USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=0 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 : amide:sc= -6.44! C(o=-6.4!,f=-16!) USER MOD Single : A 37 HIS : no HD1:sc= -9.98! C(o=-10!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -6.56! C(o=-6.6!,f=-16!) USER MOD Single : B 37 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -6.39! C(o=-6.4!,f=-15!) USER MOD Single : C 37 HIS : no HD1:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : D 31 ASN : amide:sc= -6.47! C(o=-6.5!,f=-15!) USER MOD Single : D 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.969 13.024 -5.474 1.00 0.00 N ATOM 108 CA VAL A 27 -1.658 12.770 -4.213 1.00 0.00 C ATOM 109 C VAL A 27 -2.999 12.088 -4.465 1.00 0.00 C ATOM 110 O VAL A 27 -3.335 11.097 -3.812 1.00 0.00 O ATOM 111 CB VAL A 27 -1.879 14.088 -3.464 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.752 13.845 -2.228 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.525 14.653 -3.025 1.00 0.00 C ATOM 0 HA VAL A 27 -1.039 12.110 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.380 14.797 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.905 14.786 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.716 13.441 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.256 13.134 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.678 15.591 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.028 13.939 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.096 14.832 -3.902 1.00 0.00 H new ATOM 123 N VAL A 28 -3.758 12.624 -5.416 1.00 0.00 N ATOM 124 CA VAL A 28 -5.064 12.065 -5.748 1.00 0.00 C ATOM 125 C VAL A 28 -4.911 10.644 -6.273 1.00 0.00 C ATOM 126 O VAL A 28 -5.639 9.738 -5.870 1.00 0.00 O ATOM 127 CB VAL A 28 -5.748 12.934 -6.806 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.085 12.302 -7.201 1.00 0.00 C ATOM 129 CG2 VAL A 28 -5.995 14.331 -6.233 1.00 0.00 C ATOM 0 H VAL A 28 -3.493 13.440 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.676 12.045 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.108 13.008 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.572 12.921 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.911 11.306 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.726 12.228 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.482 14.952 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.635 14.256 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.044 14.782 -5.951 1.00 0.00 H new ATOM 139 N ALA A 29 -3.953 10.454 -7.172 1.00 0.00 N ATOM 140 CA ALA A 29 -3.704 9.137 -7.745 1.00 0.00 C ATOM 141 C ALA A 29 -3.189 8.176 -6.677 1.00 0.00 C ATOM 142 O ALA A 29 -3.509 6.991 -6.693 1.00 0.00 O ATOM 143 CB ALA A 29 -2.684 9.240 -8.880 1.00 0.00 C ATOM 0 H ALA A 29 -3.339 11.191 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.644 8.752 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.506 8.250 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.070 9.900 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.748 9.643 -8.493 1.00 0.00 H new ATOM 149 N ALA A 30 -2.384 8.693 -5.756 1.00 0.00 N ATOM 150 CA ALA A 30 -1.819 7.860 -4.700 1.00 0.00 C ATOM 151 C ALA A 30 -2.912 7.109 -3.943 1.00 0.00 C ATOM 152 O ALA A 30 -2.831 5.893 -3.776 1.00 0.00 O ATOM 153 CB ALA A 30 -1.029 8.727 -3.725 1.00 0.00 C ATOM 0 H ALA A 30 -2.110 9.675 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.158 7.128 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.609 8.100 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.222 9.230 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.691 9.471 -3.282 1.00 0.00 H new ATOM 159 N ASN A 31 -3.932 7.831 -3.490 1.00 0.00 N ATOM 160 CA ASN A 31 -5.023 7.191 -2.757 1.00 0.00 C ATOM 161 C ASN A 31 -5.798 6.235 -3.665 1.00 0.00 C ATOM 162 O ASN A 31 -6.189 5.147 -3.244 1.00 0.00 O ATOM 163 CB ASN A 31 -5.978 8.248 -2.193 1.00 0.00 C ATOM 164 CG ASN A 31 -6.286 9.289 -3.257 1.00 0.00 C ATOM 165 OD1 ASN A 31 -5.449 10.136 -3.549 1.00 0.00 O ATOM 166 ND2 ASN A 31 -7.443 9.277 -3.858 1.00 0.00 N ATOM 0 H ASN A 31 -4.028 8.839 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.589 6.622 -1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.901 7.775 -1.857 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.531 8.727 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.654 9.973 -4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.138 8.571 -3.613 1.00 0.00 H new ATOM 173 N ILE A 32 -6.013 6.647 -4.911 1.00 0.00 N ATOM 174 CA ILE A 32 -6.745 5.818 -5.867 1.00 0.00 C ATOM 175 C ILE A 32 -5.985 4.521 -6.142 1.00 0.00 C ATOM 176 O ILE A 32 -6.579 3.447 -6.212 1.00 0.00 O ATOM 177 CB ILE A 32 -6.960 6.586 -7.177 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.917 7.755 -6.923 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.568 5.653 -8.228 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.941 8.676 -8.146 1.00 0.00 C ATOM 0 H ILE A 32 -5.694 7.542 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.715 5.570 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.003 6.963 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.920 7.379 -6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.600 8.313 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.720 6.202 -9.158 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.892 4.817 -8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.526 5.276 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.623 9.507 -7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.939 9.063 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.279 8.115 -9.017 1.00 0.00 H new ATOM 192 N ILE A 33 -4.673 4.635 -6.307 1.00 0.00 N ATOM 193 CA ILE A 33 -3.844 3.469 -6.587 1.00 0.00 C ATOM 194 C ILE A 33 -3.915 2.470 -5.429 1.00 0.00 C ATOM 195 O ILE A 33 -4.049 1.265 -5.648 1.00 0.00 O ATOM 196 CB ILE A 33 -2.389 3.920 -6.800 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.264 4.739 -8.110 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.469 2.693 -6.850 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.053 3.824 -9.323 1.00 0.00 C ATOM 0 H ILE A 33 -4.163 5.516 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.212 2.979 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.090 4.556 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.164 5.336 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.429 5.435 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.439 3.016 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.543 2.144 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.770 2.046 -7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.969 4.430 -10.225 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.139 3.246 -9.188 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.901 3.146 -9.419 1.00 0.00 H new ATOM 211 N GLY A 34 -3.827 2.970 -4.198 1.00 0.00 N ATOM 212 CA GLY A 34 -3.888 2.102 -3.025 1.00 0.00 C ATOM 213 C GLY A 34 -5.263 1.452 -2.895 1.00 0.00 C ATOM 214 O GLY A 34 -5.376 0.251 -2.645 1.00 0.00 O ATOM 0 H GLY A 34 -3.714 3.962 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.123 1.330 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.670 2.681 -2.128 1.00 0.00 H new ATOM 218 N ILE A 35 -6.308 2.256 -3.071 1.00 0.00 N ATOM 219 CA ILE A 35 -7.676 1.758 -2.974 1.00 0.00 C ATOM 220 C ILE A 35 -7.949 0.737 -4.081 1.00 0.00 C ATOM 221 O ILE A 35 -8.562 -0.307 -3.843 1.00 0.00 O ATOM 222 CB ILE A 35 -8.660 2.926 -3.082 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.515 3.820 -1.847 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.091 2.388 -3.152 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.211 5.159 -2.099 1.00 0.00 C ATOM 0 H ILE A 35 -6.234 3.251 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.807 1.268 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.446 3.501 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.952 3.330 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.460 3.983 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.790 3.221 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.196 1.745 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.308 1.814 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.107 5.794 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.754 5.651 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.269 4.987 -2.300 1.00 0.00 H new ATOM 237 N LEU A 36 -7.492 1.045 -5.291 1.00 0.00 N ATOM 238 CA LEU A 36 -7.693 0.149 -6.425 1.00 0.00 C ATOM 239 C LEU A 36 -7.024 -1.193 -6.163 1.00 0.00 C ATOM 240 O LEU A 36 -7.579 -2.247 -6.474 1.00 0.00 O ATOM 241 CB LEU A 36 -7.111 0.775 -7.700 1.00 0.00 C ATOM 242 CG LEU A 36 -7.258 -0.191 -8.888 1.00 0.00 C ATOM 243 CD1 LEU A 36 -8.733 -0.579 -9.084 1.00 0.00 C ATOM 244 CD2 LEU A 36 -6.736 0.496 -10.153 1.00 0.00 C ATOM 0 H LEU A 36 -6.984 1.902 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.763 -0.008 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.624 1.712 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.059 1.016 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.684 -1.096 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.820 -1.263 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.104 -1.067 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.322 0.317 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.836 -0.180 -11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.314 1.401 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.686 0.757 -10.018 1.00 0.00 H new ATOM 256 N HIS A 37 -5.830 -1.149 -5.585 1.00 0.00 N ATOM 257 CA HIS A 37 -5.098 -2.370 -5.286 1.00 0.00 C ATOM 258 C HIS A 37 -5.920 -3.262 -4.371 1.00 0.00 C ATOM 259 O HIS A 37 -5.959 -4.480 -4.546 1.00 0.00 O ATOM 260 CB HIS A 37 -3.771 -2.034 -4.604 1.00 0.00 C ATOM 261 CG HIS A 37 -3.016 -3.307 -4.341 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.789 -3.578 -4.917 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.315 -4.401 -3.571 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.402 -4.793 -4.488 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.295 -5.335 -3.667 1.00 0.00 N ATOM 0 H HIS A 37 -5.353 -0.289 -5.317 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.902 -2.894 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.181 -1.371 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -3.953 -1.505 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.210 -4.518 -2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.477 -5.270 -4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.242 -6.243 -3.206 1.00 0.00 H new ATOM 273 N LEU A 38 -6.578 -2.653 -3.396 1.00 0.00 N ATOM 274 CA LEU A 38 -7.396 -3.409 -2.455 1.00 0.00 C ATOM 275 C LEU A 38 -8.513 -4.149 -3.179 1.00 0.00 C ATOM 276 O LEU A 38 -8.841 -5.276 -2.824 1.00 0.00 O ATOM 277 CB LEU A 38 -7.992 -2.460 -1.396 1.00 0.00 C ATOM 278 CG LEU A 38 -7.029 -2.327 -0.199 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.294 -1.014 0.535 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.236 -3.498 0.775 1.00 0.00 C ATOM 0 H LEU A 38 -6.563 -1.646 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.761 -4.145 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.174 -1.480 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.955 -2.841 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.004 -2.340 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.611 -0.925 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.138 -0.178 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.322 -1.000 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.552 -3.396 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.263 -3.491 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.040 -4.439 0.260 1.00 0.00 H new ATOM 292 N ILE A 39 -9.106 -3.511 -4.176 1.00 0.00 N ATOM 293 CA ILE A 39 -10.195 -4.145 -4.903 1.00 0.00 C ATOM 294 C ILE A 39 -9.693 -5.413 -5.592 1.00 0.00 C ATOM 295 O ILE A 39 -10.350 -6.448 -5.561 1.00 0.00 O ATOM 296 CB ILE A 39 -10.757 -3.177 -5.947 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.381 -1.977 -5.231 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.846 -3.882 -6.767 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.743 -0.894 -6.251 1.00 0.00 C ATOM 0 H ILE A 39 -8.859 -2.574 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.984 -4.410 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.954 -2.848 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.272 -2.290 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.683 -1.578 -4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.246 -3.192 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.419 -4.749 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.648 -4.206 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.187 -0.042 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.843 -0.572 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.457 -1.295 -6.970 1.00 0.00 H new ATOM 311 N LEU A 40 -8.526 -5.332 -6.220 1.00 0.00 N ATOM 312 CA LEU A 40 -7.963 -6.497 -6.900 1.00 0.00 C ATOM 313 C LEU A 40 -7.423 -7.525 -5.899 1.00 0.00 C ATOM 314 O LEU A 40 -7.637 -8.729 -6.057 1.00 0.00 O ATOM 315 CB LEU A 40 -6.842 -6.051 -7.854 1.00 0.00 C ATOM 316 CG LEU A 40 -7.444 -5.547 -9.179 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.061 -6.718 -9.981 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.526 -4.496 -8.882 1.00 0.00 C ATOM 0 H LEU A 40 -7.957 -4.487 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.760 -6.974 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.252 -5.261 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.165 -6.883 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.650 -5.100 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.480 -6.339 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.288 -7.454 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.850 -7.187 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.953 -4.138 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.311 -4.944 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.082 -3.659 -8.343 1.00 0.00 H new ATOM 330 N TRP A 41 -6.708 -7.049 -4.882 1.00 0.00 N ATOM 331 CA TRP A 41 -6.123 -7.940 -3.877 1.00 0.00 C ATOM 332 C TRP A 41 -7.195 -8.621 -3.024 1.00 0.00 C ATOM 333 O TRP A 41 -7.119 -9.822 -2.771 1.00 0.00 O ATOM 334 CB TRP A 41 -5.163 -7.148 -2.981 1.00 0.00 C ATOM 335 CG TRP A 41 -4.715 -7.994 -1.828 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.692 -8.879 -1.852 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.239 -8.015 -0.471 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.577 -9.462 -0.605 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.503 -8.955 0.282 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.276 -7.315 0.169 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.789 -9.191 1.624 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.557 -7.547 1.521 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.817 -8.483 2.244 1.00 0.00 C ATOM 0 H TRP A 41 -6.519 -6.058 -4.730 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.577 -8.723 -4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.299 -6.822 -3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.657 -6.249 -2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.067 -9.094 -2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.891 -10.179 -0.369 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.859 -6.594 -0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.218 -9.918 2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.351 -6.999 2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.041 -8.659 3.286 1.00 0.00 H new ATOM 354 N ILE A 42 -8.176 -7.853 -2.571 1.00 0.00 N ATOM 355 CA ILE A 42 -9.233 -8.410 -1.734 1.00 0.00 C ATOM 356 C ILE A 42 -10.008 -9.481 -2.498 1.00 0.00 C ATOM 357 O ILE A 42 -10.394 -10.501 -1.930 1.00 0.00 O ATOM 358 CB ILE A 42 -10.193 -7.296 -1.287 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.102 -7.816 -0.172 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.057 -6.837 -2.468 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.924 -6.653 0.384 1.00 0.00 C ATOM 0 H ILE A 42 -8.264 -6.855 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.776 -8.865 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.606 -6.453 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.762 -8.594 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.505 -8.268 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.733 -6.048 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.415 -6.457 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.638 -7.680 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.575 -7.015 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.254 -5.891 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.530 -6.222 -0.413 1.00 0.00 H new ATOM 373 N LEU A 43 -10.239 -9.238 -3.787 1.00 0.00 N ATOM 374 CA LEU A 43 -10.982 -10.192 -4.609 1.00 0.00 C ATOM 375 C LEU A 43 -10.232 -11.525 -4.676 1.00 0.00 C ATOM 376 O LEU A 43 -10.833 -12.594 -4.554 1.00 0.00 O ATOM 377 CB LEU A 43 -11.163 -9.612 -6.024 1.00 0.00 C ATOM 378 CG LEU A 43 -12.465 -10.126 -6.666 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.503 -11.660 -6.630 1.00 0.00 C ATOM 380 CD2 LEU A 43 -13.695 -9.553 -5.914 1.00 0.00 C ATOM 0 H LEU A 43 -9.928 -8.401 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.961 -10.368 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.182 -8.523 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.312 -9.889 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.496 -9.794 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.428 -12.012 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.652 -12.058 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.456 -12.001 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.610 -9.923 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.663 -9.868 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.678 -8.464 -5.965 1.00 0.00 H new ATOM 392 N ASP A 44 -8.915 -11.457 -4.868 1.00 0.00 N ATOM 393 CA ASP A 44 -8.103 -12.667 -4.950 1.00 0.00 C ATOM 394 C ASP A 44 -8.185 -13.448 -3.645 1.00 0.00 C ATOM 395 O ASP A 44 -8.283 -14.674 -3.648 1.00 0.00 O ATOM 396 CB ASP A 44 -6.640 -12.309 -5.236 1.00 0.00 C ATOM 397 CG ASP A 44 -5.807 -13.583 -5.351 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.355 -14.648 -5.118 1.00 0.00 O ATOM 399 OD2 ASP A 44 -4.634 -13.475 -5.673 1.00 0.00 O ATOM 0 H ASP A 44 -8.394 -10.586 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.488 -13.282 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.571 -11.734 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.248 -11.678 -4.438 1.00 0.00 H new ATOM 404 N ARG A 45 -8.149 -12.728 -2.530 1.00 0.00 N ATOM 405 CA ARG A 45 -8.223 -13.361 -1.220 1.00 0.00 C ATOM 406 C ARG A 45 -9.551 -14.094 -1.048 1.00 0.00 C ATOM 407 O ARG A 45 -9.591 -15.202 -0.513 1.00 0.00 O ATOM 408 CB ARG A 45 -8.075 -12.306 -0.116 1.00 0.00 C ATOM 409 CG ARG A 45 -8.068 -12.994 1.256 1.00 0.00 C ATOM 410 CD ARG A 45 -7.890 -11.946 2.353 1.00 0.00 C ATOM 411 NE ARG A 45 -7.730 -12.596 3.648 1.00 0.00 N ATOM 412 CZ ARG A 45 -7.616 -11.887 4.764 1.00 0.00 C ATOM 413 NH1 ARG A 45 -7.647 -10.583 4.714 1.00 0.00 N ATOM 414 NH2 ARG A 45 -7.472 -12.491 5.912 1.00 0.00 N ATOM 0 H ARG A 45 -8.069 -11.711 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.410 -14.083 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.152 -11.744 -0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.895 -11.590 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.001 -13.538 1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.261 -13.725 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.018 -11.328 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.754 -11.282 2.375 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.705 -13.615 3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.759 -10.110 3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.559 -10.038 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.447 -13.510 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.385 -11.944 6.769 1.00 0.00 H new ATOM 617 N VAL B 27 6.830 12.360 0.087 1.00 0.00 N ATOM 618 CA VAL B 27 5.550 12.306 -0.614 1.00 0.00 C ATOM 619 C VAL B 27 5.728 11.715 -2.008 1.00 0.00 C ATOM 620 O VAL B 27 4.971 10.835 -2.423 1.00 0.00 O ATOM 621 CB VAL B 27 4.952 13.713 -0.718 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.699 13.684 -1.602 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.572 14.205 0.681 1.00 0.00 C ATOM 0 HA VAL B 27 4.871 11.667 -0.049 1.00 0.00 H new ATOM 0 HB VAL B 27 5.688 14.384 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.279 14.688 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.965 13.332 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.961 13.011 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.146 15.206 0.611 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.838 13.528 1.118 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.461 14.232 1.311 1.00 0.00 H new ATOM 633 N VAL B 28 6.739 12.203 -2.725 1.00 0.00 N ATOM 634 CA VAL B 28 7.013 11.720 -4.072 1.00 0.00 C ATOM 635 C VAL B 28 7.374 10.238 -4.042 1.00 0.00 C ATOM 636 O VAL B 28 6.875 9.448 -4.842 1.00 0.00 O ATOM 637 CB VAL B 28 8.163 12.518 -4.690 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.488 11.960 -6.078 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.751 13.987 -4.815 1.00 0.00 C ATOM 0 H VAL B 28 7.377 12.928 -2.396 1.00 0.00 H new ATOM 0 HA VAL B 28 6.116 11.853 -4.677 1.00 0.00 H new ATOM 0 HB VAL B 28 9.044 12.438 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.307 12.530 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.780 10.913 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.608 12.039 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.569 14.558 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.870 14.065 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.521 14.386 -3.827 1.00 0.00 H new ATOM 649 N ALA B 29 8.242 9.870 -3.106 1.00 0.00 N ATOM 650 CA ALA B 29 8.661 8.481 -2.970 1.00 0.00 C ATOM 651 C ALA B 29 7.489 7.607 -2.533 1.00 0.00 C ATOM 652 O ALA B 29 7.373 6.458 -2.950 1.00 0.00 O ATOM 653 CB ALA B 29 9.793 8.368 -1.946 1.00 0.00 C ATOM 0 H ALA B 29 8.666 10.510 -2.435 1.00 0.00 H new ATOM 0 HA ALA B 29 9.017 8.136 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.097 7.325 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.643 8.966 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.446 8.732 -0.979 1.00 0.00 H new ATOM 659 N ALA B 30 6.630 8.154 -1.683 1.00 0.00 N ATOM 660 CA ALA B 30 5.483 7.403 -1.185 1.00 0.00 C ATOM 661 C ALA B 30 4.651 6.837 -2.333 1.00 0.00 C ATOM 662 O ALA B 30 4.346 5.645 -2.354 1.00 0.00 O ATOM 663 CB ALA B 30 4.608 8.305 -0.319 1.00 0.00 C ATOM 0 H ALA B 30 6.703 9.107 -1.326 1.00 0.00 H new ATOM 0 HA ALA B 30 5.859 6.571 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA B 30 3.753 7.738 0.050 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.190 8.674 0.526 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.255 9.148 -0.913 1.00 0.00 H new ATOM 669 N ASN B 31 4.286 7.687 -3.288 1.00 0.00 N ATOM 670 CA ASN B 31 3.491 7.227 -4.424 1.00 0.00 C ATOM 671 C ASN B 31 4.289 6.242 -5.279 1.00 0.00 C ATOM 672 O ASN B 31 3.749 5.245 -5.757 1.00 0.00 O ATOM 673 CB ASN B 31 3.053 8.416 -5.285 1.00 0.00 C ATOM 674 CG ASN B 31 4.228 9.353 -5.510 1.00 0.00 C ATOM 675 OD1 ASN B 31 4.612 10.088 -4.607 1.00 0.00 O ATOM 676 ND2 ASN B 31 4.829 9.369 -6.666 1.00 0.00 N ATOM 0 H ASN B 31 4.522 8.679 -3.301 1.00 0.00 H new ATOM 0 HA ASN B 31 2.607 6.721 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN B 31 2.671 8.062 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN B 31 2.239 8.951 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN B 31 5.620 9.994 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN B 31 4.508 8.757 -7.416 1.00 0.00 H new ATOM 683 N ILE B 32 5.574 6.528 -5.466 1.00 0.00 N ATOM 684 CA ILE B 32 6.435 5.660 -6.269 1.00 0.00 C ATOM 685 C ILE B 32 6.558 4.283 -5.622 1.00 0.00 C ATOM 686 O ILE B 32 6.508 3.260 -6.304 1.00 0.00 O ATOM 687 CB ILE B 32 7.822 6.294 -6.425 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.706 7.558 -7.282 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.766 5.302 -7.115 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.024 8.334 -7.235 1.00 0.00 C ATOM 0 H ILE B 32 6.041 7.347 -5.077 1.00 0.00 H new ATOM 0 HA ILE B 32 5.986 5.541 -7.255 1.00 0.00 H new ATOM 0 HB ILE B 32 8.217 6.549 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.466 7.291 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE B 32 6.891 8.183 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.752 5.754 -7.225 1.00 0.00 H new ATOM 0 HG22 ILE B 32 8.847 4.397 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.371 5.048 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE B 32 8.939 9.233 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.245 8.614 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE B 32 9.829 7.708 -7.621 1.00 0.00 H new ATOM 702 N ILE B 33 6.730 4.266 -4.306 1.00 0.00 N ATOM 703 CA ILE B 33 6.876 3.009 -3.577 1.00 0.00 C ATOM 704 C ILE B 33 5.611 2.156 -3.724 1.00 0.00 C ATOM 705 O ILE B 33 5.694 0.951 -3.961 1.00 0.00 O ATOM 706 CB ILE B 33 7.130 3.312 -2.090 1.00 0.00 C ATOM 707 CG1 ILE B 33 8.522 3.964 -1.903 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.035 2.015 -1.274 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.625 2.905 -1.776 1.00 0.00 C ATOM 0 H ILE B 33 6.772 5.102 -3.723 1.00 0.00 H new ATOM 0 HA ILE B 33 7.719 2.453 -3.989 1.00 0.00 H new ATOM 0 HB ILE B 33 6.373 4.011 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE B 33 8.737 4.615 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE B 33 8.514 4.592 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.215 2.233 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.040 1.584 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE B 33 7.782 1.305 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.589 3.397 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.422 2.270 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.648 2.294 -2.678 1.00 0.00 H new ATOM 721 N GLY B 34 4.445 2.785 -3.590 1.00 0.00 N ATOM 722 CA GLY B 34 3.181 2.063 -3.716 1.00 0.00 C ATOM 723 C GLY B 34 2.985 1.548 -5.140 1.00 0.00 C ATOM 724 O GLY B 34 2.603 0.395 -5.351 1.00 0.00 O ATOM 0 H GLY B 34 4.349 3.782 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.165 1.226 -3.017 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.354 2.720 -3.446 1.00 0.00 H new ATOM 728 N ILE B 35 3.254 2.411 -6.115 1.00 0.00 N ATOM 729 CA ILE B 35 3.108 2.042 -7.518 1.00 0.00 C ATOM 730 C ILE B 35 4.094 0.930 -7.881 1.00 0.00 C ATOM 731 O ILE B 35 3.741 -0.026 -8.577 1.00 0.00 O ATOM 732 CB ILE B 35 3.350 3.269 -8.402 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.222 4.283 -8.180 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.363 2.846 -9.875 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.627 5.634 -8.767 1.00 0.00 C ATOM 0 H ILE B 35 3.573 3.367 -5.960 1.00 0.00 H new ATOM 0 HA ILE B 35 2.095 1.675 -7.684 1.00 0.00 H new ATOM 0 HB ILE B 35 4.308 3.719 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.304 3.931 -8.651 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.015 4.385 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.535 3.720 -10.503 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.159 2.120 -10.038 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.404 2.397 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.825 6.355 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.534 5.987 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.812 5.526 -9.836 1.00 0.00 H new ATOM 747 N LEU B 36 5.327 1.062 -7.405 1.00 0.00 N ATOM 748 CA LEU B 36 6.355 0.062 -7.685 1.00 0.00 C ATOM 749 C LEU B 36 5.941 -1.291 -7.126 1.00 0.00 C ATOM 750 O LEU B 36 6.135 -2.324 -7.769 1.00 0.00 O ATOM 751 CB LEU B 36 7.690 0.492 -7.065 1.00 0.00 C ATOM 752 CG LEU B 36 8.763 -0.587 -7.301 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.920 -0.867 -8.803 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.096 -0.092 -6.730 1.00 0.00 C ATOM 0 H LEU B 36 5.639 1.843 -6.828 1.00 0.00 H new ATOM 0 HA LEU B 36 6.473 -0.023 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.013 1.437 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.564 0.661 -5.996 1.00 0.00 H new ATOM 0 HG LEU B 36 8.461 -1.510 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.682 -1.632 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.971 -1.216 -9.209 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.219 0.048 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.864 -0.848 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.386 0.832 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU B 36 9.988 0.093 -5.661 1.00 0.00 H new ATOM 766 N HIS B 37 5.368 -1.281 -5.931 1.00 0.00 N ATOM 767 CA HIS B 37 4.932 -2.518 -5.299 1.00 0.00 C ATOM 768 C HIS B 37 3.927 -3.231 -6.189 1.00 0.00 C ATOM 769 O HIS B 37 3.963 -4.454 -6.327 1.00 0.00 O ATOM 770 CB HIS B 37 4.291 -2.221 -3.943 1.00 0.00 C ATOM 771 CG HIS B 37 3.883 -3.516 -3.299 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.422 -3.958 -2.102 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.992 -4.483 -3.683 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.856 -5.143 -1.818 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.975 -5.507 -2.747 1.00 0.00 N ATOM 0 H HIS B 37 5.195 -0.438 -5.383 1.00 0.00 H new ATOM 0 HA HIS B 37 5.802 -3.158 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS B 37 4.994 -1.688 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.423 -1.574 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.392 -4.453 -4.581 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.088 -5.730 -0.941 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.409 -6.356 -2.767 1.00 0.00 H new ATOM 783 N LEU B 38 3.028 -2.464 -6.790 1.00 0.00 N ATOM 784 CA LEU B 38 2.013 -3.038 -7.665 1.00 0.00 C ATOM 785 C LEU B 38 2.653 -3.758 -8.843 1.00 0.00 C ATOM 786 O LEU B 38 2.173 -4.808 -9.261 1.00 0.00 O ATOM 787 CB LEU B 38 1.070 -1.928 -8.174 1.00 0.00 C ATOM 788 CG LEU B 38 -0.111 -1.743 -7.201 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.691 -0.338 -7.350 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.211 -2.776 -7.509 1.00 0.00 C ATOM 0 H LEU B 38 2.980 -1.450 -6.690 1.00 0.00 H new ATOM 0 HA LEU B 38 1.438 -3.766 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.619 -0.992 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.697 -2.185 -9.165 1.00 0.00 H new ATOM 0 HG LEU B 38 0.249 -1.885 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.525 -0.214 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.079 0.399 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.042 -0.196 -8.372 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.042 -2.639 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.563 -2.639 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.807 -3.782 -7.396 1.00 0.00 H new ATOM 802 N ILE B 39 3.717 -3.189 -9.388 1.00 0.00 N ATOM 803 CA ILE B 39 4.371 -3.808 -10.529 1.00 0.00 C ATOM 804 C ILE B 39 4.909 -5.184 -10.138 1.00 0.00 C ATOM 805 O ILE B 39 4.764 -6.148 -10.880 1.00 0.00 O ATOM 806 CB ILE B 39 5.519 -2.922 -11.015 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.944 -1.599 -11.532 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.256 -3.619 -12.164 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.082 -0.611 -11.809 1.00 0.00 C ATOM 0 H ILE B 39 4.139 -2.318 -9.067 1.00 0.00 H new ATOM 0 HA ILE B 39 3.645 -3.925 -11.333 1.00 0.00 H new ATOM 0 HB ILE B 39 6.209 -2.739 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.371 -1.772 -12.443 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.256 -1.179 -10.798 1.00 0.00 H new ATOM 0 HG21 ILE B 39 7.074 -2.986 -12.509 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.656 -4.571 -11.815 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.563 -3.796 -12.986 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.667 0.328 -12.176 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.636 -0.427 -10.889 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.753 -1.030 -12.559 1.00 0.00 H new ATOM 821 N LEU B 40 5.539 -5.271 -8.972 1.00 0.00 N ATOM 822 CA LEU B 40 6.081 -6.547 -8.512 1.00 0.00 C ATOM 823 C LEU B 40 4.967 -7.499 -8.053 1.00 0.00 C ATOM 824 O LEU B 40 4.990 -8.689 -8.367 1.00 0.00 O ATOM 825 CB LEU B 40 7.075 -6.305 -7.363 1.00 0.00 C ATOM 826 CG LEU B 40 8.451 -5.903 -7.930 1.00 0.00 C ATOM 827 CD1 LEU B 40 9.119 -7.104 -8.646 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.274 -4.742 -8.922 1.00 0.00 C ATOM 0 H LEU B 40 5.686 -4.488 -8.336 1.00 0.00 H new ATOM 0 HA LEU B 40 6.597 -7.018 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.700 -5.520 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.171 -7.207 -6.759 1.00 0.00 H new ATOM 0 HG LEU B 40 9.093 -5.591 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU B 40 10.089 -6.800 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU B 40 9.255 -7.921 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.484 -7.438 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.246 -4.456 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.622 -5.056 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.829 -3.890 -8.409 1.00 0.00 H new ATOM 840 N TRP B 41 4.008 -6.970 -7.295 1.00 0.00 N ATOM 841 CA TRP B 41 2.906 -7.789 -6.779 1.00 0.00 C ATOM 842 C TRP B 41 1.987 -8.280 -7.899 1.00 0.00 C ATOM 843 O TRP B 41 1.600 -9.446 -7.922 1.00 0.00 O ATOM 844 CB TRP B 41 2.102 -6.984 -5.751 1.00 0.00 C ATOM 845 CG TRP B 41 0.858 -7.728 -5.367 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.779 -8.690 -4.418 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.491 -7.552 -5.883 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.530 -9.134 -4.343 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.348 -8.456 -5.220 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.043 -6.705 -6.857 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.707 -8.515 -5.515 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.413 -6.757 -7.149 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.239 -7.661 -6.479 1.00 0.00 C ATOM 0 H TRP B 41 3.969 -5.987 -7.025 1.00 0.00 H new ATOM 0 HA TRP B 41 3.337 -8.669 -6.302 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.711 -6.799 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.839 -6.011 -6.166 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.601 -9.051 -3.818 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.850 -9.872 -3.716 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.408 -6.009 -7.385 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.345 -9.218 -5.000 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.830 -6.096 -7.894 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.294 -7.699 -6.708 1.00 0.00 H new ATOM 864 N ILE B 42 1.627 -7.387 -8.811 1.00 0.00 N ATOM 865 CA ILE B 42 0.737 -7.756 -9.905 1.00 0.00 C ATOM 866 C ILE B 42 1.380 -8.839 -10.770 1.00 0.00 C ATOM 867 O ILE B 42 0.701 -9.753 -11.236 1.00 0.00 O ATOM 868 CB ILE B 42 0.421 -6.523 -10.766 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.741 -6.838 -11.710 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.650 -6.129 -11.596 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.162 -5.556 -12.430 1.00 0.00 C ATOM 0 H ILE B 42 1.932 -6.414 -8.817 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.190 -8.145 -9.483 1.00 0.00 H new ATOM 0 HB ILE B 42 0.149 -5.697 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.442 -7.595 -12.435 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.581 -7.247 -11.149 1.00 0.00 H new ATOM 0 HG21 ILE B 42 1.414 -5.254 -12.202 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.480 -5.896 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.930 -6.957 -12.247 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.990 -5.773 -13.105 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.476 -4.813 -11.697 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.320 -5.167 -13.002 1.00 0.00 H new ATOM 883 N LEU B 43 2.689 -8.723 -10.989 1.00 0.00 N ATOM 884 CA LEU B 43 3.400 -9.697 -11.813 1.00 0.00 C ATOM 885 C LEU B 43 3.314 -11.089 -11.177 1.00 0.00 C ATOM 886 O LEU B 43 3.075 -12.085 -11.863 1.00 0.00 O ATOM 887 CB LEU B 43 4.875 -9.269 -11.952 1.00 0.00 C ATOM 888 CG LEU B 43 5.460 -9.743 -13.296 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.251 -11.254 -13.459 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.780 -8.989 -14.470 1.00 0.00 C ATOM 0 H LEU B 43 3.271 -7.975 -10.613 1.00 0.00 H new ATOM 0 HA LEU B 43 2.941 -9.737 -12.801 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.951 -8.184 -11.880 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.458 -9.685 -11.130 1.00 0.00 H new ATOM 0 HG LEU B 43 6.529 -9.529 -13.307 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.668 -11.578 -14.412 1.00 0.00 H new ATOM 0 HD12 LEU B 43 5.751 -11.780 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.185 -11.479 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.201 -9.332 -15.415 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.708 -9.187 -14.457 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.953 -7.918 -14.363 1.00 0.00 H new ATOM 902 N ASP B 44 3.509 -11.151 -9.860 1.00 0.00 N ATOM 903 CA ASP B 44 3.451 -12.427 -9.150 1.00 0.00 C ATOM 904 C ASP B 44 2.065 -13.046 -9.291 1.00 0.00 C ATOM 905 O ASP B 44 1.932 -14.253 -9.488 1.00 0.00 O ATOM 906 CB ASP B 44 3.770 -12.226 -7.665 1.00 0.00 C ATOM 907 CG ASP B 44 3.739 -13.570 -6.941 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.388 -14.554 -7.573 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.069 -13.597 -5.766 1.00 0.00 O ATOM 0 H ASP B 44 3.706 -10.343 -9.270 1.00 0.00 H new ATOM 0 HA ASP B 44 4.191 -13.097 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.752 -11.766 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.046 -11.545 -7.217 1.00 0.00 H new ATOM 914 N ARG B 45 1.039 -12.211 -9.189 1.00 0.00 N ATOM 915 CA ARG B 45 -0.333 -12.685 -9.306 1.00 0.00 C ATOM 916 C ARG B 45 -0.581 -13.283 -10.690 1.00 0.00 C ATOM 917 O ARG B 45 -1.236 -14.316 -10.819 1.00 0.00 O ATOM 918 CB ARG B 45 -1.312 -11.529 -9.065 1.00 0.00 C ATOM 919 CG ARG B 45 -2.751 -12.057 -9.107 1.00 0.00 C ATOM 920 CD ARG B 45 -3.726 -10.910 -8.837 1.00 0.00 C ATOM 921 NE ARG B 45 -5.086 -11.423 -8.724 1.00 0.00 N ATOM 922 CZ ARG B 45 -6.116 -10.604 -8.543 1.00 0.00 C ATOM 923 NH1 ARG B 45 -5.920 -9.316 -8.466 1.00 0.00 N ATOM 924 NH2 ARG B 45 -7.325 -11.087 -8.445 1.00 0.00 N ATOM 0 H ARG B 45 1.130 -11.208 -9.026 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.492 -13.458 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.112 -11.065 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.174 -10.758 -9.823 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.958 -12.502 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.883 -12.843 -8.363 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.447 -10.394 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.671 -10.179 -9.643 1.00 0.00 H new ATOM 0 HE ARG B 45 -5.249 -12.428 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.976 -8.938 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.711 -8.687 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -7.479 -12.093 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -8.116 -10.458 -8.306 1.00 0.00 H new ATOM 1127 N VAL C 27 1.441 11.463 8.329 1.00 0.00 N ATOM 1128 CA VAL C 27 2.113 11.465 7.034 1.00 0.00 C ATOM 1129 C VAL C 27 3.432 10.702 7.113 1.00 0.00 C ATOM 1130 O VAL C 27 3.728 9.865 6.257 1.00 0.00 O ATOM 1131 CB VAL C 27 2.377 12.907 6.587 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.231 12.908 5.314 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.044 13.600 6.303 1.00 0.00 C ATOM 0 HA VAL C 27 1.467 10.972 6.308 1.00 0.00 H new ATOM 0 HB VAL C 27 2.908 13.438 7.377 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.416 13.935 5.001 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.181 12.413 5.513 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.704 12.376 4.522 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.228 14.626 5.985 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.516 13.064 5.514 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.436 13.604 7.208 1.00 0.00 H new ATOM 1143 N VAL C 28 4.214 10.993 8.150 1.00 0.00 N ATOM 1144 CA VAL C 28 5.501 10.333 8.335 1.00 0.00 C ATOM 1145 C VAL C 28 5.300 8.836 8.543 1.00 0.00 C ATOM 1146 O VAL C 28 5.995 8.016 7.944 1.00 0.00 O ATOM 1147 CB VAL C 28 6.222 10.928 9.546 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.539 10.183 9.777 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.511 12.407 9.287 1.00 0.00 C ATOM 0 H VAL C 28 3.980 11.677 8.870 1.00 0.00 H new ATOM 0 HA VAL C 28 6.106 10.489 7.442 1.00 0.00 H new ATOM 0 HB VAL C 28 5.591 10.828 10.429 1.00 0.00 H new ATOM 0 HG11 VAL C 28 8.051 10.608 10.640 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.333 9.128 9.961 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.172 10.281 8.895 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.025 12.834 10.148 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.141 12.505 8.403 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.573 12.938 9.124 1.00 0.00 H new ATOM 1159 N ALA C 29 4.341 8.488 9.392 1.00 0.00 N ATOM 1160 CA ALA C 29 4.050 7.089 9.670 1.00 0.00 C ATOM 1161 C ALA C 29 3.496 6.398 8.427 1.00 0.00 C ATOM 1162 O ALA C 29 3.773 5.227 8.183 1.00 0.00 O ATOM 1163 CB ALA C 29 3.040 6.979 10.813 1.00 0.00 C ATOM 0 H ALA C 29 3.755 9.152 9.897 1.00 0.00 H new ATOM 0 HA ALA C 29 4.978 6.597 9.961 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.829 5.928 11.013 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.452 7.443 11.709 1.00 0.00 H new ATOM 0 HB3 ALA C 29 2.117 7.487 10.533 1.00 0.00 H new ATOM 1169 N ALA C 30 2.703 7.127 7.649 1.00 0.00 N ATOM 1170 CA ALA C 30 2.105 6.561 6.446 1.00 0.00 C ATOM 1171 C ALA C 30 3.167 5.958 5.531 1.00 0.00 C ATOM 1172 O ALA C 30 3.045 4.810 5.105 1.00 0.00 O ATOM 1173 CB ALA C 30 1.339 7.643 5.690 1.00 0.00 C ATOM 0 H ALA C 30 2.461 8.102 7.827 1.00 0.00 H new ATOM 0 HA ALA C 30 1.422 5.768 6.751 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.894 7.214 4.792 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.552 8.045 6.328 1.00 0.00 H new ATOM 0 HB3 ALA C 30 2.023 8.444 5.409 1.00 0.00 H new ATOM 1179 N ASN C 31 4.210 6.726 5.231 1.00 0.00 N ATOM 1180 CA ASN C 31 5.275 6.224 4.364 1.00 0.00 C ATOM 1181 C ASN C 31 6.018 5.069 5.034 1.00 0.00 C ATOM 1182 O ASN C 31 6.372 4.087 4.383 1.00 0.00 O ATOM 1183 CB ASN C 31 6.262 7.345 4.028 1.00 0.00 C ATOM 1184 CG ASN C 31 6.610 8.123 5.288 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.805 8.913 5.766 1.00 0.00 O ATOM 1186 ND2 ASN C 31 7.770 7.942 5.858 1.00 0.00 N ATOM 0 H ASN C 31 4.342 7.680 5.567 1.00 0.00 H new ATOM 0 HA ASN C 31 4.818 5.861 3.443 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.167 6.925 3.588 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.827 8.014 3.285 1.00 0.00 H new ATOM 0 HD21 ASN C 31 8.009 8.459 6.704 1.00 0.00 H new ATOM 0 HD22 ASN C 31 8.438 7.283 5.457 1.00 0.00 H new ATOM 1193 N ILE C 32 6.256 5.196 6.337 1.00 0.00 N ATOM 1194 CA ILE C 32 6.963 4.156 7.081 1.00 0.00 C ATOM 1195 C ILE C 32 6.161 2.856 7.080 1.00 0.00 C ATOM 1196 O ILE C 32 6.717 1.772 6.909 1.00 0.00 O ATOM 1197 CB ILE C 32 7.211 4.617 8.522 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.206 5.780 8.517 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.792 3.460 9.342 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.271 6.413 9.907 1.00 0.00 C ATOM 0 H ILE C 32 5.973 6.001 6.896 1.00 0.00 H new ATOM 0 HA ILE C 32 7.921 3.973 6.595 1.00 0.00 H new ATOM 0 HB ILE C 32 6.269 4.938 8.965 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.193 5.424 8.223 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.904 6.526 7.782 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.967 3.791 10.366 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.089 2.627 9.345 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.734 3.137 8.899 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.981 7.240 9.897 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.284 6.785 10.184 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.594 5.666 10.632 1.00 0.00 H new ATOM 1212 N ILE C 33 4.855 2.975 7.283 1.00 0.00 N ATOM 1213 CA ILE C 33 3.986 1.804 7.316 1.00 0.00 C ATOM 1214 C ILE C 33 4.015 1.077 5.969 1.00 0.00 C ATOM 1215 O ILE C 33 4.109 -0.150 5.922 1.00 0.00 O ATOM 1216 CB ILE C 33 2.548 2.246 7.639 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.459 2.766 9.097 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.588 1.067 7.436 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.223 1.617 10.086 1.00 0.00 C ATOM 0 H ILE C 33 4.376 3.864 7.426 1.00 0.00 H new ATOM 0 HA ILE C 33 4.342 1.120 8.086 1.00 0.00 H new ATOM 0 HB ILE C 33 2.265 3.056 6.967 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.380 3.288 9.356 1.00 0.00 H new ATOM 0 HG13 ILE C 33 1.649 3.490 9.178 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.570 1.383 7.665 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.639 0.731 6.400 1.00 0.00 H new ATOM 0 HG23 ILE C 33 1.872 0.249 8.098 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.165 2.015 11.099 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.289 1.112 9.841 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.047 0.906 10.022 1.00 0.00 H new ATOM 1231 N GLY C 34 3.939 1.835 4.877 1.00 0.00 N ATOM 1232 CA GLY C 34 3.961 1.238 3.542 1.00 0.00 C ATOM 1233 C GLY C 34 5.314 0.588 3.256 1.00 0.00 C ATOM 1234 O GLY C 34 5.383 -0.534 2.752 1.00 0.00 O ATOM 0 H GLY C 34 3.862 2.852 4.888 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.170 0.492 3.460 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.756 2.004 2.794 1.00 0.00 H new ATOM 1238 N ILE C 35 6.386 1.300 3.588 1.00 0.00 N ATOM 1239 CA ILE C 35 7.735 0.789 3.370 1.00 0.00 C ATOM 1240 C ILE C 35 7.979 -0.455 4.225 1.00 0.00 C ATOM 1241 O ILE C 35 8.554 -1.441 3.759 1.00 0.00 O ATOM 1242 CB ILE C 35 8.761 1.875 3.711 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.640 3.019 2.697 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.173 1.287 3.645 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.384 4.251 3.215 1.00 0.00 C ATOM 0 H ILE C 35 6.348 2.229 4.007 1.00 0.00 H new ATOM 0 HA ILE C 35 7.843 0.513 2.321 1.00 0.00 H new ATOM 0 HB ILE C 35 8.572 2.251 4.717 1.00 0.00 H new ATOM 0 HG12 ILE C 35 9.053 2.711 1.736 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.590 3.260 2.530 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.901 2.061 3.888 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.260 0.469 4.360 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.364 0.912 2.640 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.295 5.061 2.491 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.951 4.564 4.165 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.437 4.007 3.359 1.00 0.00 H new ATOM 1257 N LEU C 36 7.539 -0.401 5.478 1.00 0.00 N ATOM 1258 CA LEU C 36 7.713 -1.529 6.389 1.00 0.00 C ATOM 1259 C LEU C 36 6.996 -2.759 5.851 1.00 0.00 C ATOM 1260 O LEU C 36 7.514 -3.873 5.923 1.00 0.00 O ATOM 1261 CB LEU C 36 7.163 -1.176 7.778 1.00 0.00 C ATOM 1262 CG LEU C 36 7.284 -2.379 8.727 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.745 -2.847 8.815 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.792 -1.966 10.117 1.00 0.00 C ATOM 0 H LEU C 36 7.063 0.404 5.884 1.00 0.00 H new ATOM 0 HA LEU C 36 8.778 -1.747 6.470 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.710 -0.326 8.187 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.119 -0.874 7.696 1.00 0.00 H new ATOM 0 HG LEU C 36 6.679 -3.201 8.345 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.814 -3.699 9.491 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.093 -3.140 7.825 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.365 -2.034 9.192 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.874 -2.813 10.798 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.401 -1.142 10.488 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.751 -1.649 10.055 1.00 0.00 H new ATOM 1276 N HIS C 37 5.801 -2.549 5.311 1.00 0.00 N ATOM 1277 CA HIS C 37 5.024 -3.651 4.762 1.00 0.00 C ATOM 1278 C HIS C 37 5.813 -4.353 3.669 1.00 0.00 C ATOM 1279 O HIS C 37 5.810 -5.581 3.579 1.00 0.00 O ATOM 1280 CB HIS C 37 3.711 -3.128 4.180 1.00 0.00 C ATOM 1281 CG HIS C 37 2.908 -4.285 3.654 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.665 -4.621 4.160 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.167 -5.204 2.672 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.232 -5.701 3.487 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.109 -6.095 2.567 1.00 0.00 N ATOM 0 H HIS C 37 5.354 -1.635 5.242 1.00 0.00 H new ATOM 0 HA HIS C 37 4.809 -4.358 5.564 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.146 -2.596 4.946 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.912 -2.416 3.380 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.062 -5.231 2.069 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.287 -6.190 3.671 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.022 -6.882 1.924 1.00 0.00 H new ATOM 1293 N LEU C 38 6.484 -3.569 2.839 1.00 0.00 N ATOM 1294 CA LEU C 38 7.272 -4.131 1.748 1.00 0.00 C ATOM 1295 C LEU C 38 8.366 -5.046 2.282 1.00 0.00 C ATOM 1296 O LEU C 38 8.650 -6.081 1.688 1.00 0.00 O ATOM 1297 CB LEU C 38 7.896 -2.993 0.912 1.00 0.00 C ATOM 1298 CG LEU C 38 6.933 -2.571 -0.216 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.240 -1.141 -0.657 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.093 -3.513 -1.423 1.00 0.00 C ATOM 0 H LEU C 38 6.500 -2.551 2.897 1.00 0.00 H new ATOM 0 HA LEU C 38 6.611 -4.723 1.115 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.114 -2.139 1.553 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.844 -3.322 0.487 1.00 0.00 H new ATOM 0 HG LEU C 38 5.911 -2.627 0.159 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.555 -0.851 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.119 -0.465 0.190 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.266 -1.085 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.409 -3.208 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.118 -3.464 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.865 -4.535 -1.120 1.00 0.00 H new ATOM 1312 N ILE C 39 8.985 -4.659 3.386 1.00 0.00 N ATOM 1313 CA ILE C 39 10.056 -5.471 3.946 1.00 0.00 C ATOM 1314 C ILE C 39 9.512 -6.842 4.350 1.00 0.00 C ATOM 1315 O ILE C 39 10.132 -7.866 4.088 1.00 0.00 O ATOM 1316 CB ILE C 39 10.656 -4.772 5.169 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.317 -3.466 4.720 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.723 -5.671 5.801 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.724 -2.643 5.945 1.00 0.00 C ATOM 0 H ILE C 39 8.771 -3.806 3.904 1.00 0.00 H new ATOM 0 HA ILE C 39 10.833 -5.602 3.193 1.00 0.00 H new ATOM 0 HB ILE C 39 9.869 -4.568 5.895 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.193 -3.683 4.109 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.628 -2.894 4.099 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.150 -5.173 6.671 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.269 -6.613 6.108 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.510 -5.868 5.073 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.194 -1.715 5.620 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.840 -2.413 6.539 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.429 -3.214 6.549 1.00 0.00 H new ATOM 1331 N LEU C 40 8.351 -6.860 4.997 1.00 0.00 N ATOM 1332 CA LEU C 40 7.753 -8.125 5.417 1.00 0.00 C ATOM 1333 C LEU C 40 7.170 -8.895 4.224 1.00 0.00 C ATOM 1334 O LEU C 40 7.344 -10.110 4.116 1.00 0.00 O ATOM 1335 CB LEU C 40 6.653 -7.860 6.459 1.00 0.00 C ATOM 1336 CG LEU C 40 7.281 -7.674 7.855 1.00 0.00 C ATOM 1337 CD1 LEU C 40 7.862 -9.012 8.376 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.398 -6.620 7.775 1.00 0.00 C ATOM 0 H LEU C 40 7.812 -6.029 5.239 1.00 0.00 H new ATOM 0 HA LEU C 40 8.537 -8.739 5.860 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.088 -6.970 6.184 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.949 -8.692 6.476 1.00 0.00 H new ATOM 0 HG LEU C 40 6.508 -7.341 8.547 1.00 0.00 H new ATOM 0 HD11 LEU C 40 8.300 -8.859 9.362 1.00 0.00 H new ATOM 0 HD12 LEU C 40 7.065 -9.753 8.444 1.00 0.00 H new ATOM 0 HD13 LEU C 40 8.630 -9.367 7.689 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.844 -6.487 8.761 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.163 -6.953 7.073 1.00 0.00 H new ATOM 0 HD23 LEU C 40 7.980 -5.673 7.434 1.00 0.00 H new ATOM 1350 N TRP C 41 6.467 -8.186 3.343 1.00 0.00 N ATOM 1351 CA TRP C 41 5.844 -8.819 2.177 1.00 0.00 C ATOM 1352 C TRP C 41 6.888 -9.335 1.183 1.00 0.00 C ATOM 1353 O TRP C 41 6.767 -10.450 0.677 1.00 0.00 O ATOM 1354 CB TRP C 41 4.910 -7.820 1.485 1.00 0.00 C ATOM 1355 CG TRP C 41 4.427 -8.380 0.184 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.369 -9.214 0.032 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.940 -8.125 -1.150 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.229 -9.510 -1.312 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.169 -8.855 -2.079 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.999 -7.337 -1.638 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.440 -8.807 -3.443 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.266 -7.282 -3.012 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.490 -8.017 -3.911 1.00 0.00 C ATOM 0 H TRP C 41 6.314 -7.180 3.411 1.00 0.00 H new ATOM 0 HA TRP C 41 5.272 -9.678 2.528 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.061 -7.597 2.131 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.434 -6.880 1.312 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.740 -9.585 0.828 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.518 -10.136 -1.689 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.609 -6.772 -0.949 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.840 -9.379 -4.136 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.076 -6.668 -3.378 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.703 -7.974 -4.969 1.00 0.00 H new ATOM 1374 N ILE C 42 7.893 -8.521 0.894 1.00 0.00 N ATOM 1375 CA ILE C 42 8.926 -8.919 -0.056 1.00 0.00 C ATOM 1376 C ILE C 42 9.666 -10.154 0.449 1.00 0.00 C ATOM 1377 O ILE C 42 10.013 -11.040 -0.331 1.00 0.00 O ATOM 1378 CB ILE C 42 9.922 -7.767 -0.265 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.806 -8.063 -1.478 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.809 -7.602 0.975 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.665 -6.836 -1.783 1.00 0.00 C ATOM 0 H ILE C 42 8.016 -7.592 1.297 1.00 0.00 H new ATOM 0 HA ILE C 42 8.449 -9.158 -1.006 1.00 0.00 H new ATOM 0 HB ILE C 42 9.362 -6.847 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.441 -8.926 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.189 -8.314 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.510 -6.783 0.814 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.186 -7.381 1.842 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.363 -8.524 1.152 1.00 0.00 H new ATOM 0 HD11 ILE C 42 12.298 -7.040 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE C 42 11.020 -5.985 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.291 -6.607 -0.921 1.00 0.00 H new ATOM 1393 N LEU C 43 9.914 -10.204 1.756 1.00 0.00 N ATOM 1394 CA LEU C 43 10.629 -11.335 2.343 1.00 0.00 C ATOM 1395 C LEU C 43 9.833 -12.627 2.130 1.00 0.00 C ATOM 1396 O LEU C 43 10.395 -13.664 1.773 1.00 0.00 O ATOM 1397 CB LEU C 43 10.837 -11.082 3.848 1.00 0.00 C ATOM 1398 CG LEU C 43 12.124 -11.765 4.348 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.106 -13.256 3.981 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.367 -11.085 3.721 1.00 0.00 C ATOM 0 H LEU C 43 9.634 -9.484 2.422 1.00 0.00 H new ATOM 0 HA LEU C 43 11.600 -11.441 1.858 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.893 -10.010 4.036 1.00 0.00 H new ATOM 0 HB3 LEU C 43 9.980 -11.459 4.406 1.00 0.00 H new ATOM 0 HG LEU C 43 12.174 -11.666 5.432 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.020 -13.730 4.339 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.244 -13.735 4.445 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.042 -13.363 2.898 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.271 -11.576 4.082 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.318 -11.167 2.635 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.388 -10.033 4.005 1.00 0.00 H new ATOM 1412 N ASP C 44 8.519 -12.558 2.351 1.00 0.00 N ATOM 1413 CA ASP C 44 7.665 -13.729 2.181 1.00 0.00 C ATOM 1414 C ASP C 44 7.714 -14.211 0.737 1.00 0.00 C ATOM 1415 O ASP C 44 7.767 -15.413 0.473 1.00 0.00 O ATOM 1416 CB ASP C 44 6.218 -13.393 2.555 1.00 0.00 C ATOM 1417 CG ASP C 44 5.340 -14.632 2.402 1.00 0.00 C ATOM 1418 OD1 ASP C 44 5.848 -15.639 1.934 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.174 -14.559 2.756 1.00 0.00 O ATOM 0 H ASP C 44 8.030 -11.713 2.645 1.00 0.00 H new ATOM 0 HA ASP C 44 8.031 -14.518 2.838 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.174 -13.030 3.582 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.845 -12.592 1.917 1.00 0.00 H new ATOM 1424 N ARG C 45 7.696 -13.266 -0.195 1.00 0.00 N ATOM 1425 CA ARG C 45 7.741 -13.603 -1.613 1.00 0.00 C ATOM 1426 C ARG C 45 9.042 -14.327 -1.956 1.00 0.00 C ATOM 1427 O ARG C 45 9.039 -15.294 -2.717 1.00 0.00 O ATOM 1428 CB ARG C 45 7.623 -12.333 -2.462 1.00 0.00 C ATOM 1429 CG ARG C 45 7.586 -12.707 -3.948 1.00 0.00 C ATOM 1430 CD ARG C 45 7.438 -11.440 -4.792 1.00 0.00 C ATOM 1431 NE ARG C 45 7.247 -11.792 -6.194 1.00 0.00 N ATOM 1432 CZ ARG C 45 7.152 -10.855 -7.131 1.00 0.00 C ATOM 1433 NH1 ARG C 45 7.231 -9.596 -6.801 1.00 0.00 N ATOM 1434 NH2 ARG C 45 6.982 -11.193 -8.380 1.00 0.00 N ATOM 0 H ARG C 45 7.651 -12.266 0.003 1.00 0.00 H new ATOM 0 HA ARG C 45 6.902 -14.264 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.720 -11.786 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.467 -11.672 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.499 -13.235 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.755 -13.385 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.590 -10.854 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG C 45 8.325 -10.815 -4.683 1.00 0.00 H new ATOM 0 HE ARG C 45 7.185 -12.775 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG C 45 7.366 -9.332 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG C 45 7.158 -8.875 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG C 45 6.922 -12.178 -8.638 1.00 0.00 H new ATOM 0 HH22 ARG C 45 6.909 -10.472 -9.098 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.323 12.334 2.405 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.052 12.092 3.080 1.00 0.00 C ATOM 1639 C VAL D 27 -5.262 11.240 4.328 1.00 0.00 C ATOM 1640 O VAL D 27 -4.542 10.265 4.555 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.404 13.425 3.465 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.156 13.172 4.318 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.005 14.178 2.195 1.00 0.00 C ATOM 0 HA VAL D 27 -4.394 11.555 2.397 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.116 14.018 4.039 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.701 14.125 4.588 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.437 12.635 5.224 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.442 12.576 3.750 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.543 15.128 2.465 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.295 13.579 1.624 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.892 14.365 1.589 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.253 11.614 5.130 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.553 10.884 6.356 1.00 0.00 C ATOM 1655 C VAL D 28 -6.972 9.455 6.030 1.00 0.00 C ATOM 1656 O VAL D 28 -6.510 8.500 6.656 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.675 11.587 7.123 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.031 10.777 8.370 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.209 12.984 7.538 1.00 0.00 C ATOM 0 H VAL D 28 -6.860 12.415 4.954 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.656 10.859 6.975 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.554 11.670 6.484 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.830 11.280 8.915 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.363 9.782 8.075 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.154 10.691 9.011 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.007 13.486 8.085 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.329 12.899 8.176 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.958 13.563 6.649 1.00 0.00 H new ATOM 1669 N ALA D 29 -7.850 9.316 5.043 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.322 8.001 4.635 1.00 0.00 C ATOM 1671 C ALA D 29 -7.185 7.185 4.027 1.00 0.00 C ATOM 1672 O ALA D 29 -7.117 5.972 4.206 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.456 8.141 3.617 1.00 0.00 C ATOM 0 H ALA D 29 -8.246 10.093 4.514 1.00 0.00 H new ATOM 0 HA ALA D 29 -8.693 7.482 5.519 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -9.801 7.151 3.319 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.282 8.693 4.066 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.094 8.678 2.740 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.299 7.857 3.301 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.181 7.173 2.660 1.00 0.00 C ATOM 1681 C ALA D 30 -4.377 6.356 3.669 1.00 0.00 C ATOM 1682 O ALA D 30 -4.121 5.173 3.450 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.266 8.195 1.989 1.00 0.00 C ATOM 0 H ALA D 30 -6.331 8.864 3.142 1.00 0.00 H new ATOM 0 HA ALA D 30 -5.587 6.491 1.913 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.433 7.679 1.512 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -4.828 8.749 1.237 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -3.883 8.888 2.738 1.00 0.00 H new ATOM 1689 N ASN D 31 -3.987 6.983 4.775 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.216 6.274 5.794 1.00 0.00 C ATOM 1691 C ASN D 31 -4.056 5.169 6.436 1.00 0.00 C ATOM 1692 O ASN D 31 -3.559 4.078 6.705 1.00 0.00 O ATOM 1693 CB ASN D 31 -2.738 7.248 6.873 1.00 0.00 C ATOM 1694 CG ASN D 31 -3.877 8.168 7.283 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -4.224 9.083 6.546 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -4.481 7.979 8.423 1.00 0.00 N ATOM 0 H ASN D 31 -4.186 7.961 4.987 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.350 5.822 5.310 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -2.376 6.695 7.740 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -1.901 7.837 6.498 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -5.245 8.594 8.704 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -4.190 7.216 9.034 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.332 5.465 6.681 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.228 4.490 7.295 1.00 0.00 C ATOM 1705 C ILE D 32 -6.405 3.275 6.385 1.00 0.00 C ATOM 1706 O ILE D 32 -6.400 2.134 6.849 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.591 5.132 7.578 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.430 6.195 8.669 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.579 4.062 8.058 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -8.716 7.018 8.783 1.00 0.00 C ATOM 0 H ILE D 32 -5.764 6.364 6.466 1.00 0.00 H new ATOM 0 HA ILE D 32 -5.786 4.160 8.235 1.00 0.00 H new ATOM 0 HB ILE D 32 -7.971 5.591 6.665 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.206 5.719 9.624 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.589 6.847 8.433 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.546 4.523 8.258 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.693 3.300 7.287 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.201 3.601 8.971 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.597 7.773 9.560 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -8.921 7.507 7.831 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.547 6.361 9.040 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.567 3.530 5.094 1.00 0.00 N ATOM 1723 CA ILE D 33 -6.759 2.453 4.129 1.00 0.00 C ATOM 1724 C ILE D 33 -5.531 1.536 4.100 1.00 0.00 C ATOM 1725 O ILE D 33 -5.664 0.313 4.090 1.00 0.00 O ATOM 1726 CB ILE D 33 -6.992 3.056 2.733 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.356 3.787 2.684 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -6.949 1.946 1.675 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.500 2.819 2.349 1.00 0.00 C ATOM 0 H ILE D 33 -6.570 4.467 4.691 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.627 1.862 4.423 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.204 3.779 2.524 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -8.550 4.263 3.645 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.319 4.580 1.937 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.115 2.378 0.688 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -5.975 1.458 1.699 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -7.727 1.212 1.885 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.443 3.365 2.323 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -9.318 2.363 1.376 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.553 2.041 3.110 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.338 2.131 4.090 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.106 1.345 4.066 1.00 0.00 C ATOM 1743 C GLY D 34 -2.940 0.551 5.361 1.00 0.00 C ATOM 1744 O GLY D 34 -2.604 -0.634 5.336 1.00 0.00 O ATOM 0 H GLY D 34 -4.200 3.142 4.098 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.122 0.663 3.216 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.251 2.006 3.928 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.180 1.212 6.488 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.057 0.563 7.791 1.00 0.00 C ATOM 1750 C ILE D 35 -4.089 -0.558 7.926 1.00 0.00 C ATOM 1751 O ILE D 35 -3.779 -1.646 8.417 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.256 1.598 8.902 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.087 2.589 8.882 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.294 0.892 10.260 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.440 3.814 9.727 1.00 0.00 C ATOM 0 H ILE D 35 -3.460 2.192 6.528 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.061 0.129 7.879 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.195 2.128 8.741 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.187 2.113 9.271 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -1.870 2.891 7.857 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.436 1.630 11.050 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.119 0.180 10.277 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.355 0.363 10.422 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.608 4.518 9.712 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.329 4.294 9.318 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.635 3.504 10.754 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.313 -0.285 7.488 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.380 -1.277 7.566 1.00 0.00 C ATOM 1769 C LEU D 36 -6.016 -2.508 6.749 1.00 0.00 C ATOM 1770 O LEU D 36 -6.253 -3.638 7.173 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.695 -0.681 7.044 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.810 -1.740 7.061 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.986 -2.310 8.479 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.118 -1.089 6.605 1.00 0.00 C ATOM 0 H LEU D 36 -5.590 0.607 7.078 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.508 -1.567 8.609 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.985 0.171 7.659 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.555 -0.308 6.029 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.542 -2.555 6.389 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.779 -3.058 8.475 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.053 -2.771 8.804 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.251 -1.505 9.164 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.916 -1.831 6.613 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.374 -0.274 7.282 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -9.997 -0.698 5.595 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.437 -2.283 5.578 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.045 -3.386 4.713 1.00 0.00 C ATOM 1788 C HIS D 37 -4.073 -4.300 5.440 1.00 0.00 C ATOM 1789 O HIS D 37 -4.160 -5.523 5.332 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.384 -2.849 3.444 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.025 -4.002 2.552 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.575 -4.169 1.293 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.176 -5.063 2.730 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.055 -5.292 0.772 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.195 -5.875 1.605 1.00 0.00 N ATOM 0 H HIS D 37 -5.230 -1.355 5.208 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.938 -3.950 4.443 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.061 -2.169 2.926 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.491 -2.278 3.698 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.581 -5.241 3.614 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.304 -5.677 -0.206 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.665 -6.733 1.450 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.151 -3.705 6.181 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.164 -4.482 6.919 1.00 0.00 C ATOM 1805 C LEU D 38 -2.839 -5.398 7.929 1.00 0.00 C ATOM 1806 O LEU D 38 -2.405 -6.528 8.127 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.185 -3.534 7.640 1.00 0.00 C ATOM 1808 CG LEU D 38 0.016 -3.212 6.726 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.648 -1.889 7.147 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.066 -4.331 6.835 1.00 0.00 C ATOM 0 H LEU D 38 -3.064 -2.694 6.288 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.613 -5.101 6.211 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.697 -2.613 7.917 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.835 -3.995 8.564 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.333 -3.137 5.696 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.495 -1.668 6.498 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.090 -1.091 7.065 1.00 0.00 H new ATOM 0 HD13 LEU D 38 0.991 -1.962 8.179 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.912 -4.100 6.188 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.409 -4.409 7.867 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.622 -5.278 6.527 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.883 -4.908 8.579 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.569 -5.716 9.575 1.00 0.00 C ATOM 1824 C ILE D 39 -5.158 -6.963 8.916 1.00 0.00 C ATOM 1825 O ILE D 39 -5.055 -8.062 9.449 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.683 -4.899 10.230 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.060 -3.732 10.999 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.456 -5.783 11.216 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.159 -2.774 11.470 1.00 0.00 C ATOM 0 H ILE D 39 -4.268 -3.974 8.439 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.855 -6.021 10.340 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.360 -4.526 9.461 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.500 -4.107 11.856 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.351 -3.202 10.362 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.250 -5.200 11.682 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.892 -6.628 10.683 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.776 -6.151 11.985 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.709 -1.945 12.017 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.700 -2.388 10.606 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.851 -3.307 12.123 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.782 -6.791 7.758 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.372 -7.926 7.053 1.00 0.00 C ATOM 1843 C LEU D 40 -5.294 -8.810 6.409 1.00 0.00 C ATOM 1844 O LEU D 40 -5.366 -10.038 6.480 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.348 -7.421 5.976 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.710 -7.086 6.615 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.429 -8.377 7.077 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.496 -6.153 7.816 1.00 0.00 C ATOM 0 H LEU D 40 -5.893 -5.891 7.291 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.911 -8.532 7.781 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.938 -6.536 5.488 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.476 -8.180 5.204 1.00 0.00 H new ATOM 0 HG LEU D 40 -9.334 -6.590 5.871 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.388 -8.119 7.525 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -9.593 -9.029 6.219 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.812 -8.894 7.812 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.459 -5.916 8.268 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -7.861 -6.647 8.552 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.016 -5.233 7.481 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.308 -8.181 5.770 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.237 -8.923 5.101 1.00 0.00 C ATOM 1862 C TRP D 41 -2.344 -9.662 6.098 1.00 0.00 C ATOM 1863 O TRP D 41 -2.003 -10.825 5.886 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.394 -7.961 4.255 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.177 -8.660 3.727 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.130 -9.411 2.601 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.173 -8.649 4.266 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.161 -9.882 2.435 1.00 0.00 N ATOM 1869 CE2 TRP D 41 0.999 -9.430 3.431 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.753 -8.039 5.393 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.353 -9.603 3.705 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.117 -8.207 5.663 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.914 -8.986 4.822 1.00 0.00 C ATOM 0 H TRP D 41 -4.227 -7.167 5.701 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.701 -9.672 4.459 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.989 -7.578 3.426 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.096 -7.103 4.857 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.962 -9.610 1.942 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.456 -10.489 1.670 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.144 -7.439 6.053 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.965 -10.212 3.056 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.555 -7.731 6.528 1.00 0.00 H new ATOM 0 HH2 TRP D 41 3.965 -9.111 5.037 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.956 -8.986 7.170 1.00 0.00 N ATOM 1885 CA ILE D 42 -1.089 -9.602 8.166 1.00 0.00 C ATOM 1886 C ILE D 42 -1.778 -10.808 8.800 1.00 0.00 C ATOM 1887 O ILE D 42 -1.139 -11.823 9.073 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.730 -8.578 9.256 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.413 -9.122 10.117 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.947 -8.309 10.152 1.00 0.00 C ATOM 1891 CD1 ILE D 42 0.878 -8.027 11.079 1.00 0.00 C ATOM 0 H ILE D 42 -2.223 -8.023 7.372 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.177 -9.937 7.672 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.423 -7.649 8.776 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.080 -9.997 10.675 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.240 -9.443 9.485 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.680 -7.583 10.920 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.764 -7.915 9.547 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -2.262 -9.238 10.626 1.00 0.00 H new ATOM 0 HD11 ILE D 42 1.692 -8.407 11.696 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.226 -7.166 10.509 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.047 -7.728 11.718 1.00 0.00 H new ATOM 1903 N LEU D 43 -3.082 -10.686 9.039 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.836 -11.776 9.653 1.00 0.00 C ATOM 1905 C LEU D 43 -3.802 -13.015 8.753 1.00 0.00 C ATOM 1906 O LEU D 43 -3.607 -14.136 9.227 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.293 -11.324 9.879 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.905 -12.033 11.103 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.759 -13.555 10.961 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -5.204 -11.556 12.401 1.00 0.00 C ATOM 0 H LEU D 43 -3.632 -9.855 8.820 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.384 -12.032 10.611 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.324 -10.244 10.026 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.888 -11.543 8.992 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.964 -11.782 11.158 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.195 -14.045 11.832 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.276 -13.888 10.061 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -4.703 -13.814 10.890 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -5.644 -12.063 13.260 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -4.141 -11.790 12.347 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -5.334 -10.479 12.510 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.991 -12.805 7.450 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.978 -13.915 6.500 1.00 0.00 C ATOM 1924 C ASP D 44 -2.620 -14.606 6.511 1.00 0.00 C ATOM 1925 O ASP D 44 -2.534 -15.832 6.466 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.279 -13.410 5.086 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.296 -14.581 4.108 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -3.988 -15.684 4.531 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.619 -14.361 2.952 1.00 0.00 O ATOM 0 H ASP D 44 -4.153 -11.888 7.033 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.747 -14.628 6.798 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.241 -12.898 5.071 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.526 -12.683 4.782 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.562 -13.807 6.576 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.209 -14.349 6.595 1.00 0.00 C ATOM 1936 C ARG D 45 0.006 -15.220 7.831 1.00 0.00 C ATOM 1937 O ARG D 45 0.620 -16.284 7.750 1.00 0.00 O ATOM 1938 CB ARG D 45 0.815 -13.210 6.588 1.00 0.00 C ATOM 1939 CG ARG D 45 2.234 -13.791 6.521 1.00 0.00 C ATOM 1940 CD ARG D 45 3.252 -12.653 6.484 1.00 0.00 C ATOM 1941 NE ARG D 45 4.593 -13.187 6.268 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.655 -12.389 6.253 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.511 -11.107 6.438 1.00 0.00 N ATOM 1944 NH2 ARG D 45 6.845 -12.891 6.056 1.00 0.00 N ATOM 0 H ARG D 45 -1.613 -12.789 6.616 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.075 -14.963 5.704 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.639 -12.555 5.735 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.703 -12.601 7.485 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.418 -14.429 7.385 1.00 0.00 H new ATOM 0 HG3 ARG D 45 2.340 -14.417 5.635 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.998 -11.953 5.688 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.220 -12.096 7.420 1.00 0.00 H new ATOM 0 HE ARG D 45 4.717 -14.189 6.126 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.582 -10.715 6.595 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.327 -10.495 6.426 1.00 0.00 H new ATOM 0 HH21 ARG D 45 6.958 -13.895 5.914 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.661 -12.279 6.044 1.00 0.00 H new