLY A 34 -5.317 1.591 -3.193 1.00 0.00 C ATOM 214 O GLY A 34 -5.400 0.402 -2.874 1.00 0.00 O ATOM 0 H GLY A 34 -3.838 4.031 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.201 1.460 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.676 2.863 -2.629 1.00 0.00 H new ATOM 218 N ILE A 35 -6.375 2.381 -3.322 1.00 0.00 N ATOM 219 CA ILE A 35 -7.726 1.887 -3.089 1.00 0.00 C ATOM 220 C ILE A 35 -8.086 0.818 -4.121 1.00 0.00 C ATOM 221 O ILE A 35 -8.668 -0.217 -3.784 1.00 0.00 O ATOM 222 CB ILE A 35 -8.719 3.050 -3.159 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.475 3.992 -1.976 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.151 2.512 -3.088 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.194 5.320 -2.213 1.00 0.00 C ATOM 0 H ILE A 35 -6.324 3.365 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.774 1.437 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.581 3.588 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.834 3.533 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.406 4.164 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.855 3.343 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.328 1.836 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.291 1.974 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.017 5.986 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.814 5.782 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.264 5.141 -2.315 1.00 0.00 H new ATOM 237 N LEU A 36 -7.730 1.073 -5.376 1.00 0.00 N ATOM 238 CA LEU A 36 -8.020 0.126 -6.447 1.00 0.00 C ATOM 239 C LEU A 36 -7.319 -1.197 -6.177 1.00 0.00 C ATOM 240 O LEU A 36 -7.890 -2.267 -6.387 1.00 0.00 O ATOM 241 CB LEU A 36 -7.552 0.698 -7.792 1.00 0.00 C ATOM 242 CG LEU A 36 -7.790 -0.317 -8.923 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.271 -0.720 -8.976 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.384 0.320 -10.256 1.00 0.00 C ATOM 0 H LEU A 36 -7.245 1.919 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.096 -0.044 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.088 1.622 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.493 0.949 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.192 -1.209 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.424 -1.439 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.559 -1.172 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.882 0.164 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.549 -0.392 -11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.984 1.213 -10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.329 0.593 -10.223 1.00 0.00 H new ATOM 256 N HIS A 37 -6.083 -1.120 -5.705 1.00 0.00 N ATOM 257 CA HIS A 37 -5.321 -2.324 -5.405 1.00 0.00 C ATOM 258 C HIS A 37 -6.061 -3.170 -4.388 1.00 0.00 C ATOM 259 O HIS A 37 -6.090 -4.399 -4.490 1.00 0.00 O ATOM 260 CB HIS A 37 -3.953 -1.946 -4.839 1.00 0.00 C ATOM 261 CG HIS A 37 -3.190 -3.201 -4.509 1.00 0.00 C ATOM 262 ND1 HIS A 37 -2.001 -3.532 -5.130 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.446 -4.221 -3.624 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.592 -4.705 -4.615 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.435 -5.165 -3.695 1.00 0.00 N ATOM 0 H HIS A 37 -5.590 -0.246 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.193 -2.893 -6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.399 -1.349 -5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.072 -1.333 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.305 -4.278 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.687 -5.213 -4.913 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.354 -6.028 -3.157 1.00 0.00 H new ATOM 273 N LEU A 38 -6.648 -2.516 -3.403 1.00 0.00 N ATOM 274 CA LEU A 38 -7.369 -3.226 -2.361 1.00 0.00 C ATOM 275 C LEU A 38 -8.513 -4.037 -2.960 1.00 0.00 C ATOM 276 O LEU A 38 -8.757 -5.167 -2.551 1.00 0.00 O ATOM 277 CB LEU A 38 -7.908 -2.211 -1.326 1.00 0.00 C ATOM 278 CG LEU A 38 -7.063 -2.252 -0.040 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.302 -0.980 0.766 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.444 -3.479 0.803 1.00 0.00 C ATOM 0 H LEU A 38 -6.641 -1.501 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.689 -3.918 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.889 -1.207 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.948 -2.439 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.009 -2.321 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.704 -1.009 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.016 -0.113 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.358 -0.908 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.840 -3.499 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.499 -3.423 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.263 -4.387 0.227 1.00 0.00 H new ATOM 292 N ILE A 39 -9.221 -3.462 -3.918 1.00 0.00 N ATOM 293 CA ILE A 39 -10.337 -4.173 -4.522 1.00 0.00 C ATOM 294 C ILE A 39 -9.852 -5.481 -5.148 1.00 0.00 C ATOM 295 O ILE A 39 -10.441 -6.537 -4.924 1.00 0.00 O ATOM 296 CB ILE A 39 -10.985 -3.297 -5.598 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.604 -2.057 -4.940 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.084 -4.086 -6.312 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.025 -1.051 -6.018 1.00 0.00 C ATOM 0 H ILE A 39 -9.050 -2.527 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.071 -4.401 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.227 -2.994 -6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.468 -2.345 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.885 -1.597 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.543 -3.460 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.652 -4.971 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.841 -4.390 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.464 -0.173 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.152 -0.752 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.759 -1.512 -6.679 1.00 0.00 H new ATOM 311 N LEU A 40 -8.773 -5.406 -5.920 1.00 0.00 N ATOM 312 CA LEU A 40 -8.224 -6.604 -6.555 1.00 0.00 C ATOM 313 C LEU A 40 -7.670 -7.582 -5.510 1.00 0.00 C ATOM 314 O LEU A 40 -7.881 -8.790 -5.613 1.00 0.00 O ATOM 315 CB LEU A 40 -7.120 -6.209 -7.549 1.00 0.00 C ATOM 316 CG LEU A 40 -7.736 -5.747 -8.882 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.378 -6.935 -9.631 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.796 -4.672 -8.607 1.00 0.00 C ATOM 0 H LEU A 40 -8.266 -4.544 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.029 -7.106 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.511 -5.410 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.458 -7.057 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.946 -5.334 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.807 -6.584 -10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.618 -7.688 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.163 -7.372 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.234 -4.343 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.577 -5.086 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.331 -3.822 -8.107 1.00 0.00 H new ATOM 330 N TRP A 41 -6.959 -7.060 -4.510 1.00 0.00 N ATOM 331 CA TRP A 41 -6.381 -7.914 -3.469 1.00 0.00 C ATOM 332 C TRP A 41 -7.483 -8.580 -2.645 1.00 0.00 C ATOM 333 O TRP A 41 -7.394 -9.766 -2.319 1.00 0.00 O ATOM 334 CB TRP A 41 -5.441 -7.091 -2.579 1.00 0.00 C ATOM 335 CG TRP A 41 -4.865 -7.944 -1.485 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.784 -8.759 -1.600 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.276 -8.021 -0.092 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.545 -9.358 -0.377 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.435 -8.930 0.584 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.300 -7.400 0.641 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.604 -9.210 1.933 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.466 -7.677 2.005 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.619 -8.581 2.645 1.00 0.00 C ATOM 0 H TRP A 41 -6.770 -6.064 -4.398 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.799 -8.705 -3.942 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.636 -6.671 -3.182 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.985 -6.252 -2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.206 -8.914 -2.499 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.801 -10.034 -0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.964 -6.704 0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.950 -9.913 2.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.252 -7.189 2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.752 -8.793 3.696 1.00 0.00 H new ATOM 354 N ILE A 42 -8.532 -7.823 -2.331 1.00 0.00 N ATOM 355 CA ILE A 42 -9.652 -8.372 -1.572 1.00 0.00 C ATOM 356 C ILE A 42 -10.338 -9.472 -2.375 1.00 0.00 C ATOM 357 O ILE A 42 -10.678 -10.531 -1.842 1.00 0.00 O ATOM 358 CB ILE A 42 -10.664 -7.261 -1.239 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.076 -6.316 -0.188 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.965 -7.871 -0.701 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.922 -5.042 -0.111 1.00 0.00 C ATOM 0 H ILE A 42 -8.630 -6.840 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.271 -8.794 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.879 -6.703 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.052 -6.808 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.047 -6.066 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.672 -7.074 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.396 -8.531 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.753 -8.442 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.502 -4.371 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.923 -4.547 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.944 -5.300 0.166 1.00 0.00 H new ATOM 373 N LEU A 43 -10.545 -9.212 -3.659 1.00 0.00 N ATOM 374 CA LEU A 43 -11.199 -10.176 -4.532 1.00 0.00 C ATOM 375 C LEU A 43 -10.351 -11.448 -4.650 1.00 0.00 C ATOM 376 O LEU A 43 -10.878 -12.556 -4.684 1.00 0.00 O ATOM 377 CB LEU A 43 -11.430 -9.551 -5.924 1.00 0.00 C ATOM 378 CG LEU A 43 -12.714 -10.113 -6.569 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.668 -11.647 -6.584 1.00 0.00 C ATOM 380 CD2 LEU A 43 -13.965 -9.630 -5.792 1.00 0.00 C ATOM 0 H LEU A 43 -10.270 -8.344 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.164 -10.445 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.507 -8.468 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.574 -9.757 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.776 -9.748 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.579 -12.034 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.804 -11.979 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.589 -12.019 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.862 -10.035 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.907 -9.974 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.006 -8.541 -5.810 1.00 0.00 H new ATOM 392 N ASP A 44 -9.034 -11.284 -4.719 1.00 0.00 N ATOM 393 CA ASP A 44 -8.144 -12.433 -4.845 1.00 0.00 C ATOM 394 C ASP A 44 -8.356 -13.397 -3.683 1.00 0.00 C ATOM 395 O ASP A 44 -8.372 -14.615 -3.868 1.00 0.00 O ATOM 396 CB ASP A 44 -6.684 -11.971 -4.866 1.00 0.00 C ATOM 397 CG ASP A 44 -5.755 -13.171 -5.016 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.246 -14.287 -4.973 1.00 0.00 O ATOM 399 OD2 ASP A 44 -4.563 -12.955 -5.173 1.00 0.00 O ATOM 0 H ASP A 44 -8.564 -10.379 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.373 -12.945 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.527 -11.275 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.451 -11.434 -3.946 1.00 0.00 H new ATOM 404 N ARG A 45 -8.529 -12.843 -2.490 1.00 0.00 N ATOM 405 CA ARG A 45 -8.750 -13.663 -1.302 1.00 0.00 C ATOM 406 C ARG A 45 -10.014 -14.505 -1.452 1.00 0.00 C ATOM 407 O ARG A 45 -10.165 -15.536 -0.796 1.00 0.00 O ATOM 408 CB ARG A 45 -8.876 -12.775 -0.063 1.00 0.00 C ATOM 409 CG ARG A 45 -7.512 -12.180 0.297 1.00 0.00 C ATOM 410 CD ARG A 45 -7.674 -11.220 1.479 1.00 0.00 C ATOM 411 NE ARG A 45 -8.149 -11.946 2.653 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.468 -11.308 3.775 1.00 0.00 C ATOM 413 NH1 ARG A 45 -8.346 -10.009 3.844 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.902 -11.978 4.805 1.00 0.00 N ATOM 0 H ARG A 45 -8.521 -11.838 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.894 -14.328 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.593 -11.975 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.260 -13.358 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.812 -12.975 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.095 -11.652 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.721 -10.739 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.378 -10.429 1.221 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.238 -12.961 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.006 -9.485 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.591 -9.519 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.997 -12.992 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.147 -11.488 5.666 1.00 0.00 H new ATOM 617 N VAL B 27 6.634 12.329 0.017 1.00 0.00 N ATOM 618 CA VAL B 27 5.415 12.038 -0.728 1.00 0.00 C ATOM 619 C VAL B 27 5.743 11.301 -2.024 1.00 0.00 C ATOM 620 O VAL B 27 5.105 10.303 -2.361 1.00 0.00 O ATOM 621 CB VAL B 27 4.679 13.341 -1.051 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.453 13.039 -1.917 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.231 14.009 0.250 1.00 0.00 C ATOM 0 HA VAL B 27 4.777 11.403 -0.114 1.00 0.00 H new ATOM 0 HB VAL B 27 5.349 14.009 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.931 13.968 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.771 12.564 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.783 12.369 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.707 14.937 0.021 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.563 13.339 0.792 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.103 14.228 0.866 1.00 0.00 H new ATOM 633 N VAL B 28 6.744 11.797 -2.743 1.00 0.00 N ATOM 634 CA VAL B 28 7.153 11.176 -3.997 1.00 0.00 C ATOM 635 C VAL B 28 7.692 9.772 -3.745 1.00 0.00 C ATOM 636 O VAL B 28 7.361 8.830 -4.466 1.00 0.00 O ATOM 637 CB VAL B 28 8.229 12.027 -4.673 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.734 11.312 -5.929 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.635 13.382 -5.062 1.00 0.00 C ATOM 0 H VAL B 28 7.284 12.622 -2.481 1.00 0.00 H new ATOM 0 HA VAL B 28 6.283 11.107 -4.650 1.00 0.00 H new ATOM 0 HB VAL B 28 9.060 12.177 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.501 11.919 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.157 10.346 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.905 11.161 -6.620 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.401 13.990 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.804 13.231 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.276 13.892 -4.168 1.00 0.00 H new ATOM 649 N ALA B 29 8.523 9.638 -2.715 1.00 0.00 N ATOM 650 CA ALA B 29 9.101 8.345 -2.374 1.00 0.00 C ATOM 651 C ALA B 29 7.999 7.354 -2.010 1.00 0.00 C ATOM 652 O ALA B 29 8.091 6.167 -2.304 1.00 0.00 O ATOM 653 CB ALA B 29 10.069 8.494 -1.201 1.00 0.00 C ATOM 0 H ALA B 29 8.809 10.405 -2.106 1.00 0.00 H new ATOM 0 HA ALA B 29 9.645 7.968 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.495 7.521 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.869 9.182 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.534 8.885 -0.336 1.00 0.00 H new ATOM 659 N ALA B 30 6.954 7.848 -1.363 1.00 0.00 N ATOM 660 CA ALA B 30 5.846 6.986 -0.979 1.00 0.00 C ATOM 661 C ALA B 30 5.044 6.567 -2.211 1.00 0.00 C ATOM 662 O ALA B 30 4.614 5.419 -2.324 1.00 0.00 O ATOM 663 CB ALA B 30 4.932 7.715 0.008 1.00 0.00 C ATOM 0 H ALA B 30 6.850 8.827 -1.096 1.00 0.00 H new ATOM 0 HA ALA B 30 6.251 6.094 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.106 7.062 0.289 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.500 7.986 0.898 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.538 8.617 -0.459 1.00 0.00 H new ATOM 669 N ASN B 31 4.832 7.516 -3.125 1.00 0.00 N ATOM 670 CA ASN B 31 4.063 7.246 -4.340 1.00 0.00 C ATOM 671 C ASN B 31 4.799 6.302 -5.294 1.00 0.00 C ATOM 672 O ASN B 31 4.205 5.361 -5.820 1.00 0.00 O ATOM 673 CB ASN B 31 3.760 8.562 -5.062 1.00 0.00 C ATOM 674 CG ASN B 31 3.007 8.282 -6.359 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.771 7.865 -6.308 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 3.559 8.446 -7.446 1.00 0.00 N flip ATOM 0 H ASN B 31 5.180 8.472 -3.048 1.00 0.00 H new ATOM 0 HA ASN B 31 3.137 6.757 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.165 9.211 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.689 9.091 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN B 31 4.525 8.772 -7.484 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.051 8.256 -8.310 1.00 0.00 H new ATOM 683 N ILE B 32 6.084 6.562 -5.531 1.00 0.00 N ATOM 684 CA ILE B 32 6.863 5.729 -6.442 1.00 0.00 C ATOM 685 C ILE B 32 7.011 4.313 -5.886 1.00 0.00 C ATOM 686 O ILE B 32 6.881 3.334 -6.621 1.00 0.00 O ATOM 687 CB ILE B 32 8.241 6.366 -6.650 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.971 5.676 -7.805 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.069 6.225 -5.375 1.00 0.00 C ATOM 690 CD1 ILE B 32 10.214 6.491 -8.168 1.00 0.00 C ATOM 0 H ILE B 32 6.602 7.334 -5.110 1.00 0.00 H new ATOM 0 HA ILE B 32 6.344 5.662 -7.398 1.00 0.00 H new ATOM 0 HB ILE B 32 8.109 7.421 -6.888 1.00 0.00 H new ATOM 0 HG12 ILE B 32 9.255 4.663 -7.519 1.00 0.00 H new ATOM 0 HG13 ILE B 32 8.312 5.590 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.049 6.679 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE B 32 8.559 6.727 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE B 32 9.191 5.169 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE B 32 10.740 6.006 -8.990 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.915 7.495 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.874 6.554 -7.302 1.00 0.00 H new ATOM 702 N ILE B 33 7.271 4.214 -4.588 1.00 0.00 N ATOM 703 CA ILE B 33 7.418 2.913 -3.945 1.00 0.00 C ATOM 704 C ILE B 33 6.105 2.133 -4.007 1.00 0.00 C ATOM 705 O ILE B 33 6.098 0.936 -4.298 1.00 0.00 O ATOM 706 CB ILE B 33 7.857 3.093 -2.485 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.301 3.602 -2.441 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.768 1.758 -1.743 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.652 4.048 -1.019 1.00 0.00 C ATOM 0 H ILE B 33 7.384 5.012 -3.963 1.00 0.00 H new ATOM 0 HA ILE B 33 8.182 2.347 -4.478 1.00 0.00 H new ATOM 0 HB ILE B 33 7.199 3.816 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.983 2.816 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.424 4.435 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.081 1.895 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.740 1.397 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.419 1.029 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.680 4.409 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.979 4.849 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.547 3.204 -0.337 1.00 0.00 H new ATOM 721 N GLY B 34 4.998 2.813 -3.729 1.00 0.00 N ATOM 722 CA GLY B 34 3.692 2.161 -3.755 1.00 0.00 C ATOM 723 C GLY B 34 3.358 1.664 -5.157 1.00 0.00 C ATOM 724 O GLY B 34 2.904 0.532 -5.336 1.00 0.00 O ATOM 0 H GLY B 34 4.977 3.803 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.686 1.324 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.926 2.860 -3.421 1.00 0.00 H new ATOM 728 N ILE B 35 3.589 2.515 -6.149 1.00 0.00 N ATOM 729 CA ILE B 35 3.315 2.159 -7.535 1.00 0.00 C ATOM 730 C ILE B 35 4.218 1.008 -7.977 1.00 0.00 C ATOM 731 O ILE B 35 3.772 0.069 -8.639 1.00 0.00 O ATOM 732 CB ILE B 35 3.531 3.380 -8.434 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.462 4.432 -8.117 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.413 2.969 -9.904 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.860 5.775 -8.728 1.00 0.00 C ATOM 0 H ILE B 35 3.965 3.454 -6.020 1.00 0.00 H new ATOM 0 HA ILE B 35 2.278 1.834 -7.620 1.00 0.00 H new ATOM 0 HB ILE B 35 4.524 3.792 -8.253 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.497 4.114 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.347 4.533 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.567 3.841 -10.539 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.167 2.215 -10.133 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.421 2.557 -10.088 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.097 6.519 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.815 6.095 -8.312 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.952 5.670 -9.809 1.00 0.00 H new ATOM 747 N LEU B 36 5.491 1.088 -7.602 1.00 0.00 N ATOM 748 CA LEU B 36 6.449 0.049 -7.962 1.00 0.00 C ATOM 749 C LEU B 36 6.020 -1.286 -7.367 1.00 0.00 C ATOM 750 O LEU B 36 6.110 -2.326 -8.020 1.00 0.00 O ATOM 751 CB LEU B 36 7.846 0.421 -7.450 1.00 0.00 C ATOM 752 CG LEU B 36 8.854 -0.696 -7.764 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.877 -0.986 -9.274 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.247 -0.253 -7.307 1.00 0.00 C ATOM 0 H LEU B 36 5.881 1.855 -7.054 1.00 0.00 H new ATOM 0 HA LEU B 36 6.480 -0.039 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.172 1.353 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.811 0.594 -6.374 1.00 0.00 H new ATOM 0 HG LEU B 36 8.559 -1.604 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.595 -1.779 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.885 -1.301 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.167 -0.084 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.969 -1.040 -7.526 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.531 0.657 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.234 -0.061 -6.234 1.00 0.00 H new ATOM 766 N HIS B 37 5.545 -1.250 -6.130 1.00 0.00 N ATOM 767 CA HIS B 37 5.100 -2.466 -5.464 1.00 0.00 C ATOM 768 C HIS B 37 4.002 -3.130 -6.271 1.00 0.00 C ATOM 769 O HIS B 37 3.959 -4.356 -6.394 1.00 0.00 O ATOM 770 CB HIS B 37 4.567 -2.135 -4.070 1.00 0.00 C ATOM 771 CG HIS B 37 4.086 -3.398 -3.414 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.655 -3.899 -2.258 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.087 -4.281 -3.750 1.00 0.00 C ATOM 774 CE1 HIS B 37 4.003 -5.034 -1.947 1.00 0.00 C ATOM 775 NE2 HIS B 37 3.039 -5.311 -2.823 1.00 0.00 N ATOM 0 H HIS B 37 5.458 -0.401 -5.572 1.00 0.00 H new ATOM 0 HA HIS B 37 5.949 -3.145 -5.378 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.350 -1.673 -3.468 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.752 -1.414 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.437 -4.186 -4.607 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.234 -5.648 -1.089 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.403 -6.108 -2.814 1.00 0.00 H new ATOM 783 N LEU B 38 3.105 -2.322 -6.810 1.00 0.00 N ATOM 784 CA LEU B 38 1.996 -2.849 -7.588 1.00 0.00 C ATOM 785 C LEU B 38 2.510 -3.631 -8.791 1.00 0.00 C ATOM 786 O LEU B 38 1.977 -4.684 -9.122 1.00 0.00 O ATOM 787 CB LEU B 38 1.091 -1.681 -8.047 1.00 0.00 C ATOM 788 CG LEU B 38 -0.199 -1.638 -7.208 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.846 -0.265 -7.347 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.178 -2.722 -7.685 1.00 0.00 C ATOM 0 H LEU B 38 3.122 -1.306 -6.725 1.00 0.00 H new ATOM 0 HA LEU B 38 1.415 -3.531 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.627 -0.737 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.842 -1.798 -9.102 1.00 0.00 H new ATOM 0 HG LEU B 38 0.048 -1.823 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.760 -0.232 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.155 0.500 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.086 -0.080 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.086 -2.682 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.428 -2.551 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.715 -3.703 -7.578 1.00 0.00 H new ATOM 802 N ILE B 39 3.536 -3.118 -9.448 1.00 0.00 N ATOM 803 CA ILE B 39 4.064 -3.803 -10.617 1.00 0.00 C ATOM 804 C ILE B 39 4.530 -5.207 -10.237 1.00 0.00 C ATOM 805 O ILE B 39 4.193 -6.183 -10.909 1.00 0.00 O ATOM 806 CB ILE B 39 5.241 -3.008 -11.193 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.740 -1.656 -11.712 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.870 -3.788 -12.351 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.930 -0.751 -12.050 1.00 0.00 C ATOM 0 H ILE B 39 4.011 -2.250 -9.201 1.00 0.00 H new ATOM 0 HA ILE B 39 3.277 -3.881 -11.367 1.00 0.00 H new ATOM 0 HB ILE B 39 5.984 -2.850 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.122 -1.803 -12.597 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.111 -1.179 -10.960 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.707 -3.221 -12.759 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.227 -4.752 -11.989 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.125 -3.947 -13.130 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.565 0.208 -12.418 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.531 -0.591 -11.155 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.541 -1.225 -12.818 1.00 0.00 H new ATOM 821 N LEU B 40 5.293 -5.310 -9.155 1.00 0.00 N ATOM 822 CA LEU B 40 5.780 -6.610 -8.703 1.00 0.00 C ATOM 823 C LEU B 40 4.622 -7.502 -8.229 1.00 0.00 C ATOM 824 O LEU B 40 4.588 -8.694 -8.534 1.00 0.00 O ATOM 825 CB LEU B 40 6.803 -6.424 -7.570 1.00 0.00 C ATOM 826 CG LEU B 40 8.185 -6.070 -8.148 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.802 -7.282 -8.882 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.048 -4.891 -9.117 1.00 0.00 C ATOM 0 H LEU B 40 5.586 -4.520 -8.580 1.00 0.00 H new ATOM 0 HA LEU B 40 6.263 -7.104 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.470 -5.634 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.872 -7.338 -6.980 1.00 0.00 H new ATOM 0 HG LEU B 40 8.846 -5.795 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.778 -7.007 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.916 -8.111 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.147 -7.584 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.027 -4.641 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.374 -5.164 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.645 -4.028 -8.586 1.00 0.00 H new ATOM 840 N TRP B 41 3.682 -6.925 -7.478 1.00 0.00 N ATOM 841 CA TRP B 41 2.542 -7.695 -6.974 1.00 0.00 C ATOM 842 C TRP B 41 1.659 -8.171 -8.127 1.00 0.00 C ATOM 843 O TRP B 41 1.197 -9.314 -8.133 1.00 0.00 O ATOM 844 CB TRP B 41 1.743 -6.853 -5.971 1.00 0.00 C ATOM 845 CG TRP B 41 0.549 -7.616 -5.468 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.557 -8.519 -4.457 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.839 -7.495 -5.886 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.730 -8.990 -4.268 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.624 -8.382 -5.121 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.484 -6.713 -6.858 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.997 -8.488 -5.314 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.868 -6.814 -7.045 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.620 -7.700 -6.275 1.00 0.00 C ATOM 0 H TRP B 41 3.686 -5.941 -7.208 1.00 0.00 H new ATOM 0 HA TRP B 41 2.914 -8.580 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.382 -6.574 -5.133 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.416 -5.927 -6.445 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.426 -8.821 -3.892 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.985 -9.700 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.909 -6.029 -7.465 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.577 -9.179 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.355 -6.202 -7.790 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.687 -7.774 -6.425 1.00 0.00 H new ATOM 864 N ILE B 42 1.446 -7.304 -9.112 1.00 0.00 N ATOM 865 CA ILE B 42 0.641 -7.671 -10.274 1.00 0.00 C ATOM 866 C ILE B 42 1.318 -8.799 -11.043 1.00 0.00 C ATOM 867 O ILE B 42 0.667 -9.757 -11.468 1.00 0.00 O ATOM 868 CB ILE B 42 0.450 -6.453 -11.195 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.492 -5.441 -10.534 1.00 0.00 C ATOM 870 CG2 ILE B 42 -0.140 -6.890 -12.541 1.00 0.00 C ATOM 871 CD1 ILE B 42 -0.412 -4.103 -11.277 1.00 0.00 C ATOM 0 H ILE B 42 1.814 -6.353 -9.131 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.336 -8.010 -9.929 1.00 0.00 H new ATOM 0 HB ILE B 42 1.423 -5.991 -11.364 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.515 -5.817 -10.550 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.219 -5.304 -9.488 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -0.269 -6.018 -13.182 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.536 -7.597 -13.022 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.107 -7.366 -12.377 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.083 -3.384 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE B 42 0.610 -3.726 -11.238 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.706 -4.246 -12.317 1.00 0.00 H new ATOM 883 N LEU B 43 2.627 -8.675 -11.226 1.00 0.00 N ATOM 884 CA LEU B 43 3.388 -9.681 -11.953 1.00 0.00 C ATOM 885 C LEU B 43 3.349 -11.020 -11.209 1.00 0.00 C ATOM 886 O LEU B 43 3.260 -12.079 -11.822 1.00 0.00 O ATOM 887 CB LEU B 43 4.845 -9.206 -12.130 1.00 0.00 C ATOM 888 CG LEU B 43 5.436 -9.735 -13.454 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.270 -11.259 -13.531 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.732 -9.068 -14.663 1.00 0.00 C ATOM 0 H LEU B 43 3.181 -7.891 -10.882 1.00 0.00 H new ATOM 0 HA LEU B 43 2.940 -9.822 -12.937 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.881 -8.117 -12.120 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.450 -9.553 -11.292 1.00 0.00 H new ATOM 0 HG LEU B 43 6.497 -9.488 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.690 -11.624 -14.468 1.00 0.00 H new ATOM 0 HD12 LEU B 43 5.791 -11.724 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.211 -11.512 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.159 -9.451 -15.590 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.666 -9.295 -14.634 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.874 -7.988 -14.617 1.00 0.00 H new ATOM 902 N ASP B 44 3.421 -10.967 -9.884 1.00 0.00 N ATOM 903 CA ASP B 44 3.403 -12.191 -9.086 1.00 0.00 C ATOM 904 C ASP B 44 2.139 -12.993 -9.377 1.00 0.00 C ATOM 905 O ASP B 44 2.182 -14.218 -9.489 1.00 0.00 O ATOM 906 CB ASP B 44 3.461 -11.850 -7.595 1.00 0.00 C ATOM 907 CG ASP B 44 3.461 -13.129 -6.762 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.296 -14.190 -7.340 1.00 0.00 O ATOM 909 OD2 ASP B 44 3.629 -13.027 -5.558 1.00 0.00 O ATOM 0 H ASP B 44 3.491 -10.104 -9.344 1.00 0.00 H new ATOM 0 HA ASP B 44 4.275 -12.789 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.358 -11.269 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.607 -11.230 -7.323 1.00 0.00 H new ATOM 914 N ARG B 45 1.020 -12.292 -9.505 1.00 0.00 N ATOM 915 CA ARG B 45 -0.251 -12.948 -9.793 1.00 0.00 C ATOM 916 C ARG B 45 -0.187 -13.700 -11.122 1.00 0.00 C ATOM 917 O ARG B 45 -0.957 -14.632 -11.353 1.00 0.00 O ATOM 918 CB ARG B 45 -1.379 -11.914 -9.851 1.00 0.00 C ATOM 919 CG ARG B 45 -1.681 -11.390 -8.445 1.00 0.00 C ATOM 920 CD ARG B 45 -2.742 -10.291 -8.532 1.00 0.00 C ATOM 921 NE ARG B 45 -3.987 -10.834 -9.065 1.00 0.00 N ATOM 922 CZ ARG B 45 -5.023 -10.048 -9.333 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.945 -8.763 -9.111 1.00 0.00 N ATOM 924 NH2 ARG B 45 -6.120 -10.557 -9.822 1.00 0.00 N ATOM 0 H ARG B 45 0.965 -11.277 -9.415 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.450 -13.661 -8.993 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.093 -11.088 -10.502 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.274 -12.364 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.034 -12.202 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.772 -10.999 -7.987 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.916 -9.864 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -2.387 -9.482 -9.170 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.063 -11.837 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.087 -8.362 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -5.742 -8.161 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.182 -11.560 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.915 -9.952 -10.028 1.00 0.00 H new ATOM 1127 N VAL C 27 1.417 11.484 8.091 1.00 0.00 N ATOM 1128 CA VAL C 27 2.111 11.237 6.831 1.00 0.00 C ATOM 1129 C VAL C 27 3.319 10.333 7.054 1.00 0.00 C ATOM 1130 O VAL C 27 3.535 9.374 6.312 1.00 0.00 O ATOM 1131 CB VAL C 27 2.571 12.564 6.222 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.388 12.294 4.956 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.348 13.412 5.864 1.00 0.00 C ATOM 0 HA VAL C 27 1.421 10.742 6.147 1.00 0.00 H new ATOM 0 HB VAL C 27 3.188 13.098 6.945 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.714 13.240 4.525 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.260 11.690 5.208 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.772 11.759 4.233 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.675 14.357 5.430 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.732 12.875 5.142 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.765 13.608 6.764 1.00 0.00 H new ATOM 1143 N VAL C 28 4.100 10.640 8.084 1.00 0.00 N ATOM 1144 CA VAL C 28 5.283 9.846 8.399 1.00 0.00 C ATOM 1145 C VAL C 28 4.881 8.431 8.798 1.00 0.00 C ATOM 1146 O VAL C 28 5.486 7.455 8.358 1.00 0.00 O ATOM 1147 CB VAL C 28 6.063 10.502 9.539 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.236 9.607 9.941 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.595 11.862 9.077 1.00 0.00 C ATOM 0 H VAL C 28 3.937 11.427 8.712 1.00 0.00 H new ATOM 0 HA VAL C 28 5.915 9.796 7.513 1.00 0.00 H new ATOM 0 HB VAL C 28 5.403 10.640 10.395 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.790 10.077 10.754 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.859 8.639 10.271 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.896 9.466 9.085 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.151 12.330 9.889 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.253 11.723 8.219 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.760 12.502 8.793 1.00 0.00 H new ATOM 1159 N ALA C 29 3.852 8.328 9.636 1.00 0.00 N ATOM 1160 CA ALA C 29 3.375 7.027 10.088 1.00 0.00 C ATOM 1161 C ALA C 29 2.888 6.202 8.902 1.00 0.00 C ATOM 1162 O ALA C 29 3.047 4.986 8.867 1.00 0.00 O ATOM 1163 CB ALA C 29 2.237 7.205 11.094 1.00 0.00 C ATOM 0 H ALA C 29 3.337 9.124 10.012 1.00 0.00 H new ATOM 0 HA ALA C 29 4.200 6.503 10.570 1.00 0.00 H new ATOM 0 HB1 ALA C 29 1.888 6.227 11.425 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.596 7.772 11.953 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.415 7.743 10.622 1.00 0.00 H new ATOM 1169 N ALA C 30 2.287 6.867 7.927 1.00 0.00 N ATOM 1170 CA ALA C 30 1.796 6.171 6.748 1.00 0.00 C ATOM 1171 C ALA C 30 2.963 5.702 5.878 1.00 0.00 C ATOM 1172 O ALA C 30 2.940 4.599 5.333 1.00 0.00 O ATOM 1173 CB ALA C 30 0.887 7.095 5.934 1.00 0.00 C ATOM 0 H ALA C 30 2.129 7.875 7.928 1.00 0.00 H new ATOM 0 HA ALA C 30 1.227 5.300 7.074 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.524 6.565 5.053 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.040 7.404 6.546 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.449 7.975 5.622 1.00 0.00 H new ATOM 1179 N ASN C 31 3.974 6.559 5.741 1.00 0.00 N ATOM 1180 CA ASN C 31 5.141 6.238 4.921 1.00 0.00 C ATOM 1181 C ASN C 31 5.994 5.124 5.536 1.00 0.00 C ATOM 1182 O ASN C 31 6.402 4.195 4.840 1.00 0.00 O ATOM 1183 CB ASN C 31 6.003 7.489 4.732 1.00 0.00 C ATOM 1184 CG ASN C 31 7.253 7.146 3.928 1.00 0.00 C ATOM 1185 OD1 ASN C 31 8.357 7.132 4.471 1.00 0.00 O ATOM 1186 ND2 ASN C 31 7.146 6.865 2.657 1.00 0.00 N ATOM 0 H ASN C 31 4.009 7.477 6.185 1.00 0.00 H new ATOM 0 HA ASN C 31 4.772 5.883 3.959 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.430 8.261 4.218 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.286 7.896 5.703 1.00 0.00 H new ATOM 0 HD21 ASN C 31 7.978 6.634 2.114 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.231 6.877 2.207 1.00 0.00 H new ATOM 1193 N ILE C 32 6.275 5.224 6.836 1.00 0.00 N ATOM 1194 CA ILE C 32 7.096 4.222 7.507 1.00 0.00 C ATOM 1195 C ILE C 32 6.389 2.870 7.524 1.00 0.00 C ATOM 1196 O ILE C 32 7.005 1.833 7.280 1.00 0.00 O ATOM 1197 CB ILE C 32 7.391 4.687 8.938 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.469 3.802 9.567 1.00 0.00 C ATOM 1199 CG2 ILE C 32 6.119 4.605 9.778 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.935 4.440 10.877 1.00 0.00 C ATOM 0 H ILE C 32 5.949 5.981 7.437 1.00 0.00 H new ATOM 0 HA ILE C 32 8.033 4.105 6.963 1.00 0.00 H new ATOM 0 HB ILE C 32 7.745 5.718 8.907 1.00 0.00 H new ATOM 0 HG12 ILE C 32 8.074 2.803 9.754 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.310 3.689 8.883 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.332 4.936 10.794 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.353 5.245 9.341 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.763 3.575 9.799 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.704 3.816 11.332 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.344 5.430 10.674 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.089 4.530 11.559 1.00 0.00 H new ATOM 1212 N ILE C 33 5.089 2.889 7.803 1.00 0.00 N ATOM 1213 CA ILE C 33 4.308 1.659 7.834 1.00 0.00 C ATOM 1214 C ILE C 33 4.266 1.015 6.449 1.00 0.00 C ATOM 1215 O ILE C 33 4.420 -0.199 6.315 1.00 0.00 O ATOM 1216 CB ILE C 33 2.882 1.955 8.323 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.912 2.313 9.813 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.992 0.728 8.113 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.551 2.874 10.238 1.00 0.00 C ATOM 0 H ILE C 33 4.559 3.736 8.009 1.00 0.00 H new ATOM 0 HA ILE C 33 4.783 0.962 8.524 1.00 0.00 H new ATOM 0 HB ILE C 33 2.479 2.793 7.754 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.152 1.429 10.404 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.694 3.047 10.005 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.983 0.946 8.462 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.963 0.477 7.053 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.396 -0.115 8.674 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.577 3.127 11.298 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.329 3.769 9.656 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.778 2.126 10.062 1.00 0.00 H new ATOM 1231 N GLY C 34 4.054 1.830 5.421 1.00 0.00 N ATOM 1232 CA GLY C 34 3.991 1.317 4.056 1.00 0.00 C ATOM 1233 C GLY C 34 5.324 0.704 3.642 1.00 0.00 C ATOM 1234 O GLY C 34 5.368 -0.388 3.073 1.00 0.00 O ATOM 0 H GLY C 34 3.924 2.838 5.504 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.203 0.568 3.981 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.729 2.124 3.372 1.00 0.00 H new ATOM 1238 N ILE C 35 6.407 1.412 3.935 1.00 0.00 N ATOM 1239 CA ILE C 35 7.742 0.935 3.594 1.00 0.00 C ATOM 1240 C ILE C 35 8.060 -0.343 4.367 1.00 0.00 C ATOM 1241 O ILE C 35 8.607 -1.301 3.813 1.00 0.00 O ATOM 1242 CB ILE C 35 8.774 2.020 3.912 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.566 3.204 2.960 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.186 1.461 3.719 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.332 4.423 3.478 1.00 0.00 C ATOM 0 H ILE C 35 6.388 2.316 4.407 1.00 0.00 H new ATOM 0 HA ILE C 35 7.779 0.711 2.528 1.00 0.00 H new ATOM 0 HB ILE C 35 8.652 2.347 4.945 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.911 2.944 1.959 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.504 3.437 2.880 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.918 2.236 3.946 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.336 0.613 4.387 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.311 1.136 2.686 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.182 5.262 2.799 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.966 4.688 4.470 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.395 4.188 3.535 1.00 0.00 H new ATOM 1257 N LEU C 36 7.711 -0.355 5.650 1.00 0.00 N ATOM 1258 CA LEU C 36 7.964 -1.521 6.492 1.00 0.00 C ATOM 1259 C LEU C 36 7.219 -2.729 5.942 1.00 0.00 C ATOM 1260 O LEU C 36 7.752 -3.838 5.913 1.00 0.00 O ATOM 1261 CB LEU C 36 7.512 -1.238 7.930 1.00 0.00 C ATOM 1262 CG LEU C 36 7.711 -2.482 8.813 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.178 -2.937 8.771 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.322 -2.136 10.253 1.00 0.00 C ATOM 0 H LEU C 36 7.256 0.423 6.127 1.00 0.00 H new ATOM 0 HA LEU C 36 9.033 -1.732 6.492 1.00 0.00 H new ATOM 0 HB2 LEU C 36 8.079 -0.401 8.338 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.462 -0.945 7.936 1.00 0.00 H new ATOM 0 HG LEU C 36 7.084 -3.292 8.441 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.304 -3.818 9.400 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.454 -3.181 7.745 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.818 -2.135 9.138 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.459 -3.012 10.887 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.952 -1.323 10.615 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.277 -1.826 10.283 1.00 0.00 H new ATOM 1276 N HIS C 37 5.988 -2.511 5.502 1.00 0.00 N ATOM 1277 CA HIS C 37 5.185 -3.592 4.951 1.00 0.00 C ATOM 1278 C HIS C 37 5.901 -4.226 3.774 1.00 0.00 C ATOM 1279 O HIS C 37 5.888 -5.445 3.606 1.00 0.00 O ATOM 1280 CB HIS C 37 3.832 -3.057 4.486 1.00 0.00 C ATOM 1281 CG HIS C 37 3.032 -4.184 3.893 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.828 -4.605 4.432 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.257 -4.996 2.808 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.383 -5.623 3.677 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.214 -5.901 2.677 1.00 0.00 N ATOM 0 H HIS C 37 5.526 -1.602 5.516 1.00 0.00 H new ATOM 0 HA HIS C 37 5.032 -4.340 5.729 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.294 -2.616 5.325 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.974 -2.268 3.748 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.116 -4.938 2.156 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.460 -6.153 3.860 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.107 -6.625 1.966 1.00 0.00 H new ATOM 1293 N LEU C 38 6.514 -3.391 2.950 1.00 0.00 N ATOM 1294 CA LEU C 38 7.215 -3.883 1.777 1.00 0.00 C ATOM 1295 C LEU C 38 8.330 -4.842 2.181 1.00 0.00 C ATOM 1296 O LEU C 38 8.536 -5.864 1.536 1.00 0.00 O ATOM 1297 CB LEU C 38 7.790 -2.686 0.982 1.00 0.00 C ATOM 1298 CG LEU C 38 6.946 -2.423 -0.279 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.231 -1.016 -0.798 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.288 -3.451 -1.368 1.00 0.00 C ATOM 0 H LEU C 38 6.540 -2.378 3.071 1.00 0.00 H new ATOM 0 HA LEU C 38 6.514 -4.429 1.145 1.00 0.00 H new ATOM 0 HB2 LEU C 38 7.802 -1.796 1.611 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.823 -2.891 0.700 1.00 0.00 H new ATOM 0 HG LEU C 38 5.890 -2.513 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.634 -0.830 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU C 38 6.974 -0.286 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.289 -0.926 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.685 -3.256 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.345 -3.373 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU C 38 7.077 -4.455 -1.000 1.00 0.00 H new ATOM 1312 N ILE C 39 9.051 -4.513 3.239 1.00 0.00 N ATOM 1313 CA ILE C 39 10.142 -5.377 3.670 1.00 0.00 C ATOM 1314 C ILE C 39 9.611 -6.771 3.999 1.00 0.00 C ATOM 1315 O ILE C 39 10.164 -7.775 3.551 1.00 0.00 O ATOM 1316 CB ILE C 39 10.816 -4.776 4.908 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.478 -3.445 4.533 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.883 -5.740 5.429 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.928 -2.710 5.800 1.00 0.00 C ATOM 0 H ILE C 39 8.909 -3.676 3.805 1.00 0.00 H new ATOM 0 HA ILE C 39 10.870 -5.458 2.863 1.00 0.00 H new ATOM 0 HB ILE C 39 10.067 -4.608 5.682 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.334 -3.625 3.883 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.778 -2.826 3.972 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.362 -5.311 6.310 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.417 -6.689 5.695 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.631 -5.907 4.654 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.397 -1.765 5.525 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.063 -2.515 6.434 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.644 -3.326 6.343 1.00 0.00 H new ATOM 1331 N LEU C 40 8.532 -6.830 4.776 1.00 0.00 N ATOM 1332 CA LEU C 40 7.942 -8.116 5.138 1.00 0.00 C ATOM 1333 C LEU C 40 7.358 -8.827 3.909 1.00 0.00 C ATOM 1334 O LEU C 40 7.528 -10.036 3.747 1.00 0.00 O ATOM 1335 CB LEU C 40 6.849 -7.910 6.199 1.00 0.00 C ATOM 1336 CG LEU C 40 7.476 -7.767 7.598 1.00 0.00 C ATOM 1337 CD1 LEU C 40 8.075 -9.111 8.070 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.571 -6.696 7.557 1.00 0.00 C ATOM 0 H LEU C 40 8.054 -6.016 5.162 1.00 0.00 H new ATOM 0 HA LEU C 40 8.730 -8.748 5.548 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.267 -7.019 5.962 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.159 -8.754 6.188 1.00 0.00 H new ATOM 0 HG LEU C 40 6.698 -7.472 8.303 1.00 0.00 H new ATOM 0 HD11 LEU C 40 8.512 -8.986 9.061 1.00 0.00 H new ATOM 0 HD12 LEU C 40 7.289 -9.865 8.113 1.00 0.00 H new ATOM 0 HD13 LEU C 40 8.847 -9.431 7.370 1.00 0.00 H new ATOM 0 HD21 LEU C 40 9.016 -6.593 8.546 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.340 -6.989 6.842 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.137 -5.743 7.254 1.00 0.00 H new ATOM 1350 N TRP C 41 6.668 -8.077 3.049 1.00 0.00 N ATOM 1351 CA TRP C 41 6.067 -8.667 1.850 1.00 0.00 C ATOM 1352 C TRP C 41 7.147 -9.174 0.896 1.00 0.00 C ATOM 1353 O TRP C 41 7.022 -10.257 0.324 1.00 0.00 O ATOM 1354 CB TRP C 41 5.157 -7.640 1.164 1.00 0.00 C ATOM 1355 CG TRP C 41 4.557 -8.217 -0.085 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.450 -9.001 -0.143 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.970 -8.004 -1.464 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.195 -9.315 -1.466 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.099 -8.718 -2.315 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.013 -7.272 -2.050 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.263 -8.707 -3.694 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.173 -7.254 -3.442 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.299 -7.971 -4.258 1.00 0.00 C ATOM 0 H TRP C 41 6.512 -7.075 3.156 1.00 0.00 H new ATOM 0 HA TRP C 41 5.460 -9.524 2.143 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.364 -7.335 1.847 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.729 -6.745 0.919 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.865 -9.326 0.704 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.430 -9.916 -1.775 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.697 -6.718 -1.424 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.589 -9.267 -4.325 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 6.976 -6.683 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.427 -7.955 -5.330 1.00 0.00 H new ATOM 1374 N ILE C 42 8.222 -8.402 0.749 1.00 0.00 N ATOM 1375 CA ILE C 42 9.326 -8.811 -0.116 1.00 0.00 C ATOM 1376 C ILE C 42 9.971 -10.084 0.427 1.00 0.00 C ATOM 1377 O ILE C 42 10.277 -11.011 -0.325 1.00 0.00 O ATOM 1378 CB ILE C 42 10.376 -7.691 -0.203 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.823 -6.520 -1.022 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.657 -8.212 -0.865 1.00 0.00 C ATOM 1381 CD1 ILE C 42 10.711 -5.289 -0.826 1.00 0.00 C ATOM 0 H ILE C 42 8.352 -7.502 1.211 1.00 0.00 H new ATOM 0 HA ILE C 42 8.934 -9.007 -1.114 1.00 0.00 H new ATOM 0 HB ILE C 42 10.607 -7.353 0.807 1.00 0.00 H new ATOM 0 HG12 ILE C 42 9.784 -6.788 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE C 42 8.802 -6.297 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.391 -7.408 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE C 42 12.063 -9.034 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.429 -8.564 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE C 42 10.315 -4.458 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.727 -5.016 0.229 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.724 -5.515 -1.158 1.00 0.00 H new ATOM 1393 N LEU C 43 10.182 -10.113 1.738 1.00 0.00 N ATOM 1394 CA LEU C 43 10.801 -11.267 2.377 1.00 0.00 C ATOM 1395 C LEU C 43 9.910 -12.503 2.221 1.00 0.00 C ATOM 1396 O LEU C 43 10.399 -13.610 2.011 1.00 0.00 O ATOM 1397 CB LEU C 43 11.046 -10.965 3.870 1.00 0.00 C ATOM 1398 CG LEU C 43 12.309 -11.697 4.375 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.212 -13.196 4.056 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.578 -11.097 3.714 1.00 0.00 C ATOM 0 H LEU C 43 9.935 -9.356 2.375 1.00 0.00 H new ATOM 0 HA LEU C 43 11.757 -11.471 1.895 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.160 -9.891 4.015 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.181 -11.276 4.456 1.00 0.00 H new ATOM 0 HG LEU C 43 12.380 -11.567 5.455 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.107 -13.703 4.416 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.334 -13.616 4.547 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.126 -13.334 2.978 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.461 -11.622 4.079 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.511 -11.207 2.632 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.654 -10.039 3.967 1.00 0.00 H new ATOM 1412 N ASP C 44 8.598 -12.312 2.329 1.00 0.00 N ATOM 1413 CA ASP C 44 7.668 -13.432 2.206 1.00 0.00 C ATOM 1414 C ASP C 44 7.853 -14.128 0.863 1.00 0.00 C ATOM 1415 O ASP C 44 7.828 -15.356 0.781 1.00 0.00 O ATOM 1416 CB ASP C 44 6.227 -12.936 2.333 1.00 0.00 C ATOM 1417 CG ASP C 44 5.256 -14.108 2.223 1.00 0.00 C ATOM 1418 OD1 ASP C 44 5.710 -15.205 1.938 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.073 -13.892 2.427 1.00 0.00 O ATOM 0 H ASP C 44 8.159 -11.407 2.499 1.00 0.00 H new ATOM 0 HA ASP C 44 7.875 -14.143 3.006 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.091 -12.430 3.289 1.00 0.00 H new ATOM 0 HB3 ASP C 44 6.016 -12.205 1.553 1.00 0.00 H new ATOM 1424 N ARG C 45 8.049 -13.336 -0.183 1.00 0.00 N ATOM 1425 CA ARG C 45 8.246 -13.886 -1.521 1.00 0.00 C ATOM 1426 C ARG C 45 9.481 -14.783 -1.564 1.00 0.00 C ATOM 1427 O ARG C 45 9.599 -15.651 -2.428 1.00 0.00 O ATOM 1428 CB ARG C 45 8.407 -12.754 -2.540 1.00 0.00 C ATOM 1429 CG ARG C 45 7.066 -12.052 -2.758 1.00 0.00 C ATOM 1430 CD ARG C 45 7.263 -10.864 -3.703 1.00 0.00 C ATOM 1431 NE ARG C 45 7.718 -11.334 -5.008 1.00 0.00 N ATOM 1432 CZ ARG C 45 8.062 -10.477 -5.966 1.00 0.00 C ATOM 1433 NH1 ARG C 45 7.983 -9.193 -5.753 1.00 0.00 N ATOM 1434 NH2 ARG C 45 8.475 -10.924 -7.120 1.00 0.00 N ATOM 0 H ARG C 45 8.076 -12.318 -0.134 1.00 0.00 H new ATOM 0 HA ARG C 45 7.368 -14.481 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG C 45 9.148 -12.038 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.775 -13.154 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG C 45 6.342 -12.750 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.663 -11.710 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.327 -10.316 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG C 45 7.992 -10.171 -3.282 1.00 0.00 H new ATOM 0 HE ARG C 45 7.773 -12.336 -5.189 1.00 0.00 H new ATOM 0 HH11 ARG C 45 7.657 -8.845 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG C 45 8.247 -8.537 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG C 45 8.534 -11.929 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG C 45 8.739 -10.269 -7.856 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.385 12.210 2.721 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.173 11.738 3.384 1.00 0.00 C ATOM 1639 C VAL D 27 -5.524 10.756 4.498 1.00 0.00 C ATOM 1640 O VAL D 27 -4.913 9.694 4.617 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.404 12.922 3.967 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.189 12.416 4.747 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.936 13.833 2.830 1.00 0.00 C ATOM 0 HA VAL D 27 -4.550 11.229 2.648 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.056 13.480 4.639 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.643 13.264 5.161 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.521 11.768 5.558 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.535 11.855 4.079 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.387 14.679 3.244 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.286 13.272 2.158 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.801 14.198 2.277 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.512 11.119 5.308 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.937 10.263 6.410 1.00 0.00 C ATOM 1655 C VAL D 28 -7.513 8.956 5.873 1.00 0.00 C ATOM 1656 O VAL D 28 -7.209 7.876 6.382 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.990 10.983 7.255 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.514 10.038 8.337 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.358 12.212 7.912 1.00 0.00 C ATOM 0 H VAL D 28 -7.031 11.993 5.224 1.00 0.00 H new ATOM 0 HA VAL D 28 -6.070 10.038 7.031 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.817 11.294 6.617 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.264 10.553 8.938 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.963 9.162 7.869 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.689 9.725 8.977 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.106 12.727 8.515 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.531 11.899 8.549 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.986 12.886 7.140 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.347 9.063 4.843 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.960 7.884 4.243 1.00 0.00 C ATOM 1671 C ALA D 29 -7.886 6.962 3.676 1.00 0.00 C ATOM 1672 O ALA D 29 -8.011 5.743 3.717 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.924 8.300 3.130 1.00 0.00 C ATOM 0 H ALA D 29 -8.612 9.947 4.409 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.515 7.350 5.014 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.376 7.411 2.689 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.705 8.937 3.545 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.378 8.849 2.362 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.828 7.552 3.139 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.744 6.758 2.580 1.00 0.00 C ATOM 1681 C ALA D 30 -4.953 6.071 3.694 1.00 0.00 C ATOM 1682 O ALA D 30 -4.555 4.913 3.563 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.809 7.652 1.761 1.00 0.00 C ATOM 0 H ALA D 30 -6.697 8.562 3.079 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.174 5.995 1.932 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.001 7.050 1.346 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.369 8.117 0.949 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.391 8.427 2.404 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.715 6.802 4.783 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.956 6.266 5.912 1.00 0.00 C ATOM 1691 C ASN D 31 -4.718 5.164 6.653 1.00 0.00 C ATOM 1692 O ASN D 31 -4.151 4.117 6.968 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.616 7.394 6.890 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.872 6.829 8.097 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.648 6.397 7.955 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 -3.421 6.780 9.198 1.00 0.00 N flip ATOM 0 H ASN D 31 -5.035 7.762 4.907 1.00 0.00 H new ATOM 0 HA ASN D 31 -3.044 5.826 5.510 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -3.003 8.145 6.393 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.529 7.892 7.215 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -4.377 7.118 9.307 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.920 6.401 10.002 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.996 5.405 6.946 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.799 4.423 7.667 1.00 0.00 C ATOM 1705 C ILE D 32 -6.985 3.158 6.831 1.00 0.00 C ATOM 1706 O ILE D 32 -6.882 2.043 7.345 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.159 5.037 8.011 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -8.908 4.142 9.000 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.992 5.189 6.738 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -10.128 4.896 9.530 1.00 0.00 C ATOM 0 H ILE D 32 -6.491 6.262 6.698 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.282 4.146 8.586 1.00 0.00 H new ATOM 0 HB ILE D 32 -7.998 6.015 8.464 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -9.219 3.219 8.511 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -8.252 3.861 9.824 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.959 5.626 6.986 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.469 5.839 6.037 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -9.142 4.210 6.283 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -10.668 4.265 10.236 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.803 5.807 10.033 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.785 5.155 8.699 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.247 3.338 5.541 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.430 2.203 4.644 1.00 0.00 C ATOM 1724 C ILE D 33 -6.139 1.390 4.537 1.00 0.00 C ATOM 1725 O ILE D 33 -6.167 0.161 4.570 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.863 2.695 3.255 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.293 3.241 3.326 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.807 1.543 2.251 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.630 3.981 2.027 1.00 0.00 C ATOM 0 H ILE D 33 -7.337 4.251 5.096 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.210 1.560 5.051 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.186 3.485 2.931 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.997 2.424 3.483 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.393 3.916 4.176 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.116 1.901 1.269 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.788 1.159 2.194 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.477 0.746 2.574 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.648 4.367 2.082 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.934 4.809 1.889 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.548 3.294 1.185 1.00 0.00 H new ATOM 1741 N GLY D 34 -5.012 2.082 4.400 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.726 1.404 4.282 1.00 0.00 C ATOM 1743 C GLY D 34 -3.404 0.618 5.548 1.00 0.00 C ATOM 1744 O GLY D 34 -2.983 -0.539 5.484 1.00 0.00 O ATOM 0 H GLY D 34 -4.963 3.100 4.368 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.744 0.730 3.426 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.941 2.136 4.095 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.615 1.250 6.695 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.350 0.605 7.976 1.00 0.00 C ATOM 1750 C ILE D 35 -4.286 -0.586 8.173 1.00 0.00 C ATOM 1751 O ILE D 35 -3.866 -1.654 8.625 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.534 1.619 9.110 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.434 2.683 9.012 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.428 0.908 10.462 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.795 3.882 9.890 1.00 0.00 C ATOM 0 H ILE D 35 -3.967 2.205 6.766 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.323 0.241 7.986 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.515 2.087 9.025 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.479 2.263 9.329 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.314 3.002 7.976 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.559 1.633 11.266 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.202 0.144 10.533 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.447 0.441 10.552 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -2.011 4.635 9.817 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.740 4.308 9.553 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.892 3.558 10.926 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.556 -0.397 7.829 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.543 -1.460 7.969 1.00 0.00 C ATOM 1769 C LEU D 36 -6.150 -2.654 7.109 1.00 0.00 C ATOM 1770 O LEU D 36 -6.270 -3.803 7.532 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.929 -0.953 7.554 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.967 -2.084 7.634 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.999 -2.681 9.050 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.347 -1.517 7.285 1.00 0.00 C ATOM 0 H LEU D 36 -5.924 0.477 7.454 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.578 -1.770 9.013 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.230 -0.130 8.202 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.889 -0.560 6.538 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.697 -2.871 6.930 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.739 -3.481 9.091 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.016 -3.083 9.298 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.265 -1.904 9.767 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.091 -2.312 7.339 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.606 -0.729 7.992 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.327 -1.106 6.275 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.673 -2.375 5.904 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.260 -3.438 4.998 1.00 0.00 C ATOM 1788 C HIS D 37 -4.181 -4.286 5.645 1.00 0.00 C ATOM 1789 O HIS D 37 -4.173 -5.510 5.511 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.717 -2.839 3.702 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.268 -3.951 2.795 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.849 -4.183 1.562 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.297 -4.912 2.935 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.228 -5.246 1.017 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.276 -5.726 1.812 1.00 0.00 N ATOM 0 H HIS D 37 -5.563 -1.431 5.533 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.127 -4.061 4.777 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.487 -2.242 3.212 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.884 -2.170 3.917 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.647 -5.018 3.791 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.474 -5.659 0.050 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.663 -6.521 1.634 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.263 -3.630 6.333 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.169 -4.335 6.980 1.00 0.00 C ATOM 1805 C LEU D 38 -2.706 -5.337 7.998 1.00 0.00 C ATOM 1806 O LEU D 38 -2.201 -6.449 8.101 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.233 -3.314 7.666 1.00 0.00 C ATOM 1808 CG LEU D 38 0.058 -3.134 6.850 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.745 -1.837 7.266 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.004 -4.322 7.088 1.00 0.00 C ATOM 0 H LEU D 38 -3.252 -2.618 6.458 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.605 -4.887 6.228 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.743 -2.356 7.768 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.990 -3.654 8.673 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.192 -3.090 5.790 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.660 -1.709 6.688 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.077 -0.996 7.080 1.00 0.00 H new ATOM 0 HD13 LEU D 38 0.989 -1.879 8.328 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.915 -4.184 6.505 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.256 -4.380 8.147 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.513 -5.245 6.781 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.719 -4.945 8.751 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.268 -5.844 9.756 1.00 0.00 C ATOM 1824 C ILE D 39 -4.770 -7.125 9.092 1.00 0.00 C ATOM 1825 O ILE D 39 -4.461 -8.229 9.546 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.423 -5.155 10.489 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.882 -3.954 11.275 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.074 -6.139 11.460 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.049 -3.109 11.799 1.00 0.00 C ATOM 0 H ILE D 39 -4.171 -4.033 8.691 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.486 -6.097 10.472 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.162 -4.818 9.762 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.268 -4.299 12.107 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.240 -3.348 10.635 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.896 -5.647 11.981 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.457 -6.997 10.907 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.335 -6.476 12.186 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.660 -2.257 12.357 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.645 -2.751 10.959 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.673 -3.717 12.454 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.536 -6.979 8.016 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.058 -8.144 7.305 1.00 0.00 C ATOM 1843 C LEU D 40 -4.925 -8.948 6.651 1.00 0.00 C ATOM 1844 O LEU D 40 -4.923 -10.178 6.702 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.073 -7.698 6.240 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.446 -7.436 6.885 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.095 -8.756 7.353 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.277 -6.488 8.079 1.00 0.00 C ATOM 0 H LEU D 40 -5.807 -6.079 7.620 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.556 -8.789 8.029 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.718 -6.794 5.746 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.165 -8.466 5.472 1.00 0.00 H new ATOM 0 HG LEU D 40 -9.099 -6.979 6.141 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.064 -8.545 7.805 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -9.230 -9.418 6.498 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.450 -9.239 8.087 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.249 -6.302 8.536 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -7.612 -6.942 8.813 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -7.850 -5.545 7.737 1.00 0.00 H new ATOM 1860 N TRP D 41 -3.969 -8.254 6.032 1.00 0.00 N ATOM 1861 CA TRP D 41 -2.851 -8.933 5.372 1.00 0.00 C ATOM 1862 C TRP D 41 -1.981 -9.663 6.396 1.00 0.00 C ATOM 1863 O TRP D 41 -1.552 -10.794 6.164 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.029 -7.921 4.564 1.00 0.00 C ATOM 1865 CG TRP D 41 -0.858 -8.594 3.905 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -0.891 -9.267 2.725 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.533 -8.601 4.332 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.383 -9.722 2.437 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.292 -9.331 3.392 1.00 0.00 C ATOM 1870 CE3 TRP D 41 1.200 -8.059 5.442 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.662 -9.511 3.550 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.581 -8.235 5.595 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.306 -8.962 4.654 1.00 0.00 C ATOM 0 H TRP D 41 -3.944 -7.236 5.973 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.247 -9.681 4.685 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.660 -7.454 3.807 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.676 -7.125 5.220 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.767 -9.421 2.113 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.619 -10.280 1.616 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.645 -7.503 6.183 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.223 -10.074 2.819 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 3.086 -7.805 6.447 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.370 -9.100 4.782 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.745 -9.023 7.540 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.951 -9.647 8.595 1.00 0.00 C ATOM 1886 C ILE D 42 -1.661 -10.895 9.117 1.00 0.00 C ATOM 1887 O ILE D 42 -1.039 -11.936 9.330 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.729 -8.653 9.751 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.242 -7.550 9.309 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -0.151 -9.377 10.972 1.00 0.00 C ATOM 1891 CD1 ILE D 42 0.198 -6.396 10.315 1.00 0.00 C ATOM 0 H ILE D 42 -2.087 -8.087 7.758 1.00 0.00 H new ATOM 0 HA ILE D 42 0.016 -9.933 8.181 1.00 0.00 H new ATOM 0 HB ILE D 42 -1.689 -8.211 10.019 1.00 0.00 H new ATOM 0 HG12 ILE D 42 1.254 -7.948 9.241 1.00 0.00 H new ATOM 0 HG13 ILE D 42 -0.027 -7.191 8.316 1.00 0.00 H new ATOM 0 HG21 ILE D 42 0.001 -8.662 11.781 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -0.845 -10.152 11.298 1.00 0.00 H new ATOM 0 HG23 ILE D 42 0.803 -9.833 10.707 1.00 0.00 H new ATOM 0 HD11 ILE D 42 0.888 -5.613 10.001 1.00 0.00 H new ATOM 0 HD12 ILE D 42 -0.813 -5.992 10.361 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.488 -6.761 11.300 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.967 -10.772 9.329 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.755 -11.887 9.835 1.00 0.00 C ATOM 1905 C LEU D 43 -3.751 -13.042 8.828 1.00 0.00 C ATOM 1906 O LEU D 43 -3.692 -14.208 9.207 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.197 -11.419 10.114 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.804 -12.198 11.302 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.681 -13.708 11.059 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -5.083 -11.815 12.620 1.00 0.00 C ATOM 0 H LEU D 43 -3.498 -9.918 9.159 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.313 -12.243 10.765 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.202 -10.351 10.332 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.811 -11.566 9.225 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.859 -11.936 11.389 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.112 -14.248 11.902 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.214 -13.974 10.146 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -4.629 -13.975 10.956 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -5.521 -12.371 13.449 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -4.024 -12.058 12.539 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -5.197 -10.746 12.800 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.822 -12.714 7.543 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.838 -13.745 6.508 1.00 0.00 C ATOM 1924 C ASP D 44 -2.598 -14.623 6.619 1.00 0.00 C ATOM 1925 O ASP D 44 -2.673 -15.844 6.474 1.00 0.00 O ATOM 1926 CB ASP D 44 -3.886 -13.099 5.121 1.00 0.00 C ATOM 1927 CG ASP D 44 -3.920 -14.177 4.041 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -3.784 -15.340 4.385 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.084 -13.823 2.886 1.00 0.00 O ATOM 0 H ASP D 44 -3.869 -11.757 7.194 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.726 -14.362 6.648 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -4.767 -12.462 5.038 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.015 -12.459 4.979 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.459 -13.996 6.886 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.207 -14.732 7.025 1.00 0.00 C ATOM 1936 C ARG D 45 -0.291 -15.742 8.168 1.00 0.00 C ATOM 1937 O ARG D 45 0.450 -16.723 8.197 1.00 0.00 O ATOM 1938 CB ARG D 45 0.949 -13.764 7.291 1.00 0.00 C ATOM 1939 CG ARG D 45 1.267 -12.967 6.023 1.00 0.00 C ATOM 1940 CD ARG D 45 2.359 -11.939 6.331 1.00 0.00 C ATOM 1941 NE ARG D 45 3.587 -12.615 6.735 1.00 0.00 N ATOM 1942 CZ ARG D 45 4.645 -11.930 7.155 1.00 0.00 C ATOM 1943 NH1 ARG D 45 4.600 -10.627 7.203 1.00 0.00 N ATOM 1944 NH2 ARG D 45 5.727 -12.560 7.520 1.00 0.00 N ATOM 0 H ARG D 45 -1.375 -12.987 7.010 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.029 -15.268 6.093 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.686 -13.084 8.101 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.831 -14.318 7.613 1.00 0.00 H new ATOM 0 HG2 ARG D 45 1.597 -13.639 5.231 1.00 0.00 H new ATOM 0 HG3 ARG D 45 0.370 -12.464 5.661 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.547 -11.323 5.452 1.00 0.00 H new ATOM 0 HD3 ARG D 45 2.026 -11.270 7.124 1.00 0.00 H new ATOM 0 HE ARG D 45 3.634 -13.633 6.694 1.00 0.00 H new ATOM 0 HH11 ARG D 45 3.753 -10.135 6.918 1.00 0.00 H new ATOM 0 HH12 ARG D 45 5.412 -10.100 7.525 1.00 0.00 H new ATOM 0 HH21 ARG D 45 5.761 -13.579 7.483 1.00 0.00 H new ATOM 0 HH22 ARG D 45 6.539 -12.034 7.842 1.00 0.00 H new