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= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 37 HIS : no HD1:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -0.483 K(o=-0.48,f=-3.2!) USER MOD Single : B 37 HIS : no HD1:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -0.873 K(o=-0.87,f=-4.1!) USER MOD Single : C 37 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.8!) USER MOD Single : D 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -1.153 13.227 -5.182 1.00 0.00 N ATOM 108 CA VAL A 27 -1.676 12.751 -3.908 1.00 0.00 C ATOM 109 C VAL A 27 -3.010 12.034 -4.111 1.00 0.00 C ATOM 110 O VAL A 27 -3.239 10.948 -3.570 1.00 0.00 O ATOM 111 CB VAL A 27 -1.863 13.931 -2.952 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.559 13.456 -1.674 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.495 14.520 -2.598 1.00 0.00 C ATOM 0 HA VAL A 27 -0.963 12.047 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.476 14.692 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.690 14.299 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.534 13.037 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.950 12.693 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.626 15.361 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.117 13.756 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.000 14.863 -3.507 1.00 0.00 H new ATOM 123 N VAL A 28 -3.889 12.653 -4.891 1.00 0.00 N ATOM 124 CA VAL A 28 -5.199 12.069 -5.150 1.00 0.00 C ATOM 125 C VAL A 28 -5.051 10.721 -5.843 1.00 0.00 C ATOM 126 O VAL A 28 -5.687 9.742 -5.458 1.00 0.00 O ATOM 127 CB VAL A 28 -6.026 13.013 -6.029 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.354 12.347 -6.392 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.300 14.312 -5.269 1.00 0.00 C ATOM 0 H VAL A 28 -3.721 13.548 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.709 11.922 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.471 13.234 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.940 13.021 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.161 11.423 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.909 12.122 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.888 14.983 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.853 14.090 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.355 14.790 -5.013 1.00 0.00 H new ATOM 139 N ALA A 29 -4.204 10.676 -6.865 1.00 0.00 N ATOM 140 CA ALA A 29 -3.986 9.439 -7.601 1.00 0.00 C ATOM 141 C ALA A 29 -3.483 8.346 -6.668 1.00 0.00 C ATOM 142 O ALA A 29 -3.918 7.202 -6.758 1.00 0.00 O ATOM 143 CB ALA A 29 -2.958 9.667 -8.719 1.00 0.00 C ATOM 0 H ALA A 29 -3.663 11.473 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.935 9.126 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.801 8.736 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.328 10.431 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.014 9.996 -8.284 1.00 0.00 H new ATOM 149 N ALA A 30 -2.571 8.705 -5.772 1.00 0.00 N ATOM 150 CA ALA A 30 -2.018 7.734 -4.838 1.00 0.00 C ATOM 151 C ALA A 30 -3.136 7.010 -4.097 1.00 0.00 C ATOM 152 O ALA A 30 -3.069 5.800 -3.888 1.00 0.00 O ATOM 153 CB ALA A 30 -1.113 8.443 -3.831 1.00 0.00 C ATOM 0 H ALA A 30 -2.203 9.651 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.437 7.003 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.702 7.713 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.299 8.939 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.692 9.184 -3.280 1.00 0.00 H new ATOM 159 N ASN A 31 -4.163 7.754 -3.710 1.00 0.00 N ATOM 160 CA ASN A 31 -5.291 7.159 -3.003 1.00 0.00 C ATOM 161 C ASN A 31 -5.999 6.142 -3.891 1.00 0.00 C ATOM 162 O ASN A 31 -6.419 5.082 -3.426 1.00 0.00 O ATOM 163 CB ASN A 31 -6.278 8.248 -2.581 1.00 0.00 C ATOM 164 CG ASN A 31 -5.670 9.093 -1.465 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.712 8.670 -0.819 1.00 0.00 O ATOM 166 ND2 ASN A 31 -6.172 10.266 -1.202 1.00 0.00 N ATOM 0 H ASN A 31 -4.240 8.758 -3.870 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.914 6.651 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.524 8.879 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.209 7.795 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.771 10.837 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.966 10.613 -1.740 1.00 0.00 H new ATOM 173 N ILE A 32 -6.133 6.474 -5.173 1.00 0.00 N ATOM 174 CA ILE A 32 -6.802 5.581 -6.118 1.00 0.00 C ATOM 175 C ILE A 32 -6.010 4.290 -6.287 1.00 0.00 C ATOM 176 O ILE A 32 -6.584 3.202 -6.312 1.00 0.00 O ATOM 177 CB ILE A 32 -6.947 6.270 -7.478 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.608 7.641 -7.289 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.810 5.411 -8.407 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.929 7.510 -6.522 1.00 0.00 C ATOM 0 H ILE A 32 -5.791 7.345 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.790 5.342 -5.723 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.960 6.398 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.933 8.303 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.791 8.098 -8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.909 5.907 -9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.338 4.438 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.797 5.276 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.379 8.496 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.610 6.866 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.739 7.075 -5.541 1.00 0.00 H new ATOM 192 N ILE A 33 -4.694 4.411 -6.403 1.00 0.00 N ATOM 193 CA ILE A 33 -3.845 3.241 -6.574 1.00 0.00 C ATOM 194 C ILE A 33 -3.938 2.317 -5.362 1.00 0.00 C ATOM 195 O ILE A 33 -4.075 1.104 -5.506 1.00 0.00 O ATOM 196 CB ILE A 33 -2.394 3.674 -6.777 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.292 4.601 -7.997 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.506 2.454 -6.983 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.810 3.908 -9.267 1.00 0.00 C ATOM 0 H ILE A 33 -4.195 5.300 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.190 2.697 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.059 4.210 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.866 5.510 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.255 4.903 -8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.474 2.775 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.566 1.808 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.841 1.905 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.725 4.589 -10.114 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.218 3.013 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.855 3.629 -9.129 1.00 0.00 H new ATOM 211 N GLY A 34 -3.864 2.895 -4.172 1.00 0.00 N ATOM 212 CA GLY A 34 -3.939 2.101 -2.953 1.00 0.00 C ATOM 213 C GLY A 34 -5.300 1.421 -2.821 1.00 0.00 C ATOM 214 O GLY A 34 -5.386 0.209 -2.610 1.00 0.00 O ATOM 0 H GLY A 34 -3.753 3.898 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.152 1.347 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.763 2.740 -2.088 1.00 0.00 H new ATOM 218 N ILE A 35 -6.362 2.207 -2.953 1.00 0.00 N ATOM 219 CA ILE A 35 -7.716 1.677 -2.849 1.00 0.00 C ATOM 220 C ILE A 35 -7.988 0.686 -3.980 1.00 0.00 C ATOM 221 O ILE A 35 -8.589 -0.368 -3.773 1.00 0.00 O ATOM 222 CB ILE A 35 -8.734 2.824 -2.901 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.590 3.682 -1.637 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.153 2.246 -2.961 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.332 5.007 -1.828 1.00 0.00 C ATOM 0 H ILE A 35 -6.312 3.210 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.814 1.156 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.552 3.435 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.993 3.149 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.536 3.870 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.876 3.061 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.257 1.628 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.336 1.638 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.228 5.615 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.909 5.542 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.388 4.809 -2.013 1.00 0.00 H new ATOM 237 N LEU A 36 -7.549 1.038 -5.179 1.00 0.00 N ATOM 238 CA LEU A 36 -7.760 0.175 -6.332 1.00 0.00 C ATOM 239 C LEU A 36 -7.101 -1.183 -6.109 1.00 0.00 C ATOM 240 O LEU A 36 -7.668 -2.226 -6.443 1.00 0.00 O ATOM 241 CB LEU A 36 -7.184 0.834 -7.593 1.00 0.00 C ATOM 242 CG LEU A 36 -7.347 -0.102 -8.801 1.00 0.00 C ATOM 243 CD1 LEU A 36 -8.831 -0.460 -8.997 1.00 0.00 C ATOM 244 CD2 LEU A 36 -6.809 0.593 -10.056 1.00 0.00 C ATOM 0 H LEU A 36 -7.050 1.905 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.832 0.026 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.693 1.779 -7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.130 1.065 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.786 -1.020 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.935 -1.123 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.206 -0.961 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.405 0.450 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.923 -0.068 -10.915 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.367 1.513 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.754 0.829 -9.917 1.00 0.00 H new ATOM 256 N HIS A 37 -5.900 -1.160 -5.545 1.00 0.00 N ATOM 257 CA HIS A 37 -5.167 -2.392 -5.282 1.00 0.00 C ATOM 258 C HIS A 37 -5.977 -3.306 -4.381 1.00 0.00 C ATOM 259 O HIS A 37 -5.999 -4.524 -4.575 1.00 0.00 O ATOM 260 CB HIS A 37 -3.828 -2.072 -4.622 1.00 0.00 C ATOM 261 CG HIS A 37 -3.086 -3.356 -4.363 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.866 -3.644 -4.951 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.384 -4.441 -3.580 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.483 -4.857 -4.514 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.371 -5.382 -3.674 1.00 0.00 N ATOM 0 H HIS A 37 -5.415 -0.308 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.988 -2.899 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.238 -1.420 -5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -3.989 -1.536 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.275 -4.547 -2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.566 -5.345 -4.809 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.318 -6.284 -3.201 1.00 0.00 H new ATOM 273 N LEU A 38 -6.640 -2.723 -3.395 1.00 0.00 N ATOM 274 CA LEU A 38 -7.443 -3.509 -2.467 1.00 0.00 C ATOM 275 C LEU A 38 -8.541 -4.254 -3.210 1.00 0.00 C ATOM 276 O LEU A 38 -8.836 -5.399 -2.898 1.00 0.00 O ATOM 277 CB LEU A 38 -8.067 -2.585 -1.406 1.00 0.00 C ATOM 278 CG LEU A 38 -7.110 -2.425 -0.209 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.413 -1.124 0.522 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.281 -3.600 0.766 1.00 0.00 C ATOM 0 H LEU A 38 -6.640 -1.719 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.797 -4.238 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.280 -1.610 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.018 -2.998 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.085 -2.409 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.734 -1.015 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.281 -0.284 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.442 -1.140 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.600 -3.476 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.308 -3.624 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.057 -4.535 0.252 1.00 0.00 H new ATOM 292 N ILE A 39 -9.150 -3.606 -4.183 1.00 0.00 N ATOM 293 CA ILE A 39 -10.219 -4.252 -4.922 1.00 0.00 C ATOM 294 C ILE A 39 -9.707 -5.524 -5.593 1.00 0.00 C ATOM 295 O ILE A 39 -10.356 -6.569 -5.538 1.00 0.00 O ATOM 296 CB ILE A 39 -10.754 -3.290 -5.985 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.449 -2.112 -5.297 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.747 -4.017 -6.896 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.790 -1.038 -6.335 1.00 0.00 C ATOM 0 H ILE A 39 -8.931 -2.654 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.018 -4.518 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.925 -2.922 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.357 -2.453 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.801 -1.694 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.123 -3.325 -7.650 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.247 -4.852 -7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.579 -4.392 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.285 -0.201 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.874 -0.689 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.454 -1.459 -7.090 1.00 0.00 H new ATOM 311 N LEU A 40 -8.542 -5.435 -6.219 1.00 0.00 N ATOM 312 CA LEU A 40 -7.959 -6.595 -6.889 1.00 0.00 C ATOM 313 C LEU A 40 -7.435 -7.612 -5.880 1.00 0.00 C ATOM 314 O LEU A 40 -7.657 -8.816 -6.023 1.00 0.00 O ATOM 315 CB LEU A 40 -6.823 -6.147 -7.801 1.00 0.00 C ATOM 316 CG LEU A 40 -7.324 -5.039 -8.737 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.163 -4.546 -9.603 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.451 -5.580 -9.637 1.00 0.00 C ATOM 0 H LEU A 40 -7.985 -4.583 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.741 -7.072 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.986 -5.783 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.456 -6.992 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.713 -4.213 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.515 -3.759 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.373 -4.153 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.773 -5.374 -10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.801 -4.787 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.073 -6.410 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.278 -5.926 -9.017 1.00 0.00 H new ATOM 330 N TRP A 41 -6.734 -7.121 -4.867 1.00 0.00 N ATOM 331 CA TRP A 41 -6.173 -7.999 -3.848 1.00 0.00 C ATOM 332 C TRP A 41 -7.276 -8.691 -3.058 1.00 0.00 C ATOM 333 O TRP A 41 -7.155 -9.863 -2.703 1.00 0.00 O ATOM 334 CB TRP A 41 -5.254 -7.205 -2.911 1.00 0.00 C ATOM 335 CG TRP A 41 -4.797 -8.088 -1.790 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.767 -8.964 -1.857 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.287 -8.139 -0.421 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.643 -9.598 -0.634 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.545 -9.109 0.286 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.301 -7.456 0.266 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.802 -9.386 1.623 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.553 -7.725 1.618 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.806 -8.690 2.291 1.00 0.00 C ATOM 0 H TRP A 41 -6.541 -6.129 -4.729 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.583 -8.769 -4.346 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.394 -6.826 -3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.783 -6.339 -2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.145 -9.139 -2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.967 -10.336 -0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.893 -6.716 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.226 -10.138 2.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.328 -7.183 2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.006 -8.898 3.332 1.00 0.00 H new ATOM 354 N ILE A 42 -8.347 -7.959 -2.786 1.00 0.00 N ATOM 355 CA ILE A 42 -9.463 -8.516 -2.038 1.00 0.00 C ATOM 356 C ILE A 42 -10.086 -9.669 -2.817 1.00 0.00 C ATOM 357 O ILE A 42 -10.402 -10.714 -2.250 1.00 0.00 O ATOM 358 CB ILE A 42 -10.522 -7.428 -1.777 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.057 -6.525 -0.628 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.868 -8.066 -1.407 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.909 -5.255 -0.596 1.00 0.00 C ATOM 0 H ILE A 42 -8.466 -6.986 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.096 -8.888 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.648 -6.838 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.140 -7.055 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.006 -6.267 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.604 -7.283 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.207 -8.701 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.750 -8.668 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.577 -4.615 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.803 -4.722 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.955 -5.522 -0.446 1.00 0.00 H new ATOM 373 N LEU A 43 -10.272 -9.467 -4.113 1.00 0.00 N ATOM 374 CA LEU A 43 -10.878 -10.497 -4.939 1.00 0.00 C ATOM 375 C LEU A 43 -10.035 -11.763 -4.914 1.00 0.00 C ATOM 376 O LEU A 43 -10.564 -12.868 -4.802 1.00 0.00 O ATOM 377 CB LEU A 43 -11.018 -9.999 -6.383 1.00 0.00 C ATOM 378 CG LEU A 43 -11.613 -11.104 -7.274 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.979 -11.551 -6.726 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.775 -10.569 -8.701 1.00 0.00 C ATOM 0 H LEU A 43 -10.016 -8.613 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.866 -10.723 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.658 -9.117 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.043 -9.698 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.942 -11.963 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.389 -12.333 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.856 -11.937 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.661 -10.701 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.196 -11.348 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.442 -9.707 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.802 -10.270 -9.090 1.00 0.00 H new ATOM 392 N ASP A 44 -8.725 -11.597 -5.026 1.00 0.00 N ATOM 393 CA ASP A 44 -7.824 -12.739 -5.022 1.00 0.00 C ATOM 394 C ASP A 44 -7.922 -13.494 -3.703 1.00 0.00 C ATOM 395 O ASP A 44 -7.903 -14.724 -3.678 1.00 0.00 O ATOM 396 CB ASP A 44 -6.386 -12.263 -5.235 1.00 0.00 C ATOM 397 CG ASP A 44 -5.435 -13.457 -5.235 1.00 0.00 C ATOM 398 OD1 ASP A 44 -5.894 -14.557 -4.973 1.00 0.00 O ATOM 399 OD2 ASP A 44 -4.260 -13.252 -5.496 1.00 0.00 O ATOM 0 H ASP A 44 -8.266 -10.691 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.111 -13.410 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.308 -11.726 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.105 -11.564 -4.447 1.00 0.00 H new ATOM 404 N ARG A 45 -8.031 -12.748 -2.612 1.00 0.00 N ATOM 405 CA ARG A 45 -8.132 -13.354 -1.290 1.00 0.00 C ATOM 406 C ARG A 45 -9.390 -14.208 -1.191 1.00 0.00 C ATOM 407 O ARG A 45 -9.380 -15.273 -0.575 1.00 0.00 O ATOM 408 CB ARG A 45 -8.160 -12.268 -0.212 1.00 0.00 C ATOM 409 CG ARG A 45 -8.164 -12.920 1.176 1.00 0.00 C ATOM 410 CD ARG A 45 -8.181 -11.832 2.250 1.00 0.00 C ATOM 411 NE ARG A 45 -8.019 -12.430 3.571 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.327 -11.752 4.671 1.00 0.00 C ATOM 413 NH1 ARG A 45 -8.782 -10.533 4.582 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.175 -12.308 5.844 1.00 0.00 N ATOM 0 H ARG A 45 -8.052 -11.728 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.260 -13.990 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.293 -11.616 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.045 -11.643 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.035 -13.566 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.283 -13.551 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.380 -11.116 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.120 -11.280 2.205 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.664 -13.383 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.902 -10.099 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.018 -10.014 5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.820 -13.262 5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.411 -11.788 6.689 1.00 0.00 H new ATOM 617 N VAL B 27 6.897 12.467 0.152 1.00 0.00 N ATOM 618 CA VAL B 27 5.573 12.212 -0.400 1.00 0.00 C ATOM 619 C VAL B 27 5.682 11.607 -1.799 1.00 0.00 C ATOM 620 O VAL B 27 5.003 10.629 -2.126 1.00 0.00 O ATOM 621 CB VAL B 27 4.777 13.519 -0.459 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.452 13.284 -1.188 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.495 14.010 0.964 1.00 0.00 C ATOM 0 HA VAL B 27 5.056 11.502 0.246 1.00 0.00 H new ATOM 0 HB VAL B 27 5.357 14.270 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.888 14.216 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.651 12.937 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.871 12.532 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.928 14.940 0.922 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.918 13.257 1.501 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.438 14.182 1.483 1.00 0.00 H new ATOM 633 N VAL B 28 6.541 12.198 -2.623 1.00 0.00 N ATOM 634 CA VAL B 28 6.722 11.716 -3.985 1.00 0.00 C ATOM 635 C VAL B 28 7.233 10.281 -3.975 1.00 0.00 C ATOM 636 O VAL B 28 6.723 9.425 -4.698 1.00 0.00 O ATOM 637 CB VAL B 28 7.719 12.612 -4.726 1.00 0.00 C ATOM 638 CG1 VAL B 28 7.994 12.037 -6.118 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.136 14.021 -4.865 1.00 0.00 C ATOM 0 H VAL B 28 7.116 13.003 -2.374 1.00 0.00 H new ATOM 0 HA VAL B 28 5.760 11.745 -4.496 1.00 0.00 H new ATOM 0 HB VAL B 28 8.651 12.656 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.704 12.677 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.412 11.035 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.063 11.989 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.846 14.658 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.203 13.975 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.943 14.434 -3.875 1.00 0.00 H new ATOM 649 N ALA B 29 8.239 10.022 -3.148 1.00 0.00 N ATOM 650 CA ALA B 29 8.808 8.685 -3.059 1.00 0.00 C ATOM 651 C ALA B 29 7.740 7.678 -2.649 1.00 0.00 C ATOM 652 O ALA B 29 7.677 6.581 -3.192 1.00 0.00 O ATOM 653 CB ALA B 29 9.943 8.667 -2.028 1.00 0.00 C ATOM 0 H ALA B 29 8.673 10.713 -2.536 1.00 0.00 H new ATOM 0 HA ALA B 29 9.199 8.411 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.363 7.663 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.721 9.368 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.553 8.957 -1.052 1.00 0.00 H new ATOM 659 N ALA B 30 6.896 8.065 -1.699 1.00 0.00 N ATOM 660 CA ALA B 30 5.843 7.175 -1.228 1.00 0.00 C ATOM 661 C ALA B 30 5.014 6.665 -2.399 1.00 0.00 C ATOM 662 O ALA B 30 4.645 5.491 -2.445 1.00 0.00 O ATOM 663 CB ALA B 30 4.938 7.920 -0.247 1.00 0.00 C ATOM 0 H ALA B 30 6.919 8.978 -1.245 1.00 0.00 H new ATOM 0 HA ALA B 30 6.304 6.324 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.152 7.251 0.103 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.528 8.263 0.603 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.488 8.778 -0.747 1.00 0.00 H new ATOM 669 N ASN B 31 4.731 7.548 -3.348 1.00 0.00 N ATOM 670 CA ASN B 31 3.952 7.161 -4.517 1.00 0.00 C ATOM 671 C ASN B 31 4.701 6.107 -5.331 1.00 0.00 C ATOM 672 O ASN B 31 4.103 5.163 -5.846 1.00 0.00 O ATOM 673 CB ASN B 31 3.677 8.385 -5.391 1.00 0.00 C ATOM 674 CG ASN B 31 2.681 9.302 -4.694 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.982 8.876 -3.774 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.575 10.546 -5.074 1.00 0.00 N ATOM 0 H ASN B 31 5.025 8.525 -3.333 1.00 0.00 H new ATOM 0 HA ASN B 31 3.005 6.739 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.606 8.922 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.283 8.072 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.913 11.167 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.155 10.898 -5.836 1.00 0.00 H new ATOM 683 N ILE B 32 6.016 6.281 -5.449 1.00 0.00 N ATOM 684 CA ILE B 32 6.838 5.343 -6.208 1.00 0.00 C ATOM 685 C ILE B 32 6.835 3.969 -5.547 1.00 0.00 C ATOM 686 O ILE B 32 6.719 2.948 -6.220 1.00 0.00 O ATOM 687 CB ILE B 32 8.276 5.858 -6.306 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.268 7.299 -6.828 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.086 4.975 -7.257 1.00 0.00 C ATOM 690 CD1 ILE B 32 7.486 7.400 -8.142 1.00 0.00 C ATOM 0 H ILE B 32 6.531 7.056 -5.032 1.00 0.00 H new ATOM 0 HA ILE B 32 6.416 5.255 -7.209 1.00 0.00 H new ATOM 0 HB ILE B 32 8.733 5.829 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.822 7.958 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE B 32 9.292 7.640 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.108 5.350 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.097 3.951 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.631 4.994 -8.247 1.00 0.00 H new ATOM 0 HD11 ILE B 32 7.495 8.432 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE B 32 7.950 6.759 -8.892 1.00 0.00 H new ATOM 0 HD13 ILE B 32 6.457 7.081 -7.978 1.00 0.00 H new ATOM 702 N ILE B 33 6.967 3.948 -4.227 1.00 0.00 N ATOM 703 CA ILE B 33 6.982 2.687 -3.496 1.00 0.00 C ATOM 704 C ILE B 33 5.660 1.945 -3.663 1.00 0.00 C ATOM 705 O ILE B 33 5.645 0.741 -3.922 1.00 0.00 O ATOM 706 CB ILE B 33 7.237 2.952 -2.011 1.00 0.00 C ATOM 707 CG1 ILE B 33 8.566 3.698 -1.834 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.280 1.633 -1.249 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.737 2.901 -2.434 1.00 0.00 C ATOM 0 H ILE B 33 7.064 4.780 -3.645 1.00 0.00 H new ATOM 0 HA ILE B 33 7.781 2.066 -3.901 1.00 0.00 H new ATOM 0 HB ILE B 33 6.428 3.566 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE B 33 8.504 4.675 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE B 33 8.748 3.874 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.462 1.829 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.328 1.116 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.081 1.010 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.665 3.456 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.813 1.935 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.565 2.747 -3.499 1.00 0.00 H new ATOM 721 N GLY B 34 4.555 2.660 -3.514 1.00 0.00 N ATOM 722 CA GLY B 34 3.243 2.040 -3.652 1.00 0.00 C ATOM 723 C GLY B 34 3.026 1.517 -5.071 1.00 0.00 C ATOM 724 O GLY B 34 2.662 0.357 -5.271 1.00 0.00 O ATOM 0 H GLY B 34 4.538 3.657 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.149 1.219 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.467 2.765 -3.406 1.00 0.00 H new ATOM 728 N ILE B 35 3.259 2.381 -6.054 1.00 0.00 N ATOM 729 CA ILE B 35 3.089 2.001 -7.452 1.00 0.00 C ATOM 730 C ILE B 35 4.083 0.903 -7.830 1.00 0.00 C ATOM 731 O ILE B 35 3.742 -0.052 -8.528 1.00 0.00 O ATOM 732 CB ILE B 35 3.289 3.223 -8.354 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.146 4.219 -8.115 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.279 2.783 -9.823 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.506 5.573 -8.732 1.00 0.00 C ATOM 0 H ILE B 35 3.564 3.344 -5.910 1.00 0.00 H new ATOM 0 HA ILE B 35 2.078 1.618 -7.590 1.00 0.00 H new ATOM 0 HB ILE B 35 4.244 3.695 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.223 3.841 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE B 35 1.966 4.332 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.421 3.653 -10.464 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.085 2.070 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.323 2.313 -10.056 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.693 6.278 -8.561 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.418 5.952 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.664 5.454 -9.804 1.00 0.00 H new ATOM 747 N LEU B 36 5.316 1.054 -7.373 1.00 0.00 N ATOM 748 CA LEU B 36 6.350 0.074 -7.680 1.00 0.00 C ATOM 749 C LEU B 36 5.952 -1.302 -7.152 1.00 0.00 C ATOM 750 O LEU B 36 6.146 -2.320 -7.822 1.00 0.00 O ATOM 751 CB LEU B 36 7.683 0.505 -7.058 1.00 0.00 C ATOM 752 CG LEU B 36 8.759 -0.559 -7.324 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.911 -0.792 -8.837 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.093 -0.087 -6.734 1.00 0.00 C ATOM 0 H LEU B 36 5.625 1.835 -6.795 1.00 0.00 H new ATOM 0 HA LEU B 36 6.463 0.015 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU B 36 7.996 1.462 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.562 0.650 -5.985 1.00 0.00 H new ATOM 0 HG LEU B 36 8.462 -1.497 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.676 -1.548 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.962 -1.133 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.203 0.140 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.860 -0.839 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.385 0.853 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU B 36 9.984 0.061 -5.660 1.00 0.00 H new ATOM 766 N HIS B 37 5.393 -1.323 -5.950 1.00 0.00 N ATOM 767 CA HIS B 37 4.973 -2.574 -5.336 1.00 0.00 C ATOM 768 C HIS B 37 3.959 -3.283 -6.217 1.00 0.00 C ATOM 769 O HIS B 37 3.989 -4.506 -6.355 1.00 0.00 O ATOM 770 CB HIS B 37 4.359 -2.303 -3.962 1.00 0.00 C ATOM 771 CG HIS B 37 3.936 -3.607 -3.342 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.484 -4.090 -2.165 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.015 -4.545 -3.732 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.892 -5.268 -1.898 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.988 -5.588 -2.819 1.00 0.00 N ATOM 0 H HIS B 37 5.221 -0.492 -5.383 1.00 0.00 H new ATOM 0 HA HIS B 37 5.848 -3.213 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.082 -1.799 -3.320 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.501 -1.638 -4.059 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.402 -4.481 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.123 -5.880 -1.039 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.401 -6.422 -2.848 1.00 0.00 H new ATOM 783 N LEU B 38 3.060 -2.514 -6.812 1.00 0.00 N ATOM 784 CA LEU B 38 2.038 -3.089 -7.677 1.00 0.00 C ATOM 785 C LEU B 38 2.679 -3.817 -8.849 1.00 0.00 C ATOM 786 O LEU B 38 2.221 -4.879 -9.247 1.00 0.00 O ATOM 787 CB LEU B 38 1.107 -1.979 -8.196 1.00 0.00 C ATOM 788 CG LEU B 38 -0.065 -1.764 -7.221 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.623 -0.356 -7.389 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.180 -2.783 -7.502 1.00 0.00 C ATOM 0 H LEU B 38 3.016 -1.500 -6.714 1.00 0.00 H new ATOM 0 HA LEU B 38 1.455 -3.806 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.667 -1.051 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.725 -2.247 -9.181 1.00 0.00 H new ATOM 0 HG LEU B 38 0.299 -1.897 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.452 -0.208 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.160 0.373 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -0.976 -0.224 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.004 -2.622 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.538 -2.658 -8.524 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.790 -3.793 -7.375 1.00 0.00 H new ATOM 802 N ILE B 39 3.729 -3.248 -9.404 1.00 0.00 N ATOM 803 CA ILE B 39 4.379 -3.878 -10.538 1.00 0.00 C ATOM 804 C ILE B 39 4.877 -5.271 -10.156 1.00 0.00 C ATOM 805 O ILE B 39 4.689 -6.233 -10.901 1.00 0.00 O ATOM 806 CB ILE B 39 5.558 -3.018 -10.990 1.00 0.00 C ATOM 807 CG1 ILE B 39 5.031 -1.698 -11.565 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.368 -3.756 -12.062 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.199 -0.737 -11.805 1.00 0.00 C ATOM 0 H ILE B 39 4.145 -2.369 -9.098 1.00 0.00 H new ATOM 0 HA ILE B 39 3.660 -3.972 -11.352 1.00 0.00 H new ATOM 0 HB ILE B 39 6.203 -2.816 -10.135 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.502 -1.883 -12.500 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.315 -1.250 -10.876 1.00 0.00 H new ATOM 0 HG21 ILE B 39 7.206 -3.134 -12.377 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.745 -4.693 -11.652 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.729 -3.966 -12.920 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.821 0.200 -12.214 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.709 -0.542 -10.862 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.899 -1.184 -12.511 1.00 0.00 H new ATOM 821 N LEU B 40 5.508 -5.374 -8.994 1.00 0.00 N ATOM 822 CA LEU B 40 6.020 -6.662 -8.533 1.00 0.00 C ATOM 823 C LEU B 40 4.888 -7.586 -8.096 1.00 0.00 C ATOM 824 O LEU B 40 4.871 -8.770 -8.434 1.00 0.00 O ATOM 825 CB LEU B 40 6.982 -6.447 -7.368 1.00 0.00 C ATOM 826 CG LEU B 40 8.054 -5.428 -7.771 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.979 -5.168 -6.580 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.874 -5.966 -8.957 1.00 0.00 C ATOM 0 H LEU B 40 5.677 -4.594 -8.359 1.00 0.00 H new ATOM 0 HA LEU B 40 6.544 -7.134 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.437 -6.091 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.449 -7.391 -7.089 1.00 0.00 H new ATOM 0 HG LEU B 40 7.571 -4.497 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.743 -4.444 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.397 -4.774 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.457 -6.101 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.633 -5.235 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.358 -6.900 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.213 -6.144 -9.805 1.00 0.00 H new ATOM 840 N TRP B 41 3.948 -7.038 -7.338 1.00 0.00 N ATOM 841 CA TRP B 41 2.821 -7.824 -6.850 1.00 0.00 C ATOM 842 C TRP B 41 1.949 -8.300 -8.005 1.00 0.00 C ATOM 843 O TRP B 41 1.447 -9.422 -7.993 1.00 0.00 O ATOM 844 CB TRP B 41 1.995 -7.007 -5.851 1.00 0.00 C ATOM 845 CG TRP B 41 0.770 -7.778 -5.465 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.722 -8.748 -4.521 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.596 -7.608 -5.941 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.572 -9.227 -4.442 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.421 -8.543 -5.282 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.190 -6.750 -6.879 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.782 -8.622 -5.547 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.565 -6.820 -7.137 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.357 -7.756 -6.475 1.00 0.00 C ATOM 0 H TRP B 41 3.942 -6.060 -7.049 1.00 0.00 H new ATOM 0 HA TRP B 41 3.213 -8.704 -6.340 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.591 -6.785 -4.966 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.712 -6.052 -6.293 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.557 -9.091 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.862 -9.994 -3.835 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.582 -6.030 -7.406 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.392 -9.352 -5.036 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.013 -6.146 -7.852 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.416 -7.810 -6.681 1.00 0.00 H new ATOM 864 N ILE B 42 1.776 -7.440 -8.999 1.00 0.00 N ATOM 865 CA ILE B 42 0.964 -7.787 -10.156 1.00 0.00 C ATOM 866 C ILE B 42 1.588 -8.965 -10.894 1.00 0.00 C ATOM 867 O ILE B 42 0.890 -9.893 -11.303 1.00 0.00 O ATOM 868 CB ILE B 42 0.846 -6.577 -11.101 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.177 -5.583 -10.541 1.00 0.00 C ATOM 870 CG2 ILE B 42 0.398 -7.031 -12.498 1.00 0.00 C ATOM 871 CD1 ILE B 42 -0.043 -4.244 -11.267 1.00 0.00 C ATOM 0 H ILE B 42 2.183 -6.505 -9.028 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.033 -8.068 -9.817 1.00 0.00 H new ATOM 0 HB ILE B 42 1.822 -6.098 -11.178 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.186 -5.976 -10.665 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.018 -5.446 -9.471 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.319 -6.164 -13.154 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.129 -7.729 -12.905 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -0.573 -7.522 -12.427 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.772 -3.539 -10.867 1.00 0.00 H new ATOM 0 HD12 ILE B 42 0.962 -3.850 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.224 -4.388 -12.332 1.00 0.00 H new ATOM 883 N LEU B 43 2.900 -8.915 -11.076 1.00 0.00 N ATOM 884 CA LEU B 43 3.587 -9.979 -11.788 1.00 0.00 C ATOM 885 C LEU B 43 3.398 -11.307 -11.069 1.00 0.00 C ATOM 886 O LEU B 43 3.144 -12.333 -11.700 1.00 0.00 O ATOM 887 CB LEU B 43 5.082 -9.659 -11.899 1.00 0.00 C ATOM 888 CG LEU B 43 5.824 -10.811 -12.602 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.226 -11.052 -13.998 1.00 0.00 C ATOM 890 CD2 LEU B 43 7.308 -10.450 -12.730 1.00 0.00 C ATOM 0 H LEU B 43 3.501 -8.160 -10.745 1.00 0.00 H new ATOM 0 HA LEU B 43 3.162 -10.056 -12.789 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.222 -8.733 -12.457 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.502 -9.500 -10.906 1.00 0.00 H new ATOM 0 HG LEU B 43 5.717 -11.722 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.758 -11.869 -14.486 1.00 0.00 H new ATOM 0 HD12 LEU B 43 4.172 -11.312 -13.902 1.00 0.00 H new ATOM 0 HD13 LEU B 43 5.323 -10.146 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.838 -11.262 -13.227 1.00 0.00 H new ATOM 0 HD22 LEU B 43 7.411 -9.537 -13.316 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.731 -10.294 -11.738 1.00 0.00 H new ATOM 902 N ASP B 44 3.525 -11.282 -9.751 1.00 0.00 N ATOM 903 CA ASP B 44 3.376 -12.496 -8.962 1.00 0.00 C ATOM 904 C ASP B 44 1.971 -13.064 -9.117 1.00 0.00 C ATOM 905 O ASP B 44 1.786 -14.276 -9.214 1.00 0.00 O ATOM 906 CB ASP B 44 3.647 -12.193 -7.488 1.00 0.00 C ATOM 907 CG ASP B 44 3.496 -13.462 -6.656 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.095 -14.470 -7.215 1.00 0.00 O ATOM 909 OD2 ASP B 44 3.779 -13.407 -5.471 1.00 0.00 O ATOM 0 H ASP B 44 3.729 -10.443 -9.209 1.00 0.00 H new ATOM 0 HA ASP B 44 4.095 -13.233 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.653 -11.789 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.954 -11.431 -7.132 1.00 0.00 H new ATOM 914 N ARG B 45 0.985 -12.175 -9.140 1.00 0.00 N ATOM 915 CA ARG B 45 -0.405 -12.594 -9.284 1.00 0.00 C ATOM 916 C ARG B 45 -0.611 -13.305 -10.613 1.00 0.00 C ATOM 917 O ARG B 45 -1.359 -14.278 -10.698 1.00 0.00 O ATOM 918 CB ARG B 45 -1.333 -11.381 -9.197 1.00 0.00 C ATOM 919 CG ARG B 45 -2.793 -11.846 -9.246 1.00 0.00 C ATOM 920 CD ARG B 45 -3.719 -10.634 -9.145 1.00 0.00 C ATOM 921 NE ARG B 45 -5.106 -11.068 -9.026 1.00 0.00 N ATOM 922 CZ ARG B 45 -6.109 -10.229 -9.255 1.00 0.00 C ATOM 923 NH1 ARG B 45 -5.863 -8.993 -9.596 1.00 0.00 N ATOM 924 NH2 ARG B 45 -7.342 -10.642 -9.144 1.00 0.00 N ATOM 0 H ARG B 45 1.120 -11.167 -9.062 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.642 -13.285 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.146 -10.833 -8.274 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.131 -10.696 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.983 -12.385 -10.174 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.993 -12.538 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.444 -10.029 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.602 -10.003 -10.026 1.00 0.00 H new ATOM 0 HE ARG B 45 -5.309 -12.032 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.899 -8.671 -9.687 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.634 -8.349 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -7.534 -11.609 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -8.113 -9.998 -9.320 1.00 0.00 H new ATOM 1127 N VAL C 27 1.586 11.657 8.076 1.00 0.00 N ATOM 1128 CA VAL C 27 2.099 11.455 6.727 1.00 0.00 C ATOM 1129 C VAL C 27 3.404 10.663 6.759 1.00 0.00 C ATOM 1130 O VAL C 27 3.594 9.716 5.992 1.00 0.00 O ATOM 1131 CB VAL C 27 2.332 12.810 6.053 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.021 12.601 4.701 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.987 13.513 5.837 1.00 0.00 C ATOM 0 HA VAL C 27 1.363 10.888 6.158 1.00 0.00 H new ATOM 0 HB VAL C 27 2.966 13.426 6.691 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.186 13.567 4.223 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.979 12.104 4.854 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.389 11.983 4.062 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.153 14.477 5.357 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.352 12.896 5.201 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.498 13.666 6.799 1.00 0.00 H new ATOM 1143 N VAL C 28 4.304 11.059 7.653 1.00 0.00 N ATOM 1144 CA VAL C 28 5.589 10.387 7.771 1.00 0.00 C ATOM 1145 C VAL C 28 5.390 8.925 8.149 1.00 0.00 C ATOM 1146 O VAL C 28 5.991 8.033 7.551 1.00 0.00 O ATOM 1147 CB VAL C 28 6.447 11.081 8.833 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.749 10.302 9.034 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.771 12.506 8.379 1.00 0.00 C ATOM 0 H VAL C 28 4.168 11.835 8.300 1.00 0.00 H new ATOM 0 HA VAL C 28 6.097 10.437 6.808 1.00 0.00 H new ATOM 0 HB VAL C 28 5.897 11.115 9.773 1.00 0.00 H new ATOM 0 HG11 VAL C 28 8.357 10.799 9.790 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.519 9.288 9.361 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.299 10.264 8.094 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.382 12.999 9.136 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.318 12.472 7.437 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.845 13.063 8.241 1.00 0.00 H new ATOM 1159 N ALA C 29 4.539 8.687 9.139 1.00 0.00 N ATOM 1160 CA ALA C 29 4.274 7.326 9.582 1.00 0.00 C ATOM 1161 C ALA C 29 3.733 6.484 8.433 1.00 0.00 C ATOM 1162 O ALA C 29 4.123 5.335 8.264 1.00 0.00 O ATOM 1163 CB ALA C 29 3.254 7.340 10.728 1.00 0.00 C ATOM 0 H ALA C 29 4.026 9.410 9.645 1.00 0.00 H new ATOM 0 HA ALA C 29 5.210 6.889 9.930 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.060 6.318 11.055 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.652 7.919 11.562 1.00 0.00 H new ATOM 0 HB3 ALA C 29 2.325 7.793 10.382 1.00 0.00 H new ATOM 1169 N ALA C 30 2.838 7.067 7.643 1.00 0.00 N ATOM 1170 CA ALA C 30 2.252 6.349 6.520 1.00 0.00 C ATOM 1171 C ALA C 30 3.344 5.767 5.632 1.00 0.00 C ATOM 1172 O ALA C 30 3.232 4.636 5.159 1.00 0.00 O ATOM 1173 CB ALA C 30 1.376 7.296 5.702 1.00 0.00 C ATOM 0 H ALA C 30 2.506 8.025 7.758 1.00 0.00 H new ATOM 0 HA ALA C 30 1.642 5.533 6.908 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.940 6.754 4.863 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.579 7.691 6.333 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.983 8.120 5.326 1.00 0.00 H new ATOM 1179 N ASN C 31 4.399 6.539 5.415 1.00 0.00 N ATOM 1180 CA ASN C 31 5.504 6.076 4.587 1.00 0.00 C ATOM 1181 C ASN C 31 6.173 4.860 5.225 1.00 0.00 C ATOM 1182 O ASN C 31 6.556 3.915 4.534 1.00 0.00 O ATOM 1183 CB ASN C 31 6.533 7.194 4.413 1.00 0.00 C ATOM 1184 CG ASN C 31 5.961 8.284 3.514 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.991 8.050 2.793 1.00 0.00 O ATOM 1186 ND2 ASN C 31 6.506 9.468 3.513 1.00 0.00 N ATOM 0 H ASN C 31 4.514 7.478 5.796 1.00 0.00 H new ATOM 0 HA ASN C 31 5.110 5.793 3.611 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.798 7.612 5.384 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.449 6.794 3.978 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.129 10.203 2.914 1.00 0.00 H new ATOM 0 HD22 ASN C 31 7.310 9.660 4.111 1.00 0.00 H new ATOM 1193 N ILE C 32 6.317 4.896 6.547 1.00 0.00 N ATOM 1194 CA ILE C 32 6.950 3.793 7.270 1.00 0.00 C ATOM 1195 C ILE C 32 6.112 2.524 7.150 1.00 0.00 C ATOM 1196 O ILE C 32 6.645 1.439 6.930 1.00 0.00 O ATOM 1197 CB ILE C 32 7.116 4.155 8.746 1.00 0.00 C ATOM 1198 CG1 ILE C 32 7.825 5.510 8.863 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.945 3.083 9.457 1.00 0.00 C ATOM 1200 CD1 ILE C 32 9.142 5.507 8.078 1.00 0.00 C ATOM 0 H ILE C 32 6.008 5.669 7.136 1.00 0.00 H new ATOM 0 HA ILE C 32 7.931 3.615 6.829 1.00 0.00 H new ATOM 0 HB ILE C 32 6.133 4.214 9.212 1.00 0.00 H new ATOM 0 HG12 ILE C 32 7.174 6.299 8.487 1.00 0.00 H new ATOM 0 HG13 ILE C 32 8.022 5.733 9.912 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.059 3.349 10.508 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.439 2.121 9.378 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.928 3.015 8.992 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.626 6.479 8.176 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.799 4.732 8.473 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.938 5.308 7.026 1.00 0.00 H new ATOM 1212 N ILE C 33 4.801 2.665 7.299 1.00 0.00 N ATOM 1213 CA ILE C 33 3.910 1.515 7.209 1.00 0.00 C ATOM 1214 C ILE C 33 3.975 0.881 5.822 1.00 0.00 C ATOM 1215 O ILE C 33 4.074 -0.339 5.693 1.00 0.00 O ATOM 1216 CB ILE C 33 2.474 1.946 7.508 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.400 2.582 8.902 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.545 0.742 7.440 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.885 1.606 9.987 1.00 0.00 C ATOM 0 H ILE C 33 4.335 3.554 7.481 1.00 0.00 H new ATOM 0 HA ILE C 33 4.232 0.776 7.943 1.00 0.00 H new ATOM 0 HB ILE C 33 2.161 2.679 6.764 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.009 3.486 8.925 1.00 0.00 H new ATOM 0 HG13 ILE C 33 1.374 2.883 9.113 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.524 1.058 7.654 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.588 0.305 6.442 1.00 0.00 H new ATOM 0 HG23 ILE C 33 1.857 -0.000 8.175 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.820 2.086 10.963 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.259 0.713 9.979 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.919 1.326 9.788 1.00 0.00 H new ATOM 1231 N GLY C 34 3.919 1.710 4.789 1.00 0.00 N ATOM 1232 CA GLY C 34 3.970 1.201 3.425 1.00 0.00 C ATOM 1233 C GLY C 34 5.307 0.519 3.140 1.00 0.00 C ATOM 1234 O GLY C 34 5.351 -0.620 2.668 1.00 0.00 O ATOM 0 H GLY C 34 3.839 2.724 4.866 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.157 0.493 3.268 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.820 2.021 2.722 1.00 0.00 H new ATOM 1238 N ILE C 35 6.395 1.219 3.436 1.00 0.00 N ATOM 1239 CA ILE C 35 7.730 0.677 3.211 1.00 0.00 C ATOM 1240 C ILE C 35 7.962 -0.548 4.093 1.00 0.00 C ATOM 1241 O ILE C 35 8.527 -1.552 3.656 1.00 0.00 O ATOM 1242 CB ILE C 35 8.786 1.746 3.509 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.679 2.868 2.468 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.183 1.120 3.434 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.472 4.089 2.941 1.00 0.00 C ATOM 0 H ILE C 35 6.380 2.159 3.831 1.00 0.00 H new ATOM 0 HA ILE C 35 7.814 0.376 2.167 1.00 0.00 H new ATOM 0 HB ILE C 35 8.621 2.152 4.507 1.00 0.00 H new ATOM 0 HG12 ILE C 35 9.062 2.524 1.507 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.634 3.138 2.316 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.934 1.881 3.646 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.262 0.318 4.167 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.348 0.716 2.435 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.394 4.884 2.199 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.069 4.439 3.891 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.519 3.815 3.070 1.00 0.00 H new ATOM 1257 N LEU C 36 7.532 -0.455 5.340 1.00 0.00 N ATOM 1258 CA LEU C 36 7.709 -1.558 6.274 1.00 0.00 C ATOM 1259 C LEU C 36 6.999 -2.808 5.761 1.00 0.00 C ATOM 1260 O LEU C 36 7.527 -3.921 5.853 1.00 0.00 O ATOM 1261 CB LEU C 36 7.152 -1.175 7.653 1.00 0.00 C ATOM 1262 CG LEU C 36 7.276 -2.360 8.623 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.744 -2.809 8.725 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.763 -1.938 10.004 1.00 0.00 C ATOM 0 H LEU C 36 7.062 0.363 5.728 1.00 0.00 H new ATOM 0 HA LEU C 36 8.775 -1.769 6.363 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.694 -0.315 8.046 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.107 -0.878 7.562 1.00 0.00 H new ATOM 0 HG LEU C 36 6.681 -3.194 8.252 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.820 -3.649 9.415 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.100 -3.114 7.741 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.353 -1.982 9.091 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.849 -2.776 10.696 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.356 -1.101 10.372 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.718 -1.636 9.928 1.00 0.00 H new ATOM 1276 N HIS C 37 5.803 -2.619 5.220 1.00 0.00 N ATOM 1277 CA HIS C 37 5.029 -3.735 4.695 1.00 0.00 C ATOM 1278 C HIS C 37 5.804 -4.454 3.607 1.00 0.00 C ATOM 1279 O HIS C 37 5.780 -5.683 3.526 1.00 0.00 O ATOM 1280 CB HIS C 37 3.701 -3.228 4.129 1.00 0.00 C ATOM 1281 CG HIS C 37 2.911 -4.393 3.596 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.681 -4.765 4.113 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.173 -5.285 2.589 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.260 -5.838 3.419 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.130 -6.192 2.478 1.00 0.00 N ATOM 0 H HIS C 37 5.350 -1.709 5.134 1.00 0.00 H new ATOM 0 HA HIS C 37 4.834 -4.434 5.509 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.134 -2.714 4.905 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.884 -2.504 3.335 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.060 -5.282 1.973 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.327 -6.350 3.604 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.048 -6.964 1.817 1.00 0.00 H new ATOM 1293 N LEU C 38 6.492 -3.690 2.775 1.00 0.00 N ATOM 1294 CA LEU C 38 7.272 -4.279 1.692 1.00 0.00 C ATOM 1295 C LEU C 38 8.337 -5.211 2.245 1.00 0.00 C ATOM 1296 O LEU C 38 8.591 -6.269 1.686 1.00 0.00 O ATOM 1297 CB LEU C 38 7.934 -3.165 0.860 1.00 0.00 C ATOM 1298 CG LEU C 38 6.993 -2.712 -0.272 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.343 -1.289 -0.694 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.134 -3.649 -1.481 1.00 0.00 C ATOM 0 H LEU C 38 6.529 -2.672 2.824 1.00 0.00 H new ATOM 0 HA LEU C 38 6.602 -4.857 1.056 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.176 -2.318 1.502 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.873 -3.525 0.439 1.00 0.00 H new ATOM 0 HG LEU C 38 5.966 -2.744 0.090 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.675 -0.972 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.231 -0.619 0.158 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.374 -1.257 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.465 -3.320 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.163 -3.627 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.875 -4.666 -1.186 1.00 0.00 H new ATOM 1312 N ILE C 39 8.965 -4.820 3.336 1.00 0.00 N ATOM 1313 CA ILE C 39 10.007 -5.653 3.909 1.00 0.00 C ATOM 1314 C ILE C 39 9.445 -7.022 4.284 1.00 0.00 C ATOM 1315 O ILE C 39 10.057 -8.052 3.997 1.00 0.00 O ATOM 1316 CB ILE C 39 10.571 -4.970 5.156 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.313 -3.693 4.745 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.537 -5.918 5.877 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.688 -2.890 5.993 1.00 0.00 C ATOM 0 H ILE C 39 8.779 -3.950 3.836 1.00 0.00 H new ATOM 0 HA ILE C 39 10.799 -5.789 3.173 1.00 0.00 H new ATOM 0 HB ILE C 39 9.753 -4.716 5.829 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.211 -3.948 4.181 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.685 -3.091 4.089 1.00 0.00 H new ATOM 0 HG21 ILE C 39 11.935 -5.426 6.764 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.006 -6.823 6.172 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.357 -6.180 5.208 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.215 -1.983 5.697 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.783 -2.622 6.539 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.333 -3.492 6.633 1.00 0.00 H new ATOM 1331 N LEU C 40 8.281 -7.031 4.919 1.00 0.00 N ATOM 1332 CA LEU C 40 7.653 -8.288 5.318 1.00 0.00 C ATOM 1333 C LEU C 40 7.096 -9.036 4.110 1.00 0.00 C ATOM 1334 O LEU C 40 7.276 -10.248 3.981 1.00 0.00 O ATOM 1335 CB LEU C 40 6.530 -8.012 6.312 1.00 0.00 C ATOM 1336 CG LEU C 40 7.067 -7.156 7.464 1.00 0.00 C ATOM 1337 CD1 LEU C 40 5.922 -6.823 8.424 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.171 -7.920 8.217 1.00 0.00 C ATOM 0 H LEU C 40 7.755 -6.193 5.168 1.00 0.00 H new ATOM 0 HA LEU C 40 8.414 -8.913 5.786 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.708 -7.497 5.815 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.132 -8.951 6.697 1.00 0.00 H new ATOM 0 HG LEU C 40 7.487 -6.234 7.063 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.301 -6.214 9.245 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.148 -6.271 7.890 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.500 -7.746 8.822 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.547 -7.304 9.034 1.00 0.00 H new ATOM 0 HD22 LEU C 40 7.762 -8.847 8.619 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.986 -8.150 7.531 1.00 0.00 H new ATOM 1350 N TRP C 41 6.415 -8.308 3.236 1.00 0.00 N ATOM 1351 CA TRP C 41 5.825 -8.915 2.050 1.00 0.00 C ATOM 1352 C TRP C 41 6.904 -9.454 1.122 1.00 0.00 C ATOM 1353 O TRP C 41 6.742 -10.514 0.518 1.00 0.00 O ATOM 1354 CB TRP C 41 4.941 -7.900 1.318 1.00 0.00 C ATOM 1355 CG TRP C 41 4.453 -8.495 0.034 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.391 -9.326 -0.090 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.942 -8.259 -1.320 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.245 -9.665 -1.423 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.165 -9.019 -2.217 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.983 -7.476 -1.845 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.413 -9.001 -3.584 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.225 -7.451 -3.224 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.445 -8.214 -4.088 1.00 0.00 C ATOM 0 H TRP C 41 6.258 -7.304 3.324 1.00 0.00 H new ATOM 0 HA TRP C 41 5.204 -9.753 2.366 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.095 -7.620 1.946 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.505 -6.989 1.118 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.762 -9.668 0.719 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.541 -10.314 -1.775 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.601 -6.890 -1.181 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.808 -9.595 -4.253 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.021 -6.837 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.640 -8.196 -5.150 1.00 0.00 H new ATOM 1374 N ILE C 42 8.002 -8.721 1.013 1.00 0.00 N ATOM 1375 CA ILE C 42 9.100 -9.141 0.155 1.00 0.00 C ATOM 1376 C ILE C 42 9.677 -10.458 0.659 1.00 0.00 C ATOM 1377 O ILE C 42 9.957 -11.363 -0.127 1.00 0.00 O ATOM 1378 CB ILE C 42 10.200 -8.060 0.136 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.772 -6.910 -0.784 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.521 -8.649 -0.373 1.00 0.00 C ATOM 1381 CD1 ILE C 42 10.667 -5.694 -0.537 1.00 0.00 C ATOM 0 H ILE C 42 8.156 -7.840 1.503 1.00 0.00 H new ATOM 0 HA ILE C 42 8.723 -9.281 -0.858 1.00 0.00 H new ATOM 0 HB ILE C 42 10.344 -7.690 1.151 1.00 0.00 H new ATOM 0 HG12 ILE C 42 9.842 -7.220 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE C 42 8.730 -6.651 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.287 -7.873 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE C 42 11.834 -9.461 0.283 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.383 -9.032 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE C 42 10.361 -4.878 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.574 -5.379 0.502 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.704 -5.957 -0.745 1.00 0.00 H new ATOM 1393 N LEU C 43 9.867 -10.555 1.966 1.00 0.00 N ATOM 1394 CA LEU C 43 10.433 -11.763 2.540 1.00 0.00 C ATOM 1395 C LEU C 43 9.544 -12.961 2.241 1.00 0.00 C ATOM 1396 O LEU C 43 10.032 -14.033 1.885 1.00 0.00 O ATOM 1397 CB LEU C 43 10.585 -11.602 4.059 1.00 0.00 C ATOM 1398 CG LEU C 43 11.136 -12.899 4.679 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.486 -13.263 4.039 1.00 0.00 C ATOM 1400 CD2 LEU C 43 11.315 -12.699 6.189 1.00 0.00 C ATOM 0 H LEU C 43 9.641 -9.823 2.639 1.00 0.00 H new ATOM 0 HA LEU C 43 11.414 -11.930 2.094 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.256 -10.772 4.279 1.00 0.00 H new ATOM 0 HB3 LEU C 43 9.620 -11.359 4.505 1.00 0.00 H new ATOM 0 HG LEU C 43 10.433 -13.712 4.496 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.865 -14.182 4.486 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.353 -13.409 2.967 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.199 -12.456 4.209 1.00 0.00 H new ATOM 0 HD21 LEU C 43 11.705 -13.615 6.634 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.014 -11.882 6.367 1.00 0.00 H new ATOM 0 HD23 LEU C 43 10.353 -12.458 6.641 1.00 0.00 H new ATOM 1412 N ASP C 44 8.240 -12.775 2.390 1.00 0.00 N ATOM 1413 CA ASP C 44 7.297 -13.854 2.139 1.00 0.00 C ATOM 1414 C ASP C 44 7.374 -14.303 0.684 1.00 0.00 C ATOM 1415 O ASP C 44 7.311 -15.495 0.389 1.00 0.00 O ATOM 1416 CB ASP C 44 5.876 -13.385 2.456 1.00 0.00 C ATOM 1417 CG ASP C 44 4.883 -14.514 2.197 1.00 0.00 C ATOM 1418 OD1 ASP C 44 5.305 -15.547 1.706 1.00 0.00 O ATOM 1419 OD2 ASP C 44 3.715 -14.325 2.491 1.00 0.00 O ATOM 0 H ASP C 44 7.814 -11.895 2.681 1.00 0.00 H new ATOM 0 HA ASP C 44 7.554 -14.696 2.781 1.00 0.00 H new ATOM 0 HB2 ASP C 44 5.813 -13.066 3.496 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.624 -12.520 1.842 1.00 0.00 H new ATOM 1424 N ARG C 45 7.511 -13.338 -0.217 1.00 0.00 N ATOM 1425 CA ARG C 45 7.595 -13.640 -1.640 1.00 0.00 C ATOM 1426 C ARG C 45 8.819 -14.499 -1.930 1.00 0.00 C ATOM 1427 O ARG C 45 8.773 -15.401 -2.765 1.00 0.00 O ATOM 1428 CB ARG C 45 7.668 -12.346 -2.452 1.00 0.00 C ATOM 1429 CG ARG C 45 7.653 -12.673 -3.948 1.00 0.00 C ATOM 1430 CD ARG C 45 7.719 -11.378 -4.757 1.00 0.00 C ATOM 1431 NE ARG C 45 7.539 -11.660 -6.175 1.00 0.00 N ATOM 1432 CZ ARG C 45 7.873 -10.768 -7.101 1.00 0.00 C ATOM 1433 NH1 ARG C 45 8.368 -9.614 -6.745 1.00 0.00 N ATOM 1434 NH2 ARG C 45 7.703 -11.042 -8.365 1.00 0.00 N ATOM 0 H ARG C 45 7.566 -12.345 0.011 1.00 0.00 H new ATOM 0 HA ARG C 45 6.700 -14.192 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.825 -11.701 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.575 -11.797 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.498 -13.314 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.748 -13.226 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.948 -10.688 -4.415 1.00 0.00 H new ATOM 0 HD3 ARG C 45 8.679 -10.888 -4.595 1.00 0.00 H new ATOM 0 HE ARG C 45 7.150 -12.558 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG C 45 8.498 -9.398 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG C 45 8.625 -8.928 -7.455 1.00 0.00 H new ATOM 0 HH21 ARG C 45 7.313 -11.942 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG C 45 7.960 -10.356 -9.075 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.246 12.437 2.741 1.00 0.00 N ATOM 1638 CA VAL D 27 -4.938 12.003 3.216 1.00 0.00 C ATOM 1639 C VAL D 27 -5.083 11.110 4.446 1.00 0.00 C ATOM 1640 O VAL D 27 -4.456 10.050 4.543 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.082 13.224 3.560 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -2.775 12.772 4.217 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.763 14.003 2.279 1.00 0.00 C ATOM 0 HA VAL D 27 -4.452 11.430 2.426 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.632 13.864 4.251 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.169 13.645 4.460 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -2.999 12.220 5.130 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.226 12.129 3.529 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.153 14.873 2.524 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.217 13.360 1.589 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.692 14.331 1.812 1.00 0.00 H new ATOM 1653 N VAL D 28 -5.912 11.546 5.389 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.124 10.785 6.612 1.00 0.00 C ATOM 1655 C VAL D 28 -6.704 9.415 6.288 1.00 0.00 C ATOM 1656 O VAL D 28 -6.239 8.397 6.802 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.077 11.542 7.540 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -7.389 10.685 8.768 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -6.425 12.852 7.986 1.00 0.00 C ATOM 0 H VAL D 28 -6.443 12.415 5.330 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.164 10.654 7.111 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.002 11.759 7.006 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.068 11.227 9.427 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -7.857 9.753 8.452 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.465 10.464 9.302 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.105 13.390 8.647 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -5.498 12.635 8.517 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.207 13.466 7.112 1.00 0.00 H new ATOM 1669 N ALA D 29 -7.716 9.394 5.428 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.347 8.139 5.050 1.00 0.00 C ATOM 1671 C ALA D 29 -7.327 7.196 4.422 1.00 0.00 C ATOM 1672 O ALA D 29 -7.320 6.003 4.707 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.479 8.403 4.048 1.00 0.00 C ATOM 0 H ALA D 29 -8.112 10.223 4.985 1.00 0.00 H new ATOM 0 HA ALA D 29 -8.754 7.675 5.948 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -9.946 7.458 3.770 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.223 9.056 4.504 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.072 8.883 3.158 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.464 7.740 3.573 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.454 6.927 2.910 1.00 0.00 C ATOM 1681 C ALA D 30 -4.653 6.134 3.935 1.00 0.00 C ATOM 1682 O ALA D 30 -4.335 4.965 3.716 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.511 7.824 2.108 1.00 0.00 C ATOM 0 H ALA D 30 -6.443 8.730 3.329 1.00 0.00 H new ATOM 0 HA ALA D 30 -5.955 6.231 2.237 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.757 7.210 1.614 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.081 8.373 1.358 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.021 8.530 2.779 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.338 6.768 5.055 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.584 6.096 6.107 1.00 0.00 C ATOM 1691 C ASN D 31 -4.384 4.929 6.674 1.00 0.00 C ATOM 1692 O ASN D 31 -3.832 3.867 6.968 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.251 7.084 7.226 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.209 8.083 6.739 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.536 7.840 5.738 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.035 9.200 7.388 1.00 0.00 N ATOM 0 H ASN D 31 -4.588 7.735 5.259 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.658 5.713 5.678 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.153 7.609 7.540 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.875 6.548 8.097 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.340 9.874 7.066 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.594 9.400 8.218 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.690 5.134 6.831 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.559 4.090 7.374 1.00 0.00 C ATOM 1705 C ILE D 32 -6.619 2.897 6.426 1.00 0.00 C ATOM 1706 O ILE D 32 -6.554 1.748 6.860 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.970 4.639 7.592 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.895 5.928 8.419 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.826 3.607 8.334 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -7.121 5.697 9.722 1.00 0.00 C ATOM 0 H ILE D 32 -6.167 6.004 6.593 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.146 3.764 8.329 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.424 4.850 6.624 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.409 6.711 7.837 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -8.902 6.278 8.646 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.829 4.007 8.485 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.885 2.692 7.745 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.374 3.387 9.301 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -7.081 6.626 10.291 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -7.623 4.931 10.312 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -6.107 5.370 9.490 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.747 3.172 5.136 1.00 0.00 N ATOM 1723 CA ILE D 33 -6.820 2.106 4.145 1.00 0.00 C ATOM 1724 C ILE D 33 -5.536 1.283 4.135 1.00 0.00 C ATOM 1725 O ILE D 33 -5.578 0.054 4.125 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.057 2.704 2.757 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.346 3.536 2.758 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.167 1.591 1.723 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.557 2.685 3.175 1.00 0.00 C ATOM 0 H ILE D 33 -6.802 4.116 4.752 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.650 1.450 4.408 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.215 3.348 2.502 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -8.238 4.378 3.441 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.515 3.951 1.764 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.336 2.025 0.738 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.243 1.013 1.711 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.001 0.938 1.979 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.456 3.302 3.166 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -9.678 1.857 2.476 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.397 2.291 4.179 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.397 1.962 4.140 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.118 1.268 4.129 1.00 0.00 C ATOM 1743 C GLY D 34 -2.931 0.434 5.396 1.00 0.00 C ATOM 1744 O GLY D 34 -2.621 -0.757 5.332 1.00 0.00 O ATOM 0 H GLY D 34 -4.332 2.980 4.151 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.059 0.622 3.253 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.308 1.993 4.045 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.128 1.069 6.546 1.00 0.00 N ATOM 1749 CA ILE D 35 -2.981 0.382 7.824 1.00 0.00 C ATOM 1750 C ILE D 35 -4.026 -0.724 7.959 1.00 0.00 C ATOM 1751 O ILE D 35 -3.733 -1.825 8.424 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.127 1.384 8.975 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -1.942 2.354 8.956 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.142 0.629 10.311 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.238 3.546 9.871 1.00 0.00 C ATOM 0 H ILE D 35 -3.388 2.052 6.620 1.00 0.00 H new ATOM 0 HA ILE D 35 -1.990 -0.069 7.866 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.058 1.939 8.859 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.037 1.845 9.287 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -1.759 2.700 7.939 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.246 1.341 11.130 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -3.981 -0.067 10.326 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.210 0.076 10.427 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.393 4.235 9.856 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.132 4.061 9.520 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.399 3.192 10.889 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.249 -0.420 7.555 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.327 -1.394 7.645 1.00 0.00 C ATOM 1769 C LEU D 36 -5.993 -2.635 6.820 1.00 0.00 C ATOM 1770 O LEU D 36 -6.241 -3.766 7.247 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.638 -0.772 7.142 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.766 -1.819 7.176 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.931 -2.374 8.600 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.074 -1.166 6.714 1.00 0.00 C ATOM 0 H LEU D 36 -5.519 0.483 7.165 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.446 -1.687 8.688 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.906 0.083 7.763 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.507 -0.400 6.126 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.514 -2.643 6.509 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.732 -3.114 8.612 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.000 -2.842 8.918 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.179 -1.560 9.281 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.876 -1.903 6.736 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.323 -0.339 7.379 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -9.954 -0.791 5.698 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.429 -2.414 5.639 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.068 -3.518 4.760 1.00 0.00 C ATOM 1788 C HIS D 37 -4.092 -4.449 5.456 1.00 0.00 C ATOM 1789 O HIS D 37 -4.181 -5.670 5.320 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.437 -2.978 3.477 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.075 -4.129 2.581 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.642 -4.309 1.331 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.201 -5.173 2.746 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.104 -5.422 0.803 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.220 -5.985 1.623 1.00 0.00 N ATOM 0 H HIS D 37 -5.213 -1.488 5.270 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.972 -4.075 4.511 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.133 -2.311 2.968 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.549 -2.392 3.713 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.589 -5.338 3.621 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.359 -5.813 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.674 -6.831 1.460 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.160 -3.875 6.203 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.171 -4.676 6.912 1.00 0.00 C ATOM 1805 C LEU D 38 -2.850 -5.613 7.898 1.00 0.00 C ATOM 1806 O LEU D 38 -2.443 -6.757 8.051 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.191 -3.754 7.660 1.00 0.00 C ATOM 1808 CG LEU D 38 -0.006 -3.382 6.750 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.607 -2.068 7.216 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.062 -4.484 6.798 1.00 0.00 C ATOM 0 H LEU D 38 -3.067 -2.868 6.334 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.622 -5.274 6.185 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.707 -2.850 7.984 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.826 -4.252 8.558 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.368 -3.276 5.727 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.445 -1.808 6.570 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.144 -1.280 7.171 1.00 0.00 H new ATOM 0 HD13 LEU D 38 0.959 -2.175 8.242 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.896 -4.211 6.151 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.420 -4.600 7.821 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.630 -5.424 6.456 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.875 -5.131 8.570 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.559 -5.965 9.543 1.00 0.00 C ATOM 1824 C ILE D 39 -5.122 -7.214 8.866 1.00 0.00 C ATOM 1825 O ILE D 39 -4.981 -8.324 9.379 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.698 -5.170 10.181 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.112 -4.035 11.026 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.545 -6.088 11.069 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.235 -3.100 11.485 1.00 0.00 C ATOM 0 H ILE D 39 -4.249 -4.188 8.466 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.849 -6.271 10.311 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.330 -4.754 9.396 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.590 -4.445 11.891 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.377 -3.478 10.445 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.354 -5.513 11.519 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.964 -6.893 10.465 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.920 -6.512 11.855 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.814 -2.294 12.086 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.737 -2.679 10.614 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.954 -3.661 12.082 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.753 -7.029 7.716 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.323 -8.158 6.984 1.00 0.00 C ATOM 1843 C LEU D 40 -5.232 -9.014 6.348 1.00 0.00 C ATOM 1844 O LEU D 40 -5.270 -10.243 6.421 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.267 -7.647 5.901 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.293 -6.692 6.525 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.198 -6.132 5.424 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.144 -7.440 7.566 1.00 0.00 C ATOM 0 H LEU D 40 -5.884 -6.121 7.271 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.873 -8.777 7.693 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.702 -7.133 5.124 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.777 -8.484 5.424 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.769 -5.874 7.020 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.928 -5.453 5.864 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.593 -5.592 4.695 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.717 -6.952 4.928 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.869 -6.754 8.004 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.669 -8.264 7.083 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.497 -7.833 8.350 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.265 -8.357 5.722 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.176 -9.067 5.066 1.00 0.00 C ATOM 1862 C TRP D 41 -2.333 -9.827 6.083 1.00 0.00 C ATOM 1863 O TRP D 41 -1.887 -10.943 5.822 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.304 -8.091 4.270 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.114 -8.812 3.717 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.107 -9.552 2.583 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.256 -8.811 4.209 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.165 -10.060 2.392 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.039 -9.616 3.357 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.885 -8.210 5.308 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.394 -9.813 3.588 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.254 -8.398 5.537 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.004 -9.201 4.681 1.00 0.00 C ATOM 0 H TRP D 41 -4.212 -7.341 5.655 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.609 -9.790 4.375 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.883 -7.650 3.459 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.979 -7.272 4.912 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.955 -9.718 1.935 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.423 -10.687 1.630 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.309 -7.596 5.985 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.972 -10.438 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.730 -7.919 6.380 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.058 -9.349 4.864 1.00 0.00 H new ATOM 1884 N ILE D 42 -2.122 -9.217 7.241 1.00 0.00 N ATOM 1885 CA ILE D 42 -1.334 -9.852 8.287 1.00 0.00 C ATOM 1886 C ILE D 42 -2.017 -11.130 8.750 1.00 0.00 C ATOM 1887 O ILE D 42 -1.368 -12.159 8.939 1.00 0.00 O ATOM 1888 CB ILE D 42 -1.163 -8.886 9.477 1.00 0.00 C ATOM 1889 CG1 ILE D 42 -0.090 -7.842 9.144 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -0.744 -9.654 10.735 1.00 0.00 C ATOM 1891 CD1 ILE D 42 -0.164 -6.692 10.145 1.00 0.00 C ATOM 0 H ILE D 42 -2.482 -8.292 7.478 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.351 -10.101 7.888 1.00 0.00 H new ATOM 0 HB ILE D 42 -2.117 -8.392 9.663 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.899 -8.300 9.174 1.00 0.00 H new ATOM 0 HG13 ILE D 42 -0.237 -7.466 8.132 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -0.628 -8.957 11.565 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -1.509 -10.390 10.984 1.00 0.00 H new ATOM 0 HG23 ILE D 42 0.203 -10.162 10.553 1.00 0.00 H new ATOM 0 HD11 ILE D 42 0.600 -5.952 9.906 1.00 0.00 H new ATOM 0 HD12 ILE D 42 -1.149 -6.227 10.093 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.004 -7.075 11.152 1.00 0.00 H new ATOM 1903 N LEU D 43 -3.324 -11.058 8.948 1.00 0.00 N ATOM 1904 CA LEU D 43 -4.066 -12.220 9.410 1.00 0.00 C ATOM 1905 C LEU D 43 -3.938 -13.364 8.416 1.00 0.00 C ATOM 1906 O LEU D 43 -3.738 -14.513 8.804 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.545 -11.861 9.596 1.00 0.00 C ATOM 1908 CG LEU D 43 -6.344 -13.100 10.039 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.761 -13.667 11.345 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.809 -12.705 10.254 1.00 0.00 C ATOM 0 H LEU D 43 -3.886 -10.220 8.799 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.650 -12.536 10.366 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.644 -11.071 10.340 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.952 -11.472 8.663 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.280 -13.865 9.266 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.334 -14.543 11.649 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.721 -13.951 11.186 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -5.815 -12.909 12.127 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -8.379 -13.579 10.568 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.869 -11.937 11.025 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -8.222 -12.318 9.323 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.057 -13.043 7.136 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.961 -14.058 6.097 1.00 0.00 C ATOM 1924 C ASP D 44 -2.586 -14.712 6.117 1.00 0.00 C ATOM 1925 O ASP D 44 -2.459 -15.923 5.943 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.211 -13.427 4.729 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.119 -14.488 3.638 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -3.769 -15.612 3.960 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.396 -14.160 2.497 1.00 0.00 O ATOM 0 H ASP D 44 -4.219 -12.096 6.794 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.716 -14.821 6.286 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.195 -12.959 4.710 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.480 -12.640 4.544 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.558 -13.899 6.330 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.191 -14.404 6.369 1.00 0.00 C ATOM 1936 C ARG D 45 -0.024 -15.401 7.510 1.00 0.00 C ATOM 1937 O ARG D 45 0.675 -16.404 7.373 1.00 0.00 O ATOM 1938 CB ARG D 45 0.796 -13.248 6.547 1.00 0.00 C ATOM 1939 CG ARG D 45 2.232 -13.781 6.483 1.00 0.00 C ATOM 1940 CD ARG D 45 3.213 -12.622 6.655 1.00 0.00 C ATOM 1941 NE ARG D 45 4.579 -13.084 6.432 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.620 -12.363 6.831 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.430 -11.221 7.434 1.00 0.00 N ATOM 1944 NH2 ARG D 45 6.833 -12.796 6.621 1.00 0.00 N ATOM 0 H ARG D 45 -1.644 -12.893 6.478 1.00 0.00 H new ATOM 0 HA ARG D 45 0.015 -14.908 5.425 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.640 -12.501 5.769 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.623 -12.754 7.503 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.390 -14.525 7.264 1.00 0.00 H new ATOM 0 HG3 ARG D 45 2.404 -14.279 5.529 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.972 -11.824 5.953 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.121 -12.204 7.657 1.00 0.00 H new ATOM 0 HE ARG D 45 4.737 -13.975 5.962 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.482 -10.883 7.599 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.230 -10.667 7.741 1.00 0.00 H new ATOM 0 HH21 ARG D 45 6.982 -13.689 6.150 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.633 -12.242 6.928 1.00 0.00 H new