USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=4 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= -0.519 F(o=-2.9!,f=-0.52) USER MOD Single : A 37 HIS : no HD1:sc= -9.68! C(o=-9.7!,f=-12!) USER MOD Single : B 31 ASN :FLIP amide:sc= -0.0457 F(o=-1.8,f=-0.046) USER MOD Single : B 37 HIS : no HD1:sc= -9.71! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN :FLIP amide:sc= -0.788 F(o=-3.3!,f=-0.79) USER MOD Single : C 37 HIS : no HD1:sc= -9.57! C(o=-9.6!,f=-12!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.169 F(o=-2.3!,f=-0.17) USER MOD Single : D 37 HIS : no HD1:sc= -9.66! C(o=-9.7!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.815 12.897 -5.441 1.00 0.00 N ATOM 108 CA VAL A 27 -1.511 12.664 -4.178 1.00 0.00 C ATOM 109 C VAL A 27 -2.852 11.967 -4.408 1.00 0.00 C ATOM 110 O VAL A 27 -3.154 10.960 -3.767 1.00 0.00 O ATOM 111 CB VAL A 27 -1.748 14.004 -3.473 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.628 13.796 -2.237 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.407 14.604 -3.050 1.00 0.00 C ATOM 0 HA VAL A 27 -0.890 12.018 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.251 14.684 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.792 14.753 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.587 13.375 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.133 13.111 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.577 15.557 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.099 13.920 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.215 14.763 -3.931 1.00 0.00 H new ATOM 123 N VAL A 28 -3.649 12.508 -5.322 1.00 0.00 N ATOM 124 CA VAL A 28 -4.952 11.925 -5.622 1.00 0.00 C ATOM 125 C VAL A 28 -4.786 10.592 -6.333 1.00 0.00 C ATOM 126 O VAL A 28 -5.488 9.624 -6.046 1.00 0.00 O ATOM 127 CB VAL A 28 -5.763 12.883 -6.493 1.00 0.00 C ATOM 128 CG1 VAL A 28 -5.072 13.073 -7.840 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.167 12.312 -6.711 1.00 0.00 C ATOM 0 H VAL A 28 -3.420 13.341 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.483 11.757 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.837 13.848 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.656 13.757 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.076 13.487 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.990 12.111 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.745 12.996 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.093 11.344 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.663 12.189 -5.748 1.00 0.00 H new ATOM 139 N ALA A 29 -3.850 10.559 -7.268 1.00 0.00 N ATOM 140 CA ALA A 29 -3.590 9.342 -8.031 1.00 0.00 C ATOM 141 C ALA A 29 -3.140 8.216 -7.110 1.00 0.00 C ATOM 142 O ALA A 29 -3.555 7.070 -7.269 1.00 0.00 O ATOM 143 CB ALA A 29 -2.506 9.599 -9.080 1.00 0.00 C ATOM 0 H ALA A 29 -3.260 11.353 -7.518 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.515 9.048 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.320 8.684 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.837 10.383 -9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.587 9.913 -8.584 1.00 0.00 H new ATOM 149 N ALA A 30 -2.288 8.545 -6.146 1.00 0.00 N ATOM 150 CA ALA A 30 -1.794 7.540 -5.213 1.00 0.00 C ATOM 151 C ALA A 30 -2.943 6.943 -4.409 1.00 0.00 C ATOM 152 O ALA A 30 -3.000 5.732 -4.196 1.00 0.00 O ATOM 153 CB ALA A 30 -0.778 8.169 -4.259 1.00 0.00 C ATOM 0 H ALA A 30 -1.929 9.487 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.314 6.746 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.413 7.412 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.059 8.570 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.254 8.975 -3.700 1.00 0.00 H new ATOM 159 N ASN A 31 -3.857 7.799 -3.968 1.00 0.00 N ATOM 160 CA ASN A 31 -4.999 7.338 -3.189 1.00 0.00 C ATOM 161 C ASN A 31 -5.892 6.431 -4.028 1.00 0.00 C ATOM 162 O ASN A 31 -6.359 5.395 -3.556 1.00 0.00 O ATOM 163 CB ASN A 31 -5.810 8.540 -2.699 1.00 0.00 C ATOM 164 CG ASN A 31 -5.011 9.334 -1.670 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.148 8.726 -0.904 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -5.182 10.550 -1.559 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.831 8.805 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.628 6.772 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.069 9.181 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.747 8.200 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.857 11.027 -2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.649 11.079 -0.869 1.00 0.00 H new ATOM 173 N ILE A 32 -6.126 6.824 -5.278 1.00 0.00 N ATOM 174 CA ILE A 32 -6.968 6.034 -6.170 1.00 0.00 C ATOM 175 C ILE A 32 -6.314 4.684 -6.462 1.00 0.00 C ATOM 176 O ILE A 32 -6.976 3.645 -6.439 1.00 0.00 O ATOM 177 CB ILE A 32 -7.197 6.796 -7.478 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.045 8.038 -7.198 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.932 5.899 -8.479 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.040 8.947 -8.428 1.00 0.00 C ATOM 0 H ILE A 32 -5.748 7.676 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.927 5.859 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.235 7.091 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.066 7.746 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.650 8.574 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.093 6.446 -9.408 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.333 5.011 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.894 5.601 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.644 9.832 -8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.017 9.249 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.455 8.409 -9.280 1.00 0.00 H new ATOM 192 N ILE A 33 -5.016 4.710 -6.739 1.00 0.00 N ATOM 193 CA ILE A 33 -4.281 3.487 -7.037 1.00 0.00 C ATOM 194 C ILE A 33 -4.264 2.554 -5.823 1.00 0.00 C ATOM 195 O ILE A 33 -4.465 1.347 -5.957 1.00 0.00 O ATOM 196 CB ILE A 33 -2.846 3.832 -7.454 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.862 4.532 -8.817 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.009 2.552 -7.548 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.482 5.132 -9.103 1.00 0.00 C ATOM 0 H ILE A 33 -4.453 5.560 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.782 2.973 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.407 4.495 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.130 3.821 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.619 5.316 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.991 2.804 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.992 2.056 -6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.448 1.884 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.495 5.629 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.232 5.856 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.735 4.338 -9.113 1.00 0.00 H new ATOM 211 N GLY A 34 -4.015 3.117 -4.645 1.00 0.00 N ATOM 212 CA GLY A 34 -3.968 2.316 -3.426 1.00 0.00 C ATOM 213 C GLY A 34 -5.318 1.662 -3.148 1.00 0.00 C ATOM 214 O GLY A 34 -5.396 0.469 -2.847 1.00 0.00 O ATOM 0 H GLY A 34 -3.844 4.113 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.201 1.548 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.685 2.947 -2.583 1.00 0.00 H new ATOM 218 N ILE A 35 -6.381 2.447 -3.260 1.00 0.00 N ATOM 219 CA ILE A 35 -7.724 1.934 -3.023 1.00 0.00 C ATOM 220 C ILE A 35 -8.067 0.860 -4.053 1.00 0.00 C ATOM 221 O ILE A 35 -8.627 -0.182 -3.714 1.00 0.00 O ATOM 222 CB ILE A 35 -8.738 3.079 -3.104 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.512 4.033 -1.926 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.158 2.511 -3.032 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.266 5.339 -2.175 1.00 0.00 C ATOM 0 H ILE A 35 -6.341 3.435 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.763 1.491 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.610 3.616 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.857 3.573 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.447 4.233 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.879 3.326 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.318 1.825 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.289 1.977 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.105 6.017 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.900 5.801 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.331 5.131 -2.274 1.00 0.00 H new ATOM 237 N LEU A 36 -7.720 1.121 -5.308 1.00 0.00 N ATOM 238 CA LEU A 36 -7.996 0.170 -6.379 1.00 0.00 C ATOM 239 C LEU A 36 -7.284 -1.147 -6.099 1.00 0.00 C ATOM 240 O LEU A 36 -7.824 -2.221 -6.363 1.00 0.00 O ATOM 241 CB LEU A 36 -7.530 0.736 -7.726 1.00 0.00 C ATOM 242 CG LEU A 36 -7.848 -0.251 -8.861 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.365 -0.504 -8.942 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.350 0.338 -10.185 1.00 0.00 C ATOM 0 H LEU A 36 -7.251 1.976 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.071 -0.005 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.022 1.690 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.458 0.931 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.349 -1.200 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.574 -1.205 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.715 -0.923 -7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.881 0.437 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.571 -0.355 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.851 1.288 -10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.274 0.500 -10.129 1.00 0.00 H new ATOM 256 N HIS A 37 -6.074 -1.058 -5.560 1.00 0.00 N ATOM 257 CA HIS A 37 -5.306 -2.257 -5.247 1.00 0.00 C ATOM 258 C HIS A 37 -6.095 -3.142 -4.294 1.00 0.00 C ATOM 259 O HIS A 37 -6.127 -4.363 -4.450 1.00 0.00 O ATOM 260 CB HIS A 37 -3.979 -1.874 -4.595 1.00 0.00 C ATOM 261 CG HIS A 37 -3.183 -3.120 -4.322 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.947 -3.353 -4.899 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.440 -4.217 -3.539 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.514 -4.547 -4.460 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.384 -5.115 -3.628 1.00 0.00 N ATOM 0 H HIS A 37 -5.608 -0.180 -5.333 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.111 -2.799 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.418 -1.206 -5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.160 -1.333 -3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.329 -4.361 -2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.573 -4.992 -4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.295 -6.015 -3.157 1.00 0.00 H new ATOM 273 N LEU A 38 -6.732 -2.525 -3.307 1.00 0.00 N ATOM 274 CA LEU A 38 -7.519 -3.277 -2.335 1.00 0.00 C ATOM 275 C LEU A 38 -8.650 -4.035 -3.015 1.00 0.00 C ATOM 276 O LEU A 38 -8.939 -5.168 -2.647 1.00 0.00 O ATOM 277 CB LEU A 38 -8.094 -2.324 -1.266 1.00 0.00 C ATOM 278 CG LEU A 38 -7.119 -2.200 -0.077 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.365 -0.887 0.663 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.327 -3.375 0.895 1.00 0.00 C ATOM 0 H LEU A 38 -6.721 -1.516 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.861 -4.002 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.272 -1.341 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.057 -2.697 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.098 -2.218 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.673 -0.807 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.209 -0.051 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.389 -0.865 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.635 -3.281 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.351 -3.362 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.142 -4.315 0.375 1.00 0.00 H new ATOM 292 N ILE A 39 -9.291 -3.409 -3.990 1.00 0.00 N ATOM 293 CA ILE A 39 -10.401 -4.055 -4.683 1.00 0.00 C ATOM 294 C ILE A 39 -9.936 -5.341 -5.367 1.00 0.00 C ATOM 295 O ILE A 39 -10.596 -6.376 -5.271 1.00 0.00 O ATOM 296 CB ILE A 39 -10.970 -3.107 -5.735 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.286 -1.749 -5.091 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.244 -3.706 -6.339 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.191 -1.923 -3.866 1.00 0.00 C ATOM 0 H ILE A 39 -9.069 -2.469 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.168 -4.302 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.234 -2.965 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.359 -1.257 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.773 -1.101 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.646 -3.025 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.010 -4.663 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.984 -3.857 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.401 -0.948 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.126 -2.394 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.690 -2.552 -3.130 1.00 0.00 H new ATOM 311 N LEU A 40 -8.806 -5.278 -6.060 1.00 0.00 N ATOM 312 CA LEU A 40 -8.287 -6.458 -6.746 1.00 0.00 C ATOM 313 C LEU A 40 -7.690 -7.455 -5.751 1.00 0.00 C ATOM 314 O LEU A 40 -7.945 -8.656 -5.835 1.00 0.00 O ATOM 315 CB LEU A 40 -7.221 -6.048 -7.767 1.00 0.00 C ATOM 316 CG LEU A 40 -6.715 -7.281 -8.538 1.00 0.00 C ATOM 317 CD1 LEU A 40 -7.874 -7.957 -9.296 1.00 0.00 C ATOM 318 CD2 LEU A 40 -5.637 -6.833 -9.528 1.00 0.00 C ATOM 0 H LEU A 40 -8.238 -4.437 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.118 -6.940 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.637 -5.320 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.388 -5.562 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.300 -8.003 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.498 -8.826 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.638 -8.273 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.307 -7.250 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.269 -7.697 -10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.061 -6.110 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.812 -6.373 -8.984 1.00 0.00 H new ATOM 330 N TRP A 41 -6.879 -6.950 -4.822 1.00 0.00 N ATOM 331 CA TRP A 41 -6.237 -7.811 -3.833 1.00 0.00 C ATOM 332 C TRP A 41 -7.270 -8.513 -2.956 1.00 0.00 C ATOM 333 O TRP A 41 -7.188 -9.722 -2.740 1.00 0.00 O ATOM 334 CB TRP A 41 -5.283 -6.981 -2.962 1.00 0.00 C ATOM 335 CG TRP A 41 -4.804 -7.793 -1.797 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.764 -8.660 -1.817 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.312 -7.802 -0.434 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.622 -9.216 -0.558 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.552 -8.714 0.329 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.358 -7.114 0.204 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.817 -8.933 1.678 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.621 -7.330 1.565 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.854 -8.237 2.298 1.00 0.00 C ATOM 0 H TRP A 41 -6.653 -5.959 -4.735 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.671 -8.577 -4.364 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.432 -6.649 -3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.792 -6.085 -2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.147 -8.881 -2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.916 -9.912 -0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.962 -6.416 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.223 -9.638 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.422 -6.791 2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.064 -8.400 3.345 1.00 0.00 H new ATOM 354 N ILE A 42 -8.228 -7.754 -2.444 1.00 0.00 N ATOM 355 CA ILE A 42 -9.248 -8.331 -1.582 1.00 0.00 C ATOM 356 C ILE A 42 -10.116 -9.308 -2.372 1.00 0.00 C ATOM 357 O ILE A 42 -10.481 -10.372 -1.875 1.00 0.00 O ATOM 358 CB ILE A 42 -10.117 -7.217 -0.969 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.894 -7.766 0.229 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.115 -6.679 -2.008 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.572 -6.606 0.956 1.00 0.00 C ATOM 0 H ILE A 42 -8.320 -6.751 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.759 -8.876 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.462 -6.407 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.639 -8.488 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.220 -8.292 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.721 -5.893 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.570 -6.274 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.763 -7.489 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.128 -6.988 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.816 -5.901 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.256 -6.100 0.275 1.00 0.00 H new ATOM 373 N LEU A 43 -10.441 -8.934 -3.606 1.00 0.00 N ATOM 374 CA LEU A 43 -11.265 -9.779 -4.457 1.00 0.00 C ATOM 375 C LEU A 43 -10.563 -11.101 -4.749 1.00 0.00 C ATOM 376 O LEU A 43 -11.187 -12.161 -4.735 1.00 0.00 O ATOM 377 CB LEU A 43 -11.572 -9.054 -5.774 1.00 0.00 C ATOM 378 CG LEU A 43 -12.390 -9.959 -6.710 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.679 -10.421 -6.010 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.748 -9.177 -7.977 1.00 0.00 C ATOM 0 H LEU A 43 -10.147 -8.056 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.197 -9.989 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.125 -8.137 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.641 -8.764 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.797 -10.836 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.249 -11.061 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.424 -10.978 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.279 -9.551 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.328 -9.813 -8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.337 -8.300 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.834 -8.861 -8.480 1.00 0.00 H new ATOM 392 N ASP A 44 -9.265 -11.030 -5.025 1.00 0.00 N ATOM 393 CA ASP A 44 -8.501 -12.231 -5.333 1.00 0.00 C ATOM 394 C ASP A 44 -8.572 -13.222 -4.176 1.00 0.00 C ATOM 395 O ASP A 44 -8.778 -14.417 -4.383 1.00 0.00 O ATOM 396 CB ASP A 44 -7.043 -11.863 -5.604 1.00 0.00 C ATOM 397 CG ASP A 44 -6.309 -13.059 -6.197 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.650 -13.450 -7.302 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.418 -13.569 -5.538 1.00 0.00 O ATOM 0 H ASP A 44 -8.726 -10.164 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.930 -12.696 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.994 -11.018 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.559 -11.551 -4.678 1.00 0.00 H new ATOM 404 N ARG A 45 -8.405 -12.715 -2.961 1.00 0.00 N ATOM 405 CA ARG A 45 -8.458 -13.568 -1.782 1.00 0.00 C ATOM 406 C ARG A 45 -9.873 -14.092 -1.559 1.00 0.00 C ATOM 407 O ARG A 45 -10.074 -15.084 -0.860 1.00 0.00 O ATOM 408 CB ARG A 45 -8.000 -12.784 -0.550 1.00 0.00 C ATOM 409 CG ARG A 45 -8.070 -13.685 0.685 1.00 0.00 C ATOM 410 CD ARG A 45 -7.401 -12.984 1.869 1.00 0.00 C ATOM 411 NE ARG A 45 -5.961 -12.897 1.652 1.00 0.00 N ATOM 412 CZ ARG A 45 -5.201 -12.101 2.396 1.00 0.00 C ATOM 413 NH1 ARG A 45 -5.738 -11.369 3.331 1.00 0.00 N ATOM 414 NH2 ARG A 45 -3.913 -12.052 2.188 1.00 0.00 N ATOM 0 H ARG A 45 -8.234 -11.728 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.792 -14.416 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.981 -12.424 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.631 -11.907 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.109 -13.912 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.574 -14.635 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.819 -11.985 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.606 -13.532 2.789 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.530 -13.457 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.744 -11.406 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.152 -10.759 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.493 -12.624 1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.327 -11.442 2.758 1.00 0.00 H new ATOM 617 N VAL B 27 7.052 12.122 0.428 1.00 0.00 N ATOM 618 CA VAL B 27 5.761 12.115 -0.258 1.00 0.00 C ATOM 619 C VAL B 27 5.886 11.530 -1.664 1.00 0.00 C ATOM 620 O VAL B 27 5.122 10.644 -2.047 1.00 0.00 O ATOM 621 CB VAL B 27 5.226 13.550 -0.352 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.964 13.580 -1.217 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.896 14.063 1.051 1.00 0.00 C ATOM 0 HA VAL B 27 5.073 11.493 0.314 1.00 0.00 H new ATOM 0 HB VAL B 27 5.985 14.187 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.590 14.602 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.200 13.218 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.202 12.941 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.516 15.082 0.986 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.140 13.422 1.504 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.797 14.050 1.664 1.00 0.00 H new ATOM 633 N VAL B 28 6.852 12.031 -2.427 1.00 0.00 N ATOM 634 CA VAL B 28 7.061 11.545 -3.788 1.00 0.00 C ATOM 635 C VAL B 28 7.603 10.126 -3.766 1.00 0.00 C ATOM 636 O VAL B 28 7.188 9.274 -4.552 1.00 0.00 O ATOM 637 CB VAL B 28 8.036 12.463 -4.524 1.00 0.00 C ATOM 638 CG1 VAL B 28 9.404 12.418 -3.850 1.00 0.00 C ATOM 639 CG2 VAL B 28 8.165 12.012 -5.980 1.00 0.00 C ATOM 0 H VAL B 28 7.496 12.765 -2.132 1.00 0.00 H new ATOM 0 HA VAL B 28 6.104 11.546 -4.310 1.00 0.00 H new ATOM 0 HB VAL B 28 7.657 13.485 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL B 28 10.093 13.075 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.311 12.749 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL B 28 9.787 11.398 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.861 12.668 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.537 10.988 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.189 12.058 -6.463 1.00 0.00 H new ATOM 649 N ALA B 29 8.539 9.886 -2.862 1.00 0.00 N ATOM 650 CA ALA B 29 9.146 8.567 -2.738 1.00 0.00 C ATOM 651 C ALA B 29 8.099 7.522 -2.374 1.00 0.00 C ATOM 652 O ALA B 29 8.110 6.411 -2.899 1.00 0.00 O ATOM 653 CB ALA B 29 10.235 8.586 -1.663 1.00 0.00 C ATOM 0 H ALA B 29 8.895 10.581 -2.206 1.00 0.00 H new ATOM 0 HA ALA B 29 9.587 8.307 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.681 7.595 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.004 9.308 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.797 8.868 -0.706 1.00 0.00 H new ATOM 659 N ALA B 30 7.192 7.883 -1.475 1.00 0.00 N ATOM 660 CA ALA B 30 6.148 6.958 -1.055 1.00 0.00 C ATOM 661 C ALA B 30 5.263 6.579 -2.236 1.00 0.00 C ATOM 662 O ALA B 30 4.900 5.414 -2.401 1.00 0.00 O ATOM 663 CB ALA B 30 5.291 7.598 0.038 1.00 0.00 C ATOM 0 H ALA B 30 7.158 8.799 -1.027 1.00 0.00 H new ATOM 0 HA ALA B 30 6.623 6.058 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.513 6.900 0.346 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.918 7.844 0.895 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.830 8.508 -0.347 1.00 0.00 H new ATOM 669 N ASN B 31 4.920 7.566 -3.055 1.00 0.00 N ATOM 670 CA ASN B 31 4.077 7.319 -4.216 1.00 0.00 C ATOM 671 C ASN B 31 4.787 6.406 -5.212 1.00 0.00 C ATOM 672 O ASN B 31 4.182 5.488 -5.766 1.00 0.00 O ATOM 673 CB ASN B 31 3.730 8.644 -4.896 1.00 0.00 C ATOM 674 CG ASN B 31 2.818 9.477 -4.002 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.989 8.883 -3.185 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 2.858 10.707 -4.049 1.00 0.00 N flip ATOM 0 H ASN B 31 5.210 8.537 -2.938 1.00 0.00 H new ATOM 0 HA ASN B 31 3.163 6.829 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.643 9.199 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.239 8.453 -5.850 1.00 0.00 H new ATOM 0 HD21 ASN B 31 3.505 11.172 -4.686 1.00 0.00 H new ATOM 0 HD22 ASN B 31 2.245 11.260 -3.451 1.00 0.00 H new ATOM 683 N ILE B 32 6.072 6.664 -5.437 1.00 0.00 N ATOM 684 CA ILE B 32 6.851 5.856 -6.371 1.00 0.00 C ATOM 685 C ILE B 32 6.980 4.423 -5.859 1.00 0.00 C ATOM 686 O ILE B 32 6.817 3.466 -6.617 1.00 0.00 O ATOM 687 CB ILE B 32 8.241 6.470 -6.555 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.108 7.816 -7.272 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.112 5.534 -7.398 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.444 8.561 -7.210 1.00 0.00 C ATOM 0 H ILE B 32 6.593 7.419 -4.990 1.00 0.00 H new ATOM 0 HA ILE B 32 6.335 5.838 -7.331 1.00 0.00 H new ATOM 0 HB ILE B 32 8.704 6.615 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.814 7.660 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.324 8.413 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.101 5.975 -7.527 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.206 4.572 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.650 5.388 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.350 9.520 -7.720 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.719 8.730 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.216 7.965 -7.697 1.00 0.00 H new ATOM 702 N ILE B 33 7.271 4.287 -4.570 1.00 0.00 N ATOM 703 CA ILE B 33 7.421 2.968 -3.964 1.00 0.00 C ATOM 704 C ILE B 33 6.102 2.197 -4.007 1.00 0.00 C ATOM 705 O ILE B 33 6.082 1.009 -4.327 1.00 0.00 O ATOM 706 CB ILE B 33 7.895 3.116 -2.513 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.335 3.644 -2.497 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.844 1.758 -1.808 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.709 4.067 -1.074 1.00 0.00 C ATOM 0 H ILE B 33 7.407 5.068 -3.928 1.00 0.00 H new ATOM 0 HA ILE B 33 8.163 2.407 -4.532 1.00 0.00 H new ATOM 0 HB ILE B 33 7.242 3.816 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE B 33 10.020 2.873 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.430 4.491 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.182 1.870 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.821 1.382 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.493 1.053 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.732 4.442 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.031 4.852 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.630 3.209 -0.407 1.00 0.00 H new ATOM 721 N GLY B 34 5.007 2.874 -3.677 1.00 0.00 N ATOM 722 CA GLY B 34 3.696 2.229 -3.678 1.00 0.00 C ATOM 723 C GLY B 34 3.324 1.749 -5.077 1.00 0.00 C ATOM 724 O GLY B 34 2.876 0.615 -5.262 1.00 0.00 O ATOM 0 H GLY B 34 4.999 3.858 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.702 1.384 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.942 2.929 -3.317 1.00 0.00 H new ATOM 728 N ILE B 35 3.520 2.616 -6.064 1.00 0.00 N ATOM 729 CA ILE B 35 3.206 2.269 -7.442 1.00 0.00 C ATOM 730 C ILE B 35 4.090 1.115 -7.909 1.00 0.00 C ATOM 731 O ILE B 35 3.617 0.182 -8.557 1.00 0.00 O ATOM 732 CB ILE B 35 3.416 3.489 -8.343 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.369 4.553 -8.000 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.259 3.075 -9.810 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.769 5.888 -8.628 1.00 0.00 C ATOM 0 H ILE B 35 3.892 3.557 -5.936 1.00 0.00 H new ATOM 0 HA ILE B 35 2.163 1.956 -7.501 1.00 0.00 H new ATOM 0 HB ILE B 35 4.416 3.892 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.390 4.246 -8.367 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.285 4.659 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.409 3.944 -10.451 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.999 2.312 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.258 2.674 -9.970 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.023 6.644 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.739 6.197 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.831 5.777 -9.711 1.00 0.00 H new ATOM 747 N LEU B 36 5.372 1.186 -7.570 1.00 0.00 N ATOM 748 CA LEU B 36 6.312 0.142 -7.960 1.00 0.00 C ATOM 749 C LEU B 36 5.879 -1.195 -7.372 1.00 0.00 C ATOM 750 O LEU B 36 5.999 -2.236 -8.018 1.00 0.00 O ATOM 751 CB LEU B 36 7.726 0.489 -7.473 1.00 0.00 C ATOM 752 CG LEU B 36 8.726 -0.594 -7.912 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.758 -0.706 -9.447 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.118 -0.224 -7.391 1.00 0.00 C ATOM 0 H LEU B 36 5.782 1.949 -7.031 1.00 0.00 H new ATOM 0 HA LEU B 36 6.321 0.070 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.028 1.456 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.731 0.579 -6.387 1.00 0.00 H new ATOM 0 HG LEU B 36 8.418 -1.556 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.471 -1.477 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.766 -0.970 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.060 0.250 -9.875 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.835 -0.986 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.416 0.741 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.095 -0.163 -6.303 1.00 0.00 H new ATOM 766 N HIS B 37 5.370 -1.161 -6.144 1.00 0.00 N ATOM 767 CA HIS B 37 4.920 -2.382 -5.488 1.00 0.00 C ATOM 768 C HIS B 37 3.854 -3.061 -6.335 1.00 0.00 C ATOM 769 O HIS B 37 3.857 -4.282 -6.490 1.00 0.00 O ATOM 770 CB HIS B 37 4.338 -2.055 -4.113 1.00 0.00 C ATOM 771 CG HIS B 37 3.916 -3.330 -3.435 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.467 -3.752 -2.238 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.000 -4.291 -3.779 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.886 -4.919 -1.914 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.983 -5.292 -2.818 1.00 0.00 N ATOM 0 H HIS B 37 5.260 -0.312 -5.590 1.00 0.00 H new ATOM 0 HA HIS B 37 5.773 -3.050 -5.370 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.079 -1.535 -3.506 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.484 -1.385 -4.217 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.384 -4.272 -4.666 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.123 -5.487 -1.026 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.404 -6.132 -2.807 1.00 0.00 H new ATOM 783 N LEU B 38 2.946 -2.266 -6.887 1.00 0.00 N ATOM 784 CA LEU B 38 1.879 -2.813 -7.720 1.00 0.00 C ATOM 785 C LEU B 38 2.447 -3.534 -8.934 1.00 0.00 C ATOM 786 O LEU B 38 1.938 -4.580 -9.322 1.00 0.00 O ATOM 787 CB LEU B 38 0.930 -1.685 -8.177 1.00 0.00 C ATOM 788 CG LEU B 38 -0.225 -1.514 -7.169 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.802 -0.106 -7.272 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.333 -2.539 -7.473 1.00 0.00 C ATOM 0 H LEU B 38 2.925 -1.252 -6.776 1.00 0.00 H new ATOM 0 HA LEU B 38 1.321 -3.534 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.483 -0.750 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.529 -1.916 -9.164 1.00 0.00 H new ATOM 0 HG LEU B 38 0.158 -1.675 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.617 0.006 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.023 0.624 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.179 0.060 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.148 -2.416 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.709 -2.380 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.928 -3.548 -7.391 1.00 0.00 H new ATOM 802 N ILE B 39 3.484 -2.975 -9.535 1.00 0.00 N ATOM 803 CA ILE B 39 4.077 -3.589 -10.716 1.00 0.00 C ATOM 804 C ILE B 39 4.601 -4.988 -10.393 1.00 0.00 C ATOM 805 O ILE B 39 4.370 -5.934 -11.145 1.00 0.00 O ATOM 806 CB ILE B 39 5.233 -2.725 -11.217 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.760 -1.275 -11.387 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.742 -3.267 -12.556 1.00 0.00 C ATOM 809 CD1 ILE B 39 3.512 -1.209 -12.277 1.00 0.00 C ATOM 0 H ILE B 39 3.929 -2.109 -9.232 1.00 0.00 H new ATOM 0 HA ILE B 39 3.309 -3.668 -11.485 1.00 0.00 H new ATOM 0 HB ILE B 39 6.044 -2.753 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.539 -0.843 -10.411 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.558 -0.677 -11.827 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.566 -2.648 -12.909 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.088 -4.292 -12.426 1.00 0.00 H new ATOM 0 HG23 ILE B 39 4.934 -3.247 -13.287 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.195 -0.171 -12.383 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.744 -1.620 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE B 39 2.709 -1.789 -11.821 1.00 0.00 H new ATOM 821 N LEU B 40 5.311 -5.119 -9.278 1.00 0.00 N ATOM 822 CA LEU B 40 5.849 -6.421 -8.891 1.00 0.00 C ATOM 823 C LEU B 40 4.746 -7.342 -8.368 1.00 0.00 C ATOM 824 O LEU B 40 4.676 -8.512 -8.740 1.00 0.00 O ATOM 825 CB LEU B 40 6.924 -6.246 -7.814 1.00 0.00 C ATOM 826 CG LEU B 40 7.540 -7.606 -7.443 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.198 -8.253 -8.678 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.590 -7.390 -6.349 1.00 0.00 C ATOM 0 H LEU B 40 5.526 -4.356 -8.636 1.00 0.00 H new ATOM 0 HA LEU B 40 6.289 -6.879 -9.777 1.00 0.00 H new ATOM 0 HB2 LEU B 40 7.702 -5.574 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.488 -5.784 -6.928 1.00 0.00 H new ATOM 0 HG LEU B 40 6.756 -8.272 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.629 -9.214 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.447 -8.404 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.984 -7.599 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.034 -8.347 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.367 -6.721 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.117 -6.948 -5.472 1.00 0.00 H new ATOM 840 N TRP B 41 3.894 -6.810 -7.491 1.00 0.00 N ATOM 841 CA TRP B 41 2.813 -7.600 -6.911 1.00 0.00 C ATOM 842 C TRP B 41 1.844 -8.085 -7.986 1.00 0.00 C ATOM 843 O TRP B 41 1.481 -9.262 -8.015 1.00 0.00 O ATOM 844 CB TRP B 41 2.062 -6.766 -5.863 1.00 0.00 C ATOM 845 CG TRP B 41 0.809 -7.473 -5.437 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.732 -8.433 -4.485 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.548 -7.265 -5.916 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.587 -8.840 -4.369 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.412 -8.145 -5.228 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.107 -6.406 -6.876 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.780 -8.171 -5.487 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.487 -6.426 -7.132 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.318 -7.306 -6.439 1.00 0.00 C ATOM 0 H TRP B 41 3.932 -5.843 -7.170 1.00 0.00 H new ATOM 0 HA TRP B 41 3.251 -8.476 -6.432 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.703 -6.594 -4.998 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.814 -5.788 -6.276 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.562 -8.818 -3.911 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.908 -9.565 -3.727 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.470 -5.725 -7.421 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.421 -8.857 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.907 -5.757 -7.869 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.379 -7.317 -6.640 1.00 0.00 H new ATOM 864 N ILE B 42 1.419 -7.178 -8.854 1.00 0.00 N ATOM 865 CA ILE B 42 0.480 -7.544 -9.904 1.00 0.00 C ATOM 866 C ILE B 42 1.133 -8.522 -10.880 1.00 0.00 C ATOM 867 O ILE B 42 0.503 -9.476 -11.333 1.00 0.00 O ATOM 868 CB ILE B 42 0.003 -6.283 -10.648 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.266 -6.602 -11.447 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.089 -5.784 -11.617 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.850 -5.299 -11.990 1.00 0.00 C ATOM 0 H ILE B 42 1.704 -6.199 -8.853 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.383 -8.031 -9.451 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.204 -5.507 -9.911 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.034 -7.282 -12.267 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.995 -7.106 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.734 -4.892 -12.134 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.993 -5.543 -11.058 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.311 -6.562 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.753 -5.515 -12.560 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.095 -4.636 -11.160 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.119 -4.815 -12.638 1.00 0.00 H new ATOM 883 N LEU B 43 2.400 -8.271 -11.197 1.00 0.00 N ATOM 884 CA LEU B 43 3.130 -9.130 -12.118 1.00 0.00 C ATOM 885 C LEU B 43 3.262 -10.539 -11.551 1.00 0.00 C ATOM 886 O LEU B 43 3.110 -11.523 -12.273 1.00 0.00 O ATOM 887 CB LEU B 43 4.524 -8.544 -12.385 1.00 0.00 C ATOM 888 CG LEU B 43 5.327 -9.475 -13.311 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.559 -9.718 -14.620 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.678 -8.823 -13.623 1.00 0.00 C ATOM 0 H LEU B 43 2.938 -7.485 -10.832 1.00 0.00 H new ATOM 0 HA LEU B 43 2.574 -9.184 -13.054 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.430 -7.559 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.056 -8.410 -11.443 1.00 0.00 H new ATOM 0 HG LEU B 43 5.480 -10.432 -12.813 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.139 -10.378 -15.265 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.598 -10.181 -14.397 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.395 -8.767 -15.127 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.254 -9.476 -14.279 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.514 -7.865 -14.117 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.228 -8.664 -12.695 1.00 0.00 H new ATOM 902 N ASP B 44 3.559 -10.629 -10.260 1.00 0.00 N ATOM 903 CA ASP B 44 3.724 -11.929 -9.621 1.00 0.00 C ATOM 904 C ASP B 44 2.452 -12.757 -9.759 1.00 0.00 C ATOM 905 O ASP B 44 2.505 -13.944 -10.081 1.00 0.00 O ATOM 906 CB ASP B 44 4.055 -11.740 -8.143 1.00 0.00 C ATOM 907 CG ASP B 44 4.506 -13.066 -7.540 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.542 -13.561 -7.952 1.00 0.00 O ATOM 909 OD2 ASP B 44 3.808 -13.569 -6.674 1.00 0.00 O ATOM 0 H ASP B 44 3.689 -9.828 -9.642 1.00 0.00 H new ATOM 0 HA ASP B 44 4.541 -12.457 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.840 -10.993 -8.030 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.181 -11.367 -7.610 1.00 0.00 H new ATOM 914 N ARG B 45 1.311 -12.126 -9.518 1.00 0.00 N ATOM 915 CA ARG B 45 0.034 -12.816 -9.625 1.00 0.00 C ATOM 916 C ARG B 45 -0.269 -13.167 -11.080 1.00 0.00 C ATOM 917 O ARG B 45 -1.087 -14.043 -11.357 1.00 0.00 O ATOM 918 CB ARG B 45 -1.086 -11.935 -9.067 1.00 0.00 C ATOM 919 CG ARG B 45 -2.423 -12.668 -9.193 1.00 0.00 C ATOM 920 CD ARG B 45 -3.504 -11.895 -8.433 1.00 0.00 C ATOM 921 NE ARG B 45 -3.261 -11.976 -6.998 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.889 -11.173 -6.145 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.734 -10.282 -6.588 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.660 -11.275 -4.864 1.00 0.00 N ATOM 0 H ARG B 45 1.244 -11.144 -9.249 1.00 0.00 H new ATOM 0 HA ARG B 45 0.093 -13.738 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.888 -11.695 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.125 -10.990 -9.609 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.700 -12.763 -10.243 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.335 -13.678 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.508 -10.852 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -4.487 -12.304 -8.667 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.596 -12.662 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.913 -10.202 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -5.216 -9.666 -5.933 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.999 -11.971 -4.518 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.142 -10.659 -4.209 1.00 0.00 H new ATOM 1127 N VAL C 27 1.112 11.446 7.986 1.00 0.00 N ATOM 1128 CA VAL C 27 1.800 11.456 6.696 1.00 0.00 C ATOM 1129 C VAL C 27 3.119 10.686 6.770 1.00 0.00 C ATOM 1130 O VAL C 27 3.391 9.824 5.934 1.00 0.00 O ATOM 1131 CB VAL C 27 2.083 12.905 6.280 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.958 12.927 5.024 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.759 13.619 5.992 1.00 0.00 C ATOM 0 HA VAL C 27 1.157 10.972 5.961 1.00 0.00 H new ATOM 0 HB VAL C 27 2.607 13.414 7.089 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.154 13.960 4.735 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.902 12.422 5.229 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.442 12.415 4.212 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.958 14.649 5.696 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.236 13.104 5.186 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.139 13.612 6.889 1.00 0.00 H new ATOM 1143 N VAL C 28 3.931 11.001 7.772 1.00 0.00 N ATOM 1144 CA VAL C 28 5.216 10.329 7.937 1.00 0.00 C ATOM 1145 C VAL C 28 5.006 8.885 8.360 1.00 0.00 C ATOM 1146 O VAL C 28 5.678 7.975 7.874 1.00 0.00 O ATOM 1147 CB VAL C 28 6.056 11.060 8.982 1.00 0.00 C ATOM 1148 CG1 VAL C 28 5.370 10.991 10.344 1.00 0.00 C ATOM 1149 CG2 VAL C 28 7.441 10.414 9.072 1.00 0.00 C ATOM 0 H VAL C 28 3.727 11.710 8.476 1.00 0.00 H new ATOM 0 HA VAL C 28 5.742 10.342 6.983 1.00 0.00 H new ATOM 0 HB VAL C 28 6.161 12.104 8.688 1.00 0.00 H new ATOM 0 HG11 VAL C 28 5.976 11.515 11.083 1.00 0.00 H new ATOM 0 HG12 VAL C 28 4.388 11.460 10.281 1.00 0.00 H new ATOM 0 HG13 VAL C 28 5.256 9.949 10.641 1.00 0.00 H new ATOM 0 HG21 VAL C 28 8.039 10.937 9.818 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.337 9.368 9.359 1.00 0.00 H new ATOM 0 HG23 VAL C 28 7.935 10.476 8.103 1.00 0.00 H new ATOM 1159 N ALA C 29 4.069 8.688 9.274 1.00 0.00 N ATOM 1160 CA ALA C 29 3.769 7.350 9.771 1.00 0.00 C ATOM 1161 C ALA C 29 3.284 6.451 8.640 1.00 0.00 C ATOM 1162 O ALA C 29 3.663 5.285 8.557 1.00 0.00 O ATOM 1163 CB ALA C 29 2.694 7.419 10.857 1.00 0.00 C ATOM 0 H ALA C 29 3.505 9.431 9.686 1.00 0.00 H new ATOM 0 HA ALA C 29 4.684 6.932 10.190 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.479 6.414 11.220 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.050 8.035 11.683 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.786 7.857 10.443 1.00 0.00 H new ATOM 1169 N ALA C 30 2.445 6.999 7.770 1.00 0.00 N ATOM 1170 CA ALA C 30 1.921 6.224 6.653 1.00 0.00 C ATOM 1171 C ALA C 30 3.049 5.771 5.738 1.00 0.00 C ATOM 1172 O ALA C 30 3.067 4.628 5.277 1.00 0.00 O ATOM 1173 CB ALA C 30 0.926 7.068 5.854 1.00 0.00 C ATOM 0 H ALA C 30 2.116 7.964 7.814 1.00 0.00 H new ATOM 0 HA ALA C 30 1.416 5.344 7.053 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.539 6.482 5.021 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.102 7.368 6.501 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.428 7.956 5.470 1.00 0.00 H new ATOM 1179 N ASN C 31 3.991 6.670 5.475 1.00 0.00 N ATOM 1180 CA ASN C 31 5.118 6.344 4.612 1.00 0.00 C ATOM 1181 C ASN C 31 5.980 5.256 5.242 1.00 0.00 C ATOM 1182 O ASN C 31 6.415 4.326 4.562 1.00 0.00 O ATOM 1183 CB ASN C 31 5.967 7.596 4.375 1.00 0.00 C ATOM 1184 CG ASN C 31 5.193 8.611 3.537 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.315 8.197 2.663 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 5.397 9.816 3.682 1.00 0.00 N flip ATOM 0 H ASN C 31 3.997 7.621 5.843 1.00 0.00 H new ATOM 0 HA ASN C 31 4.731 5.978 3.661 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.246 8.040 5.330 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.893 7.325 3.867 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.083 10.139 4.365 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.880 10.492 3.120 1.00 0.00 H new ATOM 1193 N ILE C 32 6.225 5.376 6.544 1.00 0.00 N ATOM 1194 CA ILE C 32 7.039 4.393 7.250 1.00 0.00 C ATOM 1195 C ILE C 32 6.346 3.033 7.261 1.00 0.00 C ATOM 1196 O ILE C 32 6.973 2.002 7.020 1.00 0.00 O ATOM 1197 CB ILE C 32 7.291 4.863 8.687 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.179 6.108 8.663 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.997 3.754 9.475 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.205 6.742 10.056 1.00 0.00 C ATOM 0 H ILE C 32 5.875 6.137 7.126 1.00 0.00 H new ATOM 0 HA ILE C 32 7.993 4.292 6.732 1.00 0.00 H new ATOM 0 HB ILE C 32 6.339 5.098 9.164 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.190 5.841 8.354 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.801 6.824 7.933 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.175 4.090 10.496 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.370 2.863 9.491 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.949 3.519 8.999 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.838 7.629 10.040 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.193 7.023 10.347 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.603 6.025 10.774 1.00 0.00 H new ATOM 1212 N ILE C 33 5.045 3.041 7.543 1.00 0.00 N ATOM 1213 CA ILE C 33 4.272 1.804 7.585 1.00 0.00 C ATOM 1214 C ILE C 33 4.227 1.145 6.208 1.00 0.00 C ATOM 1215 O ILE C 33 4.391 -0.070 6.087 1.00 0.00 O ATOM 1216 CB ILE C 33 2.848 2.099 8.072 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.888 2.507 9.550 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.972 0.854 7.912 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.530 3.085 9.960 1.00 0.00 C ATOM 0 H ILE C 33 4.508 3.884 7.744 1.00 0.00 H new ATOM 0 HA ILE C 33 4.756 1.116 8.278 1.00 0.00 H new ATOM 0 HB ILE C 33 2.428 2.911 7.478 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.129 1.643 10.170 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.673 3.245 9.713 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.962 1.072 8.260 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.939 0.565 6.862 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.390 0.037 8.500 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.560 3.374 11.010 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.307 3.960 9.349 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.755 2.333 9.813 1.00 0.00 H new ATOM 1231 N GLY C 34 3.998 1.948 5.173 1.00 0.00 N ATOM 1232 CA GLY C 34 3.928 1.419 3.813 1.00 0.00 C ATOM 1233 C GLY C 34 5.256 0.792 3.400 1.00 0.00 C ATOM 1234 O GLY C 34 5.296 -0.316 2.857 1.00 0.00 O ATOM 0 H GLY C 34 3.859 2.956 5.247 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.135 0.674 3.749 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.669 2.220 3.121 1.00 0.00 H new ATOM 1238 N ILE C 35 6.345 1.505 3.664 1.00 0.00 N ATOM 1239 CA ILE C 35 7.671 1.009 3.318 1.00 0.00 C ATOM 1240 C ILE C 35 7.978 -0.263 4.102 1.00 0.00 C ATOM 1241 O ILE C 35 8.505 -1.231 3.554 1.00 0.00 O ATOM 1242 CB ILE C 35 8.719 2.079 3.628 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.525 3.264 2.675 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.121 1.495 3.432 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.318 4.467 3.186 1.00 0.00 C ATOM 0 H ILE C 35 6.337 2.421 4.113 1.00 0.00 H new ATOM 0 HA ILE C 35 7.697 0.779 2.253 1.00 0.00 H new ATOM 0 HB ILE C 35 8.607 2.413 4.660 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.857 2.996 1.672 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.467 3.517 2.603 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.867 2.258 3.653 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.259 0.647 4.103 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.236 1.163 2.400 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.179 5.309 2.508 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.965 4.740 4.180 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.376 4.211 3.235 1.00 0.00 H new ATOM 1257 N LEU C 36 7.639 -0.257 5.387 1.00 0.00 N ATOM 1258 CA LEU C 36 7.881 -1.416 6.236 1.00 0.00 C ATOM 1259 C LEU C 36 7.130 -2.625 5.695 1.00 0.00 C ATOM 1260 O LEU C 36 7.634 -3.749 5.728 1.00 0.00 O ATOM 1261 CB LEU C 36 7.434 -1.126 7.674 1.00 0.00 C ATOM 1262 CG LEU C 36 7.721 -2.336 8.580 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.229 -2.645 8.600 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.239 -2.017 9.998 1.00 0.00 C ATOM 0 H LEU C 36 7.199 0.532 5.860 1.00 0.00 H new ATOM 0 HA LEU C 36 8.950 -1.630 6.236 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.956 -0.248 8.054 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.369 -0.896 7.691 1.00 0.00 H new ATOM 0 HG LEU C 36 7.195 -3.209 8.195 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.416 -3.503 9.245 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.568 -2.871 7.589 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.773 -1.780 8.980 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.437 -2.868 10.650 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.768 -1.141 10.374 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.168 -1.815 9.981 1.00 0.00 H new ATOM 1276 N HIS C 37 5.922 -2.391 5.193 1.00 0.00 N ATOM 1277 CA HIS C 37 5.117 -3.475 4.648 1.00 0.00 C ATOM 1278 C HIS C 37 5.877 -4.168 3.526 1.00 0.00 C ATOM 1279 O HIS C 37 5.872 -5.395 3.426 1.00 0.00 O ATOM 1280 CB HIS C 37 3.799 -2.925 4.100 1.00 0.00 C ATOM 1281 CG HIS C 37 2.967 -4.065 3.576 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.725 -4.374 4.100 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.190 -4.980 2.581 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.257 -5.439 3.425 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.109 -5.846 2.487 1.00 0.00 N ATOM 0 H HIS C 37 5.484 -1.471 5.153 1.00 0.00 H new ATOM 0 HA HIS C 37 4.907 -4.190 5.443 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.258 -2.395 4.884 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.994 -2.206 3.305 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.074 -5.021 1.962 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.304 -5.908 3.621 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.993 -6.625 1.839 1.00 0.00 H new ATOM 1293 N LEU C 38 6.535 -3.379 2.685 1.00 0.00 N ATOM 1294 CA LEU C 38 7.298 -3.937 1.572 1.00 0.00 C ATOM 1295 C LEU C 38 8.404 -4.856 2.076 1.00 0.00 C ATOM 1296 O LEU C 38 8.656 -5.897 1.478 1.00 0.00 O ATOM 1297 CB LEU C 38 7.905 -2.803 0.722 1.00 0.00 C ATOM 1298 CG LEU C 38 6.938 -2.405 -0.413 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.225 -0.974 -0.864 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.118 -3.358 -1.607 1.00 0.00 C ATOM 0 H LEU C 38 6.557 -2.361 2.750 1.00 0.00 H new ATOM 0 HA LEU C 38 6.618 -4.523 0.955 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.112 -1.938 1.352 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.857 -3.125 0.301 1.00 0.00 H new ATOM 0 HG LEU C 38 5.915 -2.470 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.539 -0.700 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.091 -0.294 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.251 -0.905 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.433 -3.073 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.144 -3.297 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.904 -4.380 -1.293 1.00 0.00 H new ATOM 1312 N ILE C 39 9.064 -4.466 3.154 1.00 0.00 N ATOM 1313 CA ILE C 39 10.152 -5.276 3.689 1.00 0.00 C ATOM 1314 C ILE C 39 9.645 -6.659 4.098 1.00 0.00 C ATOM 1315 O ILE C 39 10.271 -7.672 3.785 1.00 0.00 O ATOM 1316 CB ILE C 39 10.752 -4.583 4.912 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.113 -3.132 4.560 1.00 0.00 C ATOM 1318 CG2 ILE C 39 12.006 -5.333 5.371 1.00 0.00 C ATOM 1319 CD1 ILE C 39 12.012 -3.079 3.322 1.00 0.00 C ATOM 0 H ILE C 39 8.872 -3.608 3.671 1.00 0.00 H new ATOM 0 HA ILE C 39 10.910 -5.391 2.914 1.00 0.00 H new ATOM 0 HB ILE C 39 10.020 -4.585 5.720 1.00 0.00 H new ATOM 0 HG12 ILE C 39 10.203 -2.560 4.379 1.00 0.00 H new ATOM 0 HG13 ILE C 39 11.621 -2.664 5.404 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.429 -4.834 6.243 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.742 -6.358 5.632 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.740 -5.341 4.566 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.254 -2.041 3.092 1.00 0.00 H new ATOM 0 HD12 ILE C 39 12.931 -3.632 3.516 1.00 0.00 H new ATOM 0 HD13 ILE C 39 11.492 -3.526 2.475 1.00 0.00 H new ATOM 1331 N LEU C 40 8.518 -6.705 4.798 1.00 0.00 N ATOM 1332 CA LEU C 40 7.961 -7.985 5.227 1.00 0.00 C ATOM 1333 C LEU C 40 7.333 -8.736 4.052 1.00 0.00 C ATOM 1334 O LEU C 40 7.549 -9.935 3.885 1.00 0.00 O ATOM 1335 CB LEU C 40 6.908 -7.761 6.318 1.00 0.00 C ATOM 1336 CG LEU C 40 6.363 -9.107 6.819 1.00 0.00 C ATOM 1337 CD1 LEU C 40 7.499 -9.959 7.421 1.00 0.00 C ATOM 1338 CD2 LEU C 40 5.296 -8.839 7.887 1.00 0.00 C ATOM 0 H LEU C 40 7.978 -5.886 5.078 1.00 0.00 H new ATOM 0 HA LEU C 40 8.776 -8.590 5.625 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.347 -7.207 7.148 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.092 -7.154 5.926 1.00 0.00 H new ATOM 0 HG LEU C 40 5.928 -9.655 5.983 1.00 0.00 H new ATOM 0 HD11 LEU C 40 7.095 -10.909 7.771 1.00 0.00 H new ATOM 0 HD12 LEU C 40 8.257 -10.145 6.660 1.00 0.00 H new ATOM 0 HD13 LEU C 40 7.949 -9.426 8.258 1.00 0.00 H new ATOM 0 HD21 LEU C 40 4.900 -9.787 8.252 1.00 0.00 H new ATOM 0 HD22 LEU C 40 5.741 -8.289 8.716 1.00 0.00 H new ATOM 0 HD23 LEU C 40 4.487 -8.251 7.454 1.00 0.00 H new ATOM 1350 N TRP C 41 6.541 -8.025 3.250 1.00 0.00 N ATOM 1351 CA TRP C 41 5.872 -8.642 2.108 1.00 0.00 C ATOM 1352 C TRP C 41 6.883 -9.179 1.100 1.00 0.00 C ATOM 1353 O TRP C 41 6.763 -10.314 0.639 1.00 0.00 O ATOM 1354 CB TRP C 41 4.946 -7.620 1.431 1.00 0.00 C ATOM 1355 CG TRP C 41 4.444 -8.158 0.125 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.376 -8.977 -0.028 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.954 -7.902 -1.211 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.219 -9.256 -1.376 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.167 -8.611 -2.144 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.024 -7.129 -1.700 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.430 -8.555 -3.511 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.283 -7.069 -3.079 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.488 -7.781 -3.978 1.00 0.00 C ATOM 0 H TRP C 41 6.349 -7.030 3.369 1.00 0.00 H new ATOM 0 HA TRP C 41 5.280 -9.482 2.473 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.105 -7.392 2.086 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.483 -6.686 1.265 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.750 -9.351 0.769 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.492 -9.863 -1.754 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.649 -6.579 -1.011 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.816 -9.110 -4.205 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.102 -6.468 -3.446 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.694 -7.731 -5.037 1.00 0.00 H new ATOM 1374 N ILE C 42 7.864 -8.362 0.749 1.00 0.00 N ATOM 1375 CA ILE C 42 8.867 -8.779 -0.220 1.00 0.00 C ATOM 1376 C ILE C 42 9.701 -9.926 0.347 1.00 0.00 C ATOM 1377 O ILE C 42 10.032 -10.876 -0.362 1.00 0.00 O ATOM 1378 CB ILE C 42 9.771 -7.591 -0.592 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.531 -7.905 -1.885 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.787 -7.312 0.528 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.248 -6.639 -2.359 1.00 0.00 C ATOM 0 H ILE C 42 7.987 -7.418 1.115 1.00 0.00 H new ATOM 0 HA ILE C 42 8.363 -9.128 -1.121 1.00 0.00 H new ATOM 0 HB ILE C 42 9.142 -6.712 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.252 -8.705 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.841 -8.257 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.417 -6.468 0.246 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.256 -7.076 1.450 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.409 -8.194 0.683 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.792 -6.852 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.515 -5.854 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.948 -6.308 -1.592 1.00 0.00 H new ATOM 1393 N LEU C 43 10.038 -9.824 1.628 1.00 0.00 N ATOM 1394 CA LEU C 43 10.835 -10.852 2.282 1.00 0.00 C ATOM 1395 C LEU C 43 10.089 -12.183 2.298 1.00 0.00 C ATOM 1396 O LEU C 43 10.679 -13.237 2.063 1.00 0.00 O ATOM 1397 CB LEU C 43 11.164 -10.426 3.718 1.00 0.00 C ATOM 1398 CG LEU C 43 11.955 -11.529 4.441 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.228 -11.875 3.654 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.334 -11.039 5.842 1.00 0.00 C ATOM 0 H LEU C 43 9.773 -9.044 2.230 1.00 0.00 H new ATOM 0 HA LEU C 43 11.761 -10.978 1.721 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.744 -9.503 3.706 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.243 -10.216 4.261 1.00 0.00 H new ATOM 0 HG LEU C 43 11.336 -12.423 4.516 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.778 -12.657 4.177 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.956 -12.227 2.659 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.854 -10.987 3.567 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.895 -11.817 6.360 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.948 -10.142 5.760 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.429 -10.809 6.404 1.00 0.00 H new ATOM 1412 N ASP C 44 8.795 -12.130 2.592 1.00 0.00 N ATOM 1413 CA ASP C 44 7.992 -13.342 2.649 1.00 0.00 C ATOM 1414 C ASP C 44 8.031 -14.075 1.313 1.00 0.00 C ATOM 1415 O ASP C 44 8.196 -15.294 1.267 1.00 0.00 O ATOM 1416 CB ASP C 44 6.546 -12.994 3.001 1.00 0.00 C ATOM 1417 CG ASP C 44 5.775 -14.263 3.343 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.102 -14.881 4.342 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.867 -14.598 2.599 1.00 0.00 O ATOM 0 H ASP C 44 8.285 -11.270 2.792 1.00 0.00 H new ATOM 0 HA ASP C 44 8.406 -13.993 3.419 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.524 -12.306 3.846 1.00 0.00 H new ATOM 0 HB3 ASP C 44 6.071 -12.484 2.163 1.00 0.00 H new ATOM 1424 N ARG C 45 7.884 -13.325 0.229 1.00 0.00 N ATOM 1425 CA ARG C 45 7.909 -13.916 -1.100 1.00 0.00 C ATOM 1426 C ARG C 45 9.308 -14.426 -1.435 1.00 0.00 C ATOM 1427 O ARG C 45 9.478 -15.259 -2.326 1.00 0.00 O ATOM 1428 CB ARG C 45 7.479 -12.881 -2.142 1.00 0.00 C ATOM 1429 CG ARG C 45 7.519 -13.510 -3.537 1.00 0.00 C ATOM 1430 CD ARG C 45 6.875 -12.560 -4.546 1.00 0.00 C ATOM 1431 NE ARG C 45 5.438 -12.473 -4.307 1.00 0.00 N ATOM 1432 CZ ARG C 45 4.703 -11.517 -4.864 1.00 0.00 C ATOM 1433 NH1 ARG C 45 5.265 -10.625 -5.632 1.00 0.00 N ATOM 1434 NH2 ARG C 45 3.418 -11.471 -4.643 1.00 0.00 N ATOM 0 H ARG C 45 7.747 -12.314 0.244 1.00 0.00 H new ATOM 0 HA ARG C 45 7.215 -14.756 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.473 -12.524 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.140 -12.015 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.550 -13.717 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.991 -14.464 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG C 45 7.326 -11.571 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG C 45 7.062 -12.913 -5.560 1.00 0.00 H new ATOM 0 HE ARG C 45 4.989 -13.160 -3.701 1.00 0.00 H new ATOM 0 HH11 ARG C 45 6.270 -10.661 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG C 45 4.700 -9.891 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG C 45 2.978 -12.169 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG C 45 2.853 -10.737 -5.070 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.712 12.155 2.193 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.426 11.958 2.861 1.00 0.00 C ATOM 1639 C VAL D 27 -5.582 11.093 4.110 1.00 0.00 C ATOM 1640 O VAL D 27 -4.851 10.119 4.296 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.842 13.320 3.254 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.586 13.126 4.107 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.481 14.104 1.990 1.00 0.00 C ATOM 0 HA VAL D 27 -4.755 11.447 2.171 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.584 13.872 3.831 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -3.178 14.099 4.381 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.842 12.572 5.010 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.842 12.568 3.538 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -4.066 15.072 2.269 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.744 13.545 1.414 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.376 14.253 1.386 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.536 11.452 4.962 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.772 10.696 6.188 1.00 0.00 C ATOM 1655 C VAL D 28 -7.362 9.334 5.865 1.00 0.00 C ATOM 1656 O VAL D 28 -6.982 8.321 6.451 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.723 11.469 7.102 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -9.085 11.617 6.432 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.880 10.724 8.428 1.00 0.00 C ATOM 0 H VAL D 28 -7.153 12.253 4.829 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.819 10.554 6.698 1.00 0.00 H new ATOM 0 HB VAL D 28 -7.310 12.460 7.290 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.756 12.169 7.090 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.972 12.158 5.493 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -9.502 10.630 6.234 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.558 11.277 9.078 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -8.286 9.730 8.241 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.907 10.633 8.912 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.296 9.323 4.928 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.946 8.081 4.526 1.00 0.00 C ATOM 1671 C ALA D 29 -7.929 7.103 3.951 1.00 0.00 C ATOM 1672 O ALA D 29 -7.981 5.907 4.230 1.00 0.00 O ATOM 1673 CB ALA D 29 -10.024 8.365 3.479 1.00 0.00 C ATOM 0 H ALA D 29 -8.621 10.153 4.433 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.405 7.637 5.409 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.502 7.430 3.186 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.771 9.039 3.899 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.568 8.829 2.604 1.00 0.00 H new ATOM 1679 N ALA D 30 -7.005 7.614 3.149 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.989 6.764 2.544 1.00 0.00 C ATOM 1681 C ALA D 30 -5.127 6.113 3.617 1.00 0.00 C ATOM 1682 O ALA D 30 -4.803 4.928 3.534 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.102 7.591 1.612 1.00 0.00 C ATOM 0 H ALA D 30 -6.938 8.602 2.904 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.491 5.984 1.972 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.345 6.947 1.164 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.713 8.034 0.826 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.614 8.382 2.181 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.758 6.894 4.628 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.932 6.375 5.711 1.00 0.00 C ATOM 1691 C ASN D 31 -4.681 5.297 6.489 1.00 0.00 C ATOM 1692 O ASN D 31 -4.112 4.263 6.835 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.548 7.514 6.659 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.601 8.488 5.963 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.789 8.053 5.034 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 -2.595 9.677 6.275 1.00 0.00 N flip ATOM 0 H ASN D 31 -5.015 7.877 4.719 1.00 0.00 H new ATOM 0 HA ASN D 31 -3.032 5.936 5.280 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.444 8.040 6.988 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -3.071 7.108 7.551 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -3.228 10.017 6.999 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -1.957 10.323 5.810 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.958 5.546 6.762 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.768 4.585 7.504 1.00 0.00 C ATOM 1705 C ILE D 32 -6.942 3.299 6.697 1.00 0.00 C ATOM 1706 O ILE D 32 -6.819 2.198 7.233 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.140 5.193 7.814 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.970 6.348 8.804 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.048 4.127 8.438 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.279 7.134 8.902 1.00 0.00 C ATOM 0 H ILE D 32 -6.450 6.395 6.484 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.259 4.346 8.438 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.589 5.559 6.891 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.691 5.962 9.785 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.163 7.004 8.478 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.023 4.562 8.657 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.169 3.299 7.740 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.598 3.761 9.361 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.158 7.956 9.607 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.539 7.532 7.921 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.075 6.474 9.248 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.227 3.451 5.409 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.415 2.298 4.536 1.00 0.00 C ATOM 1724 C ILE D 33 -6.123 1.490 4.415 1.00 0.00 C ATOM 1725 O ILE D 33 -6.144 0.261 4.474 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.873 2.768 3.149 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.294 3.335 3.243 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.859 1.592 2.170 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.643 4.065 1.943 1.00 0.00 C ATOM 0 H ILE D 33 -7.332 4.355 4.948 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.180 1.655 4.971 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.193 3.542 2.792 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -10.006 2.530 3.422 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.368 4.020 4.088 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.185 1.933 1.187 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.848 1.191 2.098 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.534 0.814 2.527 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.654 4.467 2.012 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.938 4.881 1.783 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.586 3.367 1.107 1.00 0.00 H new ATOM 1741 N GLY D 34 -5.004 2.185 4.237 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.716 1.510 4.103 1.00 0.00 C ATOM 1743 C GLY D 34 -3.370 0.732 5.369 1.00 0.00 C ATOM 1744 O GLY D 34 -2.962 -0.431 5.308 1.00 0.00 O ATOM 0 H GLY D 34 -4.961 3.203 4.183 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.745 0.831 3.251 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.937 2.244 3.899 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.544 1.375 6.516 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.253 0.734 7.791 1.00 0.00 C ATOM 1750 C ILE D 35 -4.179 -0.463 8.001 1.00 0.00 C ATOM 1751 O ILE D 35 -3.743 -1.529 8.437 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.431 1.739 8.931 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.346 2.817 8.826 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.299 1.018 10.276 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.707 3.995 9.733 1.00 0.00 C ATOM 0 H ILE D 35 -3.883 2.334 6.590 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.221 0.383 7.783 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.417 2.199 8.861 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.379 2.404 9.115 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.252 3.154 7.794 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.426 1.735 11.087 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.064 0.246 10.351 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.313 0.560 10.348 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.936 4.761 9.658 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.665 4.413 9.423 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.778 3.651 10.765 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.455 -0.280 7.684 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.433 -1.349 7.842 1.00 0.00 C ATOM 1769 C LEU D 36 -6.039 -2.544 6.982 1.00 0.00 C ATOM 1770 O LEU D 36 -6.198 -3.695 7.391 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.829 -0.859 7.439 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.868 -1.975 7.634 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.916 -2.411 9.110 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.244 -1.457 7.203 1.00 0.00 C ATOM 0 H LEU D 36 -5.835 0.593 7.318 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.454 -1.650 8.889 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.103 0.010 8.038 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.822 -0.539 6.397 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.589 -2.836 7.027 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.656 -3.202 9.232 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -7.936 -2.781 9.412 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.189 -1.559 9.732 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.987 -2.243 7.338 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.514 -0.593 7.811 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.211 -1.166 6.153 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.519 -2.268 5.791 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.107 -3.336 4.890 1.00 0.00 C ATOM 1788 C HIS D 37 -4.069 -4.215 5.572 1.00 0.00 C ATOM 1789 O HIS D 37 -4.113 -5.440 5.464 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.504 -2.744 3.617 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.122 -3.860 2.682 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.683 -3.999 1.426 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.240 -4.900 2.813 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.136 -5.087 0.859 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.251 -5.674 1.661 1.00 0.00 N ATOM 0 H HIS D 37 -5.374 -1.325 5.431 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.981 -3.934 4.633 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.222 -2.080 3.135 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.628 -2.143 3.861 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.628 -5.089 3.682 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.385 -5.443 -0.130 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.700 -6.511 1.470 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.138 -3.587 6.282 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.095 -4.333 6.981 1.00 0.00 C ATOM 1805 C LEU D 38 -2.696 -5.277 8.013 1.00 0.00 C ATOM 1806 O LEU D 38 -2.222 -6.397 8.169 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.113 -3.359 7.667 1.00 0.00 C ATOM 1808 CG LEU D 38 0.055 -3.014 6.718 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.677 -1.679 7.121 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.126 -4.116 6.790 1.00 0.00 C ATOM 0 H LEU D 38 -3.083 -2.574 6.389 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.555 -4.929 6.246 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.637 -2.448 7.955 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.726 -3.807 8.582 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.327 -2.942 5.700 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.500 -1.443 6.447 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.077 -0.894 7.062 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.052 -1.746 8.142 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.948 -3.869 6.119 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.501 -4.193 7.811 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.688 -5.069 6.492 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.720 -4.823 8.719 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.341 -5.653 9.743 1.00 0.00 C ATOM 1824 C ILE D 39 -4.908 -6.935 9.130 1.00 0.00 C ATOM 1825 O ILE D 39 -4.714 -8.026 9.666 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.473 -4.879 10.415 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.954 -3.514 10.890 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.009 -5.676 11.608 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -3.711 -3.680 11.773 1.00 0.00 C ATOM 0 H ILE D 39 -4.135 -3.898 8.606 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.581 -5.917 10.478 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.280 -4.726 9.698 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.713 -2.892 10.028 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -5.735 -2.997 11.448 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.816 -5.120 12.084 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.386 -6.639 11.263 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.206 -5.838 12.328 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -3.362 -2.700 12.097 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -3.963 -4.283 12.646 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -2.924 -4.176 11.204 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.612 -6.804 8.012 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.190 -7.975 7.357 1.00 0.00 C ATOM 1843 C LEU D 40 -5.112 -8.800 6.652 1.00 0.00 C ATOM 1844 O LEU D 40 -5.083 -10.025 6.766 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.252 -7.539 6.342 1.00 0.00 C ATOM 1846 CG LEU D 40 -7.908 -8.770 5.694 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -8.598 -9.641 6.762 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.942 -8.292 4.667 1.00 0.00 C ATOM 0 H LEU D 40 -5.795 -5.916 7.545 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.653 -8.596 8.124 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -8.010 -6.932 6.837 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -6.796 -6.915 5.574 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.142 -9.372 5.204 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.056 -10.507 6.285 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -7.860 -9.977 7.490 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.367 -9.056 7.267 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.416 -9.155 4.199 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.700 -7.689 5.167 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.446 -7.692 3.904 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.240 -8.121 5.910 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.180 -8.807 5.174 1.00 0.00 C ATOM 1862 C TRP D 41 -2.236 -9.540 6.122 1.00 0.00 C ATOM 1863 O TRP D 41 -1.909 -10.707 5.900 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.396 -7.793 4.326 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.163 -8.436 3.761 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.111 -9.174 2.629 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.198 -8.378 4.273 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.192 -9.593 2.429 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.037 -9.123 3.415 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.778 -7.761 5.393 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.400 -9.249 3.661 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.154 -7.882 5.638 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.961 -8.624 4.774 1.00 0.00 C ATOM 0 H TRP D 41 -4.245 -7.107 5.803 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.641 -9.547 4.520 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.025 -7.421 3.517 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.120 -6.933 4.936 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.949 -9.399 1.986 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.492 -10.178 1.649 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.161 -7.189 6.070 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.021 -9.828 2.993 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.591 -7.399 6.499 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.020 -8.714 4.968 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.787 -8.854 7.162 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.868 -9.466 8.112 1.00 0.00 C ATOM 1886 C ILE D 42 -1.561 -10.605 8.856 1.00 0.00 C ATOM 1887 O ILE D 42 -0.967 -11.655 9.095 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.358 -8.409 9.106 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.894 -8.932 9.820 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.433 -8.089 10.157 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.516 -7.796 10.631 1.00 0.00 C ATOM 0 H ILE D 42 -2.039 -7.887 7.369 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.017 -9.875 7.568 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.121 -7.502 8.550 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.634 -9.764 10.475 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.611 -9.312 9.092 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.052 -7.339 10.850 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.324 -7.705 9.661 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.686 -8.996 10.706 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.407 -8.160 11.142 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.789 -6.979 9.963 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.796 -7.438 11.367 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.820 -10.386 9.218 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.587 -11.395 9.936 1.00 0.00 C ATOM 1905 C LEU D 43 -3.760 -12.646 9.082 1.00 0.00 C ATOM 1906 O LEU D 43 -3.646 -13.767 9.578 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.962 -10.834 10.319 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.805 -11.911 11.024 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.056 -12.452 12.254 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.137 -11.295 11.465 1.00 0.00 C ATOM 0 H LEU D 43 -3.329 -9.523 9.027 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.042 -11.663 10.841 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.840 -9.972 10.975 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.480 -10.484 9.426 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.987 -12.735 10.333 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.663 -13.213 12.744 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.109 -12.890 11.940 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -4.865 -11.636 12.951 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.740 -12.052 11.966 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -6.947 -10.470 12.152 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.673 -10.923 10.592 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.050 -12.452 7.802 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.252 -13.577 6.900 1.00 0.00 C ATOM 1924 C ASP D 44 -3.009 -14.458 6.859 1.00 0.00 C ATOM 1925 O ASP D 44 -3.104 -15.686 6.921 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.566 -13.068 5.494 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.056 -14.219 4.623 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.115 -14.748 4.915 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.363 -14.555 3.677 1.00 0.00 O ATOM 0 H ASP D 44 -4.150 -11.534 7.368 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.091 -14.168 7.267 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.325 -12.288 5.542 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.676 -12.620 5.053 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.847 -13.830 6.760 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.593 -14.572 6.718 1.00 0.00 C ATOM 1936 C ARG D 45 -0.314 -15.232 8.064 1.00 0.00 C ATOM 1937 O ARG D 45 0.473 -16.173 8.151 1.00 0.00 O ATOM 1938 CB ARG D 45 0.559 -13.630 6.360 1.00 0.00 C ATOM 1939 CG ARG D 45 1.871 -14.417 6.328 1.00 0.00 C ATOM 1940 CD ARG D 45 2.980 -13.538 5.751 1.00 0.00 C ATOM 1941 NE ARG D 45 2.748 -13.305 4.331 1.00 0.00 N ATOM 1942 CZ ARG D 45 3.407 -12.358 3.671 1.00 0.00 C ATOM 1943 NH1 ARG D 45 4.273 -11.609 4.294 1.00 0.00 N ATOM 1944 NH2 ARG D 45 3.186 -12.180 2.397 1.00 0.00 N ATOM 0 H ARG D 45 -1.745 -12.817 6.708 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.678 -15.348 5.957 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.376 -13.167 5.390 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.624 -12.824 7.091 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.137 -14.742 7.334 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.753 -15.316 5.723 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.014 -12.587 6.282 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.948 -14.019 5.895 1.00 0.00 H new ATOM 0 HE ARG D 45 2.067 -13.880 3.834 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.446 -11.749 5.289 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.778 -10.883 3.786 1.00 0.00 H new ATOM 0 HH21 ARG D 45 2.509 -12.767 1.910 1.00 0.00 H new ATOM 0 HH22 ARG D 45 3.691 -11.454 1.888 1.00 0.00 H new