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= -1.24 K(o=-1.2,f=-4.2!) USER MOD Single : A 37 HIS : no HD1:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.6!) USER MOD Single : B 37 HIS : no HD1:sc= -9.71! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.5!) USER MOD Single : C 37 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.0829 K(o=-0.083,f=-2.2!) USER MOD Single : D 37 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.627 12.763 -5.656 1.00 0.00 N ATOM 108 CA VAL A 27 -1.209 12.432 -4.359 1.00 0.00 C ATOM 109 C VAL A 27 -2.594 11.814 -4.535 1.00 0.00 C ATOM 110 O VAL A 27 -2.918 10.806 -3.907 1.00 0.00 O ATOM 111 CB VAL A 27 -1.306 13.691 -3.493 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.056 13.373 -2.196 1.00 0.00 C ATOM 113 CG2 VAL A 27 0.103 14.183 -3.156 1.00 0.00 C ATOM 0 HA VAL A 27 -0.564 11.705 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.846 14.464 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.122 14.272 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.060 13.021 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.521 12.599 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.038 15.079 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.639 13.406 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.638 14.415 -4.077 1.00 0.00 H new ATOM 123 N VAL A 28 -3.404 12.426 -5.392 1.00 0.00 N ATOM 124 CA VAL A 28 -4.753 11.929 -5.639 1.00 0.00 C ATOM 125 C VAL A 28 -4.703 10.541 -6.270 1.00 0.00 C ATOM 126 O VAL A 28 -5.434 9.638 -5.868 1.00 0.00 O ATOM 127 CB VAL A 28 -5.501 12.892 -6.565 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.869 12.303 -6.925 1.00 0.00 C ATOM 129 CG2 VAL A 28 -5.695 14.232 -5.852 1.00 0.00 C ATOM 0 H VAL A 28 -3.153 13.260 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.279 11.862 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.922 13.042 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.399 12.991 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.732 11.348 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.450 12.151 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.227 14.920 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.274 14.079 -4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.722 14.653 -5.597 1.00 0.00 H new ATOM 139 N ALA A 29 -3.833 10.379 -7.263 1.00 0.00 N ATOM 140 CA ALA A 29 -3.697 9.097 -7.943 1.00 0.00 C ATOM 141 C ALA A 29 -3.192 8.029 -6.982 1.00 0.00 C ATOM 142 O ALA A 29 -3.631 6.880 -7.028 1.00 0.00 O ATOM 143 CB ALA A 29 -2.725 9.226 -9.116 1.00 0.00 C ATOM 0 H ALA A 29 -3.217 11.113 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.679 8.802 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.630 8.263 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.102 9.967 -9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.749 9.540 -8.747 1.00 0.00 H new ATOM 149 N ALA A 30 -2.265 8.410 -6.110 1.00 0.00 N ATOM 150 CA ALA A 30 -1.707 7.468 -5.147 1.00 0.00 C ATOM 151 C ALA A 30 -2.812 6.847 -4.301 1.00 0.00 C ATOM 152 O ALA A 30 -2.862 5.629 -4.126 1.00 0.00 O ATOM 153 CB ALA A 30 -0.704 8.182 -4.239 1.00 0.00 C ATOM 0 H ALA A 30 -1.887 9.355 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.199 6.675 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.292 7.471 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.103 8.597 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.207 8.987 -3.703 1.00 0.00 H new ATOM 159 N ASN A 31 -3.696 7.688 -3.777 1.00 0.00 N ATOM 160 CA ASN A 31 -4.796 7.204 -2.951 1.00 0.00 C ATOM 161 C ASN A 31 -5.737 6.321 -3.765 1.00 0.00 C ATOM 162 O ASN A 31 -6.199 5.285 -3.287 1.00 0.00 O ATOM 163 CB ASN A 31 -5.573 8.391 -2.378 1.00 0.00 C ATOM 164 CG ASN A 31 -4.732 9.108 -1.327 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.798 8.525 -0.778 1.00 0.00 O ATOM 166 ND2 ASN A 31 -5.006 10.344 -1.017 1.00 0.00 N ATOM 0 H ASN A 31 -3.674 8.699 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.380 6.610 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.838 9.083 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.506 8.045 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.445 10.831 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.781 10.825 -1.474 1.00 0.00 H new ATOM 173 N ILE A 32 -6.018 6.736 -4.997 1.00 0.00 N ATOM 174 CA ILE A 32 -6.907 5.973 -5.867 1.00 0.00 C ATOM 175 C ILE A 32 -6.298 4.613 -6.197 1.00 0.00 C ATOM 176 O ILE A 32 -6.981 3.590 -6.168 1.00 0.00 O ATOM 177 CB ILE A 32 -7.167 6.754 -7.160 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.981 8.011 -6.835 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.956 5.881 -8.141 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.009 8.932 -8.056 1.00 0.00 C ATOM 0 H ILE A 32 -5.646 7.590 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.851 5.814 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.215 7.035 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.997 7.736 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.542 8.531 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.139 6.439 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.383 4.983 -8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.908 5.599 -7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.588 9.826 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.991 9.218 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.468 8.410 -8.895 1.00 0.00 H new ATOM 192 N ILE A 33 -5.005 4.609 -6.510 1.00 0.00 N ATOM 193 CA ILE A 33 -4.312 3.371 -6.844 1.00 0.00 C ATOM 194 C ILE A 33 -4.295 2.418 -5.647 1.00 0.00 C ATOM 195 O ILE A 33 -4.527 1.218 -5.800 1.00 0.00 O ATOM 196 CB ILE A 33 -2.878 3.684 -7.291 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.910 4.394 -8.650 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.071 2.391 -7.411 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.526 4.970 -8.963 1.00 0.00 C ATOM 0 H ILE A 33 -4.420 5.444 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.845 2.883 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.407 4.330 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.208 3.694 -9.430 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.652 5.192 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.055 2.624 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.042 1.889 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.540 1.736 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.552 5.474 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.245 5.684 -8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.794 4.163 -8.994 1.00 0.00 H new ATOM 211 N GLY A 34 -4.018 2.951 -4.462 1.00 0.00 N ATOM 212 CA GLY A 34 -3.973 2.124 -3.261 1.00 0.00 C ATOM 213 C GLY A 34 -5.328 1.474 -2.996 1.00 0.00 C ATOM 214 O GLY A 34 -5.410 0.283 -2.684 1.00 0.00 O ATOM 0 H GLY A 34 -3.823 3.940 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.211 1.353 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.684 2.734 -2.405 1.00 0.00 H new ATOM 218 N ILE A 35 -6.389 2.261 -3.128 1.00 0.00 N ATOM 219 CA ILE A 35 -7.739 1.757 -2.906 1.00 0.00 C ATOM 220 C ILE A 35 -8.075 0.683 -3.940 1.00 0.00 C ATOM 221 O ILE A 35 -8.647 -0.360 -3.613 1.00 0.00 O ATOM 222 CB ILE A 35 -8.745 2.908 -2.991 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.517 3.858 -1.811 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.169 2.352 -2.927 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.268 5.169 -2.053 1.00 0.00 C ATOM 0 H ILE A 35 -6.342 3.247 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.794 1.313 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.610 3.444 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.862 3.395 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.452 4.055 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.883 3.173 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.330 1.668 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.309 1.818 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.104 5.843 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.902 5.635 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.334 4.965 -2.152 1.00 0.00 H new ATOM 237 N LEU A 36 -7.705 0.945 -5.190 1.00 0.00 N ATOM 238 CA LEU A 36 -7.966 -0.002 -6.265 1.00 0.00 C ATOM 239 C LEU A 36 -7.256 -1.319 -5.978 1.00 0.00 C ATOM 240 O LEU A 36 -7.793 -2.395 -6.247 1.00 0.00 O ATOM 241 CB LEU A 36 -7.482 0.570 -7.604 1.00 0.00 C ATOM 242 CG LEU A 36 -7.789 -0.407 -8.750 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.306 -0.651 -8.858 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.268 0.186 -10.064 1.00 0.00 C ATOM 0 H LEU A 36 -7.228 1.798 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.040 -0.179 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.968 1.527 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.410 0.761 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.298 -1.359 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.506 -1.345 -9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.674 -1.075 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.814 0.294 -9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.482 -0.501 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.760 1.140 -10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.191 0.341 -9.992 1.00 0.00 H new ATOM 256 N HIS A 37 -6.051 -1.227 -5.429 1.00 0.00 N ATOM 257 CA HIS A 37 -5.284 -2.422 -5.110 1.00 0.00 C ATOM 258 C HIS A 37 -6.071 -3.304 -4.151 1.00 0.00 C ATOM 259 O HIS A 37 -6.093 -4.527 -4.297 1.00 0.00 O ATOM 260 CB HIS A 37 -3.954 -2.039 -4.459 1.00 0.00 C ATOM 261 CG HIS A 37 -3.165 -3.291 -4.188 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.944 -3.546 -4.788 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.424 -4.382 -3.398 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.521 -4.746 -4.352 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.385 -5.297 -3.503 1.00 0.00 N ATOM 0 H HIS A 37 -5.589 -0.348 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.091 -2.966 -6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.392 -1.374 -5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.131 -1.497 -3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.304 -4.510 -2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.592 -5.207 -4.654 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.302 -6.197 -3.031 1.00 0.00 H new ATOM 273 N LEU A 38 -6.716 -2.683 -3.172 1.00 0.00 N ATOM 274 CA LEU A 38 -7.497 -3.432 -2.196 1.00 0.00 C ATOM 275 C LEU A 38 -8.621 -4.209 -2.870 1.00 0.00 C ATOM 276 O LEU A 38 -8.896 -5.344 -2.496 1.00 0.00 O ATOM 277 CB LEU A 38 -8.082 -2.479 -1.131 1.00 0.00 C ATOM 278 CG LEU A 38 -7.108 -2.344 0.059 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.368 -1.033 0.798 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.309 -3.521 1.034 1.00 0.00 C ATOM 0 H LEU A 38 -6.715 -1.673 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.830 -4.145 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.267 -1.499 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.043 -2.858 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.086 -2.352 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.677 -0.945 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.220 -0.196 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.393 -1.022 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.619 -3.421 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.334 -3.515 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.116 -4.460 0.515 1.00 0.00 H new ATOM 292 N ILE A 39 -9.269 -3.602 -3.852 1.00 0.00 N ATOM 293 CA ILE A 39 -10.365 -4.282 -4.532 1.00 0.00 C ATOM 294 C ILE A 39 -9.859 -5.544 -5.232 1.00 0.00 C ATOM 295 O ILE A 39 -10.491 -6.597 -5.161 1.00 0.00 O ATOM 296 CB ILE A 39 -11.002 -3.337 -5.557 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.703 -2.195 -4.815 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.027 -4.101 -6.399 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.115 -1.110 -5.811 1.00 0.00 C ATOM 0 H ILE A 39 -9.064 -2.662 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.112 -4.571 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.229 -2.935 -6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.581 -2.573 -4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.037 -1.776 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.477 -3.425 -7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.531 -4.919 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.804 -4.504 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.613 -0.299 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.229 -0.723 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.796 -1.533 -6.549 1.00 0.00 H new ATOM 311 N LEU A 40 -8.728 -5.431 -5.912 1.00 0.00 N ATOM 312 CA LEU A 40 -8.160 -6.577 -6.616 1.00 0.00 C ATOM 313 C LEU A 40 -7.570 -7.595 -5.637 1.00 0.00 C ATOM 314 O LEU A 40 -7.763 -8.801 -5.793 1.00 0.00 O ATOM 315 CB LEU A 40 -7.079 -6.098 -7.586 1.00 0.00 C ATOM 316 CG LEU A 40 -7.647 -4.976 -8.465 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.552 -4.466 -9.407 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.833 -5.503 -9.291 1.00 0.00 C ATOM 0 H LEU A 40 -8.189 -4.569 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.959 -7.069 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.211 -5.738 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.739 -6.926 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.992 -4.161 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.953 -3.669 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.717 -4.082 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.206 -5.284 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.230 -4.700 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.498 -6.322 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.613 -5.862 -8.620 1.00 0.00 H new ATOM 330 N TRP A 41 -6.842 -7.103 -4.634 1.00 0.00 N ATOM 331 CA TRP A 41 -6.218 -7.981 -3.645 1.00 0.00 C ATOM 332 C TRP A 41 -7.260 -8.671 -2.766 1.00 0.00 C ATOM 333 O TRP A 41 -7.183 -9.877 -2.536 1.00 0.00 O ATOM 334 CB TRP A 41 -5.246 -7.169 -2.776 1.00 0.00 C ATOM 335 CG TRP A 41 -4.761 -7.993 -1.621 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.724 -8.860 -1.656 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.257 -8.005 -0.253 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.572 -9.424 -0.401 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.488 -8.920 0.498 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.294 -7.315 0.402 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.740 -9.145 1.849 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.541 -7.536 1.764 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.767 -8.448 2.484 1.00 0.00 C ATOM 0 H TRP A 41 -6.671 -6.108 -4.486 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.672 -8.759 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.398 -6.841 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.742 -6.271 -2.407 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.115 -9.077 -2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.869 -10.126 -0.170 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.902 -6.612 -0.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.143 -9.855 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.335 -6.997 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.964 -8.614 3.533 1.00 0.00 H new ATOM 354 N ILE A 42 -8.224 -7.906 -2.269 1.00 0.00 N ATOM 355 CA ILE A 42 -9.257 -8.473 -1.409 1.00 0.00 C ATOM 356 C ILE A 42 -10.100 -9.476 -2.192 1.00 0.00 C ATOM 357 O ILE A 42 -10.491 -10.518 -1.668 1.00 0.00 O ATOM 358 CB ILE A 42 -10.150 -7.355 -0.839 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.944 -7.888 0.357 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.128 -6.851 -1.912 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.696 -6.731 1.022 1.00 0.00 C ATOM 0 H ILE A 42 -8.313 -6.905 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.777 -8.991 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.513 -6.529 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.647 -8.653 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.271 -8.359 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.752 -6.061 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.567 -6.459 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.760 -7.675 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.262 -7.107 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.982 -5.981 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.379 -6.280 0.303 1.00 0.00 H new ATOM 373 N LEU A 43 -10.375 -9.148 -3.451 1.00 0.00 N ATOM 374 CA LEU A 43 -11.173 -10.023 -4.301 1.00 0.00 C ATOM 375 C LEU A 43 -10.481 -11.370 -4.487 1.00 0.00 C ATOM 376 O LEU A 43 -11.127 -12.417 -4.450 1.00 0.00 O ATOM 377 CB LEU A 43 -11.392 -9.361 -5.668 1.00 0.00 C ATOM 378 CG LEU A 43 -12.174 -10.299 -6.605 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.505 -10.709 -5.959 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.450 -9.567 -7.924 1.00 0.00 C ATOM 0 H LEU A 43 -10.059 -8.289 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.136 -10.190 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.938 -8.426 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.430 -9.111 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.584 -11.196 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.047 -11.372 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.309 -11.227 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.104 -9.820 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.004 -10.223 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.038 -8.670 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.505 -9.286 -8.389 1.00 0.00 H new ATOM 392 N ASP A 44 -9.171 -11.335 -4.694 1.00 0.00 N ATOM 393 CA ASP A 44 -8.411 -12.562 -4.892 1.00 0.00 C ATOM 394 C ASP A 44 -8.526 -13.459 -3.664 1.00 0.00 C ATOM 395 O ASP A 44 -8.702 -14.672 -3.783 1.00 0.00 O ATOM 396 CB ASP A 44 -6.938 -12.233 -5.151 1.00 0.00 C ATOM 397 CG ASP A 44 -6.772 -11.624 -6.540 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.695 -11.737 -7.329 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.723 -11.055 -6.795 1.00 0.00 O ATOM 0 H ASP A 44 -8.617 -10.479 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.819 -13.087 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.575 -11.537 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.335 -13.137 -5.068 1.00 0.00 H new ATOM 404 N ARG A 45 -8.429 -12.856 -2.485 1.00 0.00 N ATOM 405 CA ARG A 45 -8.527 -13.611 -1.243 1.00 0.00 C ATOM 406 C ARG A 45 -9.937 -14.165 -1.059 1.00 0.00 C ATOM 407 O ARG A 45 -10.143 -15.118 -0.310 1.00 0.00 O ATOM 408 CB ARG A 45 -8.165 -12.711 -0.051 1.00 0.00 C ATOM 409 CG ARG A 45 -8.280 -13.502 1.280 1.00 0.00 C ATOM 410 CD ARG A 45 -9.581 -13.140 2.012 1.00 0.00 C ATOM 411 NE ARG A 45 -9.534 -11.753 2.471 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.949 -11.426 3.619 1.00 0.00 C ATOM 413 NH1 ARG A 45 -8.420 -12.354 4.368 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.913 -10.180 4.002 1.00 0.00 N ATOM 0 H ARG A 45 -8.284 -11.854 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.827 -14.445 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.150 -12.331 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.828 -11.846 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.256 -14.573 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.424 -13.280 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.433 -13.282 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.726 -13.807 2.862 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.958 -11.022 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.455 -13.330 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.971 -12.104 5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.334 -9.455 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.464 -9.930 4.883 1.00 0.00 H new ATOM 617 N VAL B 27 7.367 11.967 0.531 1.00 0.00 N ATOM 618 CA VAL B 27 6.030 11.849 -0.042 1.00 0.00 C ATOM 619 C VAL B 27 6.107 11.346 -1.481 1.00 0.00 C ATOM 620 O VAL B 27 5.356 10.455 -1.877 1.00 0.00 O ATOM 621 CB VAL B 27 5.324 13.207 -0.002 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.986 13.116 -0.743 1.00 0.00 C ATOM 623 CG2 VAL B 27 5.069 13.603 1.457 1.00 0.00 C ATOM 0 HA VAL B 27 5.461 11.130 0.548 1.00 0.00 H new ATOM 0 HB VAL B 27 5.953 13.956 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.487 14.084 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.163 12.832 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.355 12.367 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.566 14.570 1.489 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.440 12.851 1.934 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.019 13.670 1.987 1.00 0.00 H new ATOM 633 N VAL B 28 7.018 11.924 -2.256 1.00 0.00 N ATOM 634 CA VAL B 28 7.182 11.527 -3.651 1.00 0.00 C ATOM 635 C VAL B 28 7.641 10.076 -3.743 1.00 0.00 C ATOM 636 O VAL B 28 7.119 9.299 -4.543 1.00 0.00 O ATOM 637 CB VAL B 28 8.205 12.437 -4.334 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.470 11.940 -5.757 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.657 13.866 -4.387 1.00 0.00 C ATOM 0 H VAL B 28 7.650 12.663 -1.946 1.00 0.00 H new ATOM 0 HA VAL B 28 6.220 11.622 -4.155 1.00 0.00 H new ATOM 0 HB VAL B 28 9.137 12.422 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.199 12.591 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.860 10.923 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.540 11.952 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.384 14.517 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.725 13.877 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.472 14.222 -3.374 1.00 0.00 H new ATOM 649 N ALA B 29 8.620 9.717 -2.918 1.00 0.00 N ATOM 650 CA ALA B 29 9.141 8.356 -2.919 1.00 0.00 C ATOM 651 C ALA B 29 8.066 7.368 -2.485 1.00 0.00 C ATOM 652 O ALA B 29 7.965 6.268 -3.025 1.00 0.00 O ATOM 653 CB ALA B 29 10.340 8.253 -1.972 1.00 0.00 C ATOM 0 H ALA B 29 9.064 10.343 -2.247 1.00 0.00 H new ATOM 0 HA ALA B 29 9.456 8.111 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.723 7.232 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.123 8.936 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA B 29 10.029 8.517 -0.961 1.00 0.00 H new ATOM 659 N ALA B 30 7.263 7.762 -1.503 1.00 0.00 N ATOM 660 CA ALA B 30 6.204 6.893 -1.006 1.00 0.00 C ATOM 661 C ALA B 30 5.269 6.483 -2.140 1.00 0.00 C ATOM 662 O ALA B 30 4.947 5.306 -2.294 1.00 0.00 O ATOM 663 CB ALA B 30 5.403 7.613 0.081 1.00 0.00 C ATOM 0 H ALA B 30 7.324 8.669 -1.039 1.00 0.00 H new ATOM 0 HA ALA B 30 6.663 5.998 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.614 6.956 0.447 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.065 7.878 0.905 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.959 8.518 -0.334 1.00 0.00 H new ATOM 669 N ASN B 31 4.836 7.460 -2.929 1.00 0.00 N ATOM 670 CA ASN B 31 3.940 7.183 -4.044 1.00 0.00 C ATOM 671 C ASN B 31 4.625 6.299 -5.083 1.00 0.00 C ATOM 672 O ASN B 31 4.016 5.376 -5.624 1.00 0.00 O ATOM 673 CB ASN B 31 3.504 8.496 -4.695 1.00 0.00 C ATOM 674 CG ASN B 31 2.561 9.251 -3.764 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.956 8.653 -2.875 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.405 10.538 -3.910 1.00 0.00 N ATOM 0 H ASN B 31 5.088 8.442 -2.819 1.00 0.00 H new ATOM 0 HA ASN B 31 3.066 6.656 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.377 9.109 -4.917 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.007 8.294 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.781 11.050 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN B 31 2.907 11.032 -4.647 1.00 0.00 H new ATOM 683 N ILE B 32 5.894 6.589 -5.359 1.00 0.00 N ATOM 684 CA ILE B 32 6.649 5.814 -6.337 1.00 0.00 C ATOM 685 C ILE B 32 6.821 4.372 -5.862 1.00 0.00 C ATOM 686 O ILE B 32 6.658 3.428 -6.636 1.00 0.00 O ATOM 687 CB ILE B 32 8.023 6.454 -6.562 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.841 7.810 -7.249 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.878 5.546 -7.451 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.164 8.577 -7.229 1.00 0.00 C ATOM 0 H ILE B 32 6.417 7.349 -4.923 1.00 0.00 H new ATOM 0 HA ILE B 32 6.096 5.808 -7.276 1.00 0.00 H new ATOM 0 HB ILE B 32 8.521 6.590 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.508 7.666 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.068 8.386 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.854 6.005 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.006 4.578 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.383 5.407 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.033 9.542 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.478 8.733 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE B 32 9.925 8.003 -7.757 1.00 0.00 H new ATOM 702 N ILE B 33 7.152 4.211 -4.586 1.00 0.00 N ATOM 703 CA ILE B 33 7.343 2.883 -4.015 1.00 0.00 C ATOM 704 C ILE B 33 6.040 2.082 -4.052 1.00 0.00 C ATOM 705 O ILE B 33 6.041 0.900 -4.396 1.00 0.00 O ATOM 706 CB ILE B 33 7.851 3.007 -2.573 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.285 3.548 -2.579 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.825 1.637 -1.892 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.689 3.950 -1.157 1.00 0.00 C ATOM 0 H ILE B 33 7.293 4.979 -3.930 1.00 0.00 H new ATOM 0 HA ILE B 33 8.084 2.351 -4.611 1.00 0.00 H new ATOM 0 HB ILE B 33 7.205 3.692 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.969 2.790 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.357 4.408 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.187 1.733 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.804 1.255 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.465 0.946 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.709 4.334 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.012 4.722 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.633 3.080 -0.503 1.00 0.00 H new ATOM 721 N GLY B 34 4.935 2.725 -3.694 1.00 0.00 N ATOM 722 CA GLY B 34 3.641 2.048 -3.690 1.00 0.00 C ATOM 723 C GLY B 34 3.278 1.563 -5.091 1.00 0.00 C ATOM 724 O GLY B 34 2.823 0.431 -5.271 1.00 0.00 O ATOM 0 H GLY B 34 4.906 3.703 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.671 1.202 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.871 2.728 -3.325 1.00 0.00 H new ATOM 728 N ILE B 35 3.487 2.423 -6.081 1.00 0.00 N ATOM 729 CA ILE B 35 3.185 2.075 -7.464 1.00 0.00 C ATOM 730 C ILE B 35 4.076 0.922 -7.922 1.00 0.00 C ATOM 731 O ILE B 35 3.615 -0.015 -8.580 1.00 0.00 O ATOM 732 CB ILE B 35 3.394 3.297 -8.363 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.343 4.357 -8.020 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.239 2.888 -9.830 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.730 5.694 -8.656 1.00 0.00 C ATOM 0 H ILE B 35 3.863 3.363 -5.953 1.00 0.00 H new ATOM 0 HA ILE B 35 2.144 1.759 -7.533 1.00 0.00 H new ATOM 0 HB ILE B 35 4.394 3.701 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.364 4.042 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.264 4.467 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.388 3.759 -10.468 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.980 2.127 -10.076 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.239 2.486 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.979 6.445 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.700 6.011 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.786 5.579 -9.738 1.00 0.00 H new ATOM 747 N LEU B 36 5.353 0.997 -7.565 1.00 0.00 N ATOM 748 CA LEU B 36 6.301 -0.044 -7.940 1.00 0.00 C ATOM 749 C LEU B 36 5.868 -1.376 -7.344 1.00 0.00 C ATOM 750 O LEU B 36 5.993 -2.423 -7.984 1.00 0.00 O ATOM 751 CB LEU B 36 7.707 0.317 -7.442 1.00 0.00 C ATOM 752 CG LEU B 36 8.720 -0.760 -7.867 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.774 -0.871 -9.401 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.104 -0.377 -7.332 1.00 0.00 C ATOM 0 H LEU B 36 5.753 1.761 -7.021 1.00 0.00 H new ATOM 0 HA LEU B 36 6.322 -0.127 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.005 1.285 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.702 0.412 -6.356 1.00 0.00 H new ATOM 0 HG LEU B 36 8.413 -1.723 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.495 -1.637 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.789 -1.141 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.076 0.087 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.831 -1.134 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.399 0.589 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.069 -0.313 -6.244 1.00 0.00 H new ATOM 766 N HIS B 37 5.353 -1.333 -6.121 1.00 0.00 N ATOM 767 CA HIS B 37 4.903 -2.548 -5.457 1.00 0.00 C ATOM 768 C HIS B 37 3.832 -3.232 -6.295 1.00 0.00 C ATOM 769 O HIS B 37 3.828 -4.455 -6.435 1.00 0.00 O ATOM 770 CB HIS B 37 4.326 -2.215 -4.079 1.00 0.00 C ATOM 771 CG HIS B 37 3.914 -3.494 -3.400 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.485 -3.923 -2.215 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.995 -4.454 -3.736 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.909 -5.096 -1.891 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.995 -5.462 -2.786 1.00 0.00 N ATOM 0 H HIS B 37 5.238 -0.479 -5.575 1.00 0.00 H new ATOM 0 HA HIS B 37 5.757 -3.215 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.068 -1.691 -3.477 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.469 -1.549 -4.180 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.364 -4.428 -4.612 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.159 -5.670 -1.011 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.419 -6.303 -2.775 1.00 0.00 H new ATOM 783 N LEU B 38 2.924 -2.439 -6.851 1.00 0.00 N ATOM 784 CA LEU B 38 1.850 -2.993 -7.671 1.00 0.00 C ATOM 785 C LEU B 38 2.408 -3.736 -8.876 1.00 0.00 C ATOM 786 O LEU B 38 1.893 -4.787 -9.245 1.00 0.00 O ATOM 787 CB LEU B 38 0.900 -1.868 -8.135 1.00 0.00 C ATOM 788 CG LEU B 38 -0.248 -1.683 -7.119 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.831 -0.277 -7.243 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.358 -2.717 -7.387 1.00 0.00 C ATOM 0 H LEU B 38 2.907 -1.424 -6.752 1.00 0.00 H new ATOM 0 HA LEU B 38 1.292 -3.704 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.454 -0.936 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.491 -2.110 -9.116 1.00 0.00 H new ATOM 0 HG LEU B 38 0.147 -1.826 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.640 -0.154 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.052 0.459 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.217 -0.131 -8.252 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.164 -2.580 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.746 -2.581 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.950 -3.723 -7.288 1.00 0.00 H new ATOM 802 N ILE B 39 3.445 -3.192 -9.496 1.00 0.00 N ATOM 803 CA ILE B 39 4.021 -3.844 -10.664 1.00 0.00 C ATOM 804 C ILE B 39 4.570 -5.222 -10.295 1.00 0.00 C ATOM 805 O ILE B 39 4.361 -6.197 -11.017 1.00 0.00 O ATOM 806 CB ILE B 39 5.142 -2.974 -11.242 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.534 -1.692 -11.818 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.869 -3.736 -12.355 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.648 -0.699 -12.157 1.00 0.00 C ATOM 0 H ILE B 39 3.897 -2.321 -9.219 1.00 0.00 H new ATOM 0 HA ILE B 39 3.239 -3.972 -11.413 1.00 0.00 H new ATOM 0 HB ILE B 39 5.853 -2.726 -10.454 1.00 0.00 H new ATOM 0 HG12 ILE B 39 3.955 -1.923 -12.712 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.846 -1.249 -11.098 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.665 -3.113 -12.763 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.297 -4.652 -11.949 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.162 -3.986 -13.147 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.211 0.212 -12.567 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.208 -0.458 -11.254 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.319 -1.142 -12.893 1.00 0.00 H new ATOM 821 N LEU B 40 5.277 -5.298 -9.176 1.00 0.00 N ATOM 822 CA LEU B 40 5.845 -6.566 -8.733 1.00 0.00 C ATOM 823 C LEU B 40 4.756 -7.511 -8.212 1.00 0.00 C ATOM 824 O LEU B 40 4.762 -8.704 -8.516 1.00 0.00 O ATOM 825 CB LEU B 40 6.882 -6.311 -7.642 1.00 0.00 C ATOM 826 CG LEU B 40 7.884 -5.253 -8.128 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.897 -4.963 -7.018 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.619 -5.763 -9.380 1.00 0.00 C ATOM 0 H LEU B 40 5.470 -4.506 -8.563 1.00 0.00 H new ATOM 0 HA LEU B 40 6.324 -7.044 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.391 -5.971 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.403 -7.236 -7.397 1.00 0.00 H new ATOM 0 HG LEU B 40 7.347 -4.338 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.609 -4.212 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.375 -4.591 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.430 -5.879 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.328 -5.007 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.155 -6.681 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.896 -5.962 -10.171 1.00 0.00 H new ATOM 840 N TRP B 41 3.834 -6.974 -7.414 1.00 0.00 N ATOM 841 CA TRP B 41 2.755 -7.780 -6.843 1.00 0.00 C ATOM 842 C TRP B 41 1.784 -8.261 -7.921 1.00 0.00 C ATOM 843 O TRP B 41 1.409 -9.432 -7.945 1.00 0.00 O ATOM 844 CB TRP B 41 2.008 -6.961 -5.781 1.00 0.00 C ATOM 845 CG TRP B 41 0.767 -7.682 -5.342 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.713 -8.641 -4.388 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.598 -7.483 -5.799 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.598 -9.062 -4.255 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.442 -8.373 -5.099 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.180 -6.628 -6.749 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.813 -8.411 -5.333 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.563 -6.660 -6.980 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.376 -7.551 -6.276 1.00 0.00 C ATOM 0 H TRP B 41 3.812 -5.989 -7.149 1.00 0.00 H new ATOM 0 HA TRP B 41 3.196 -8.663 -6.380 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.658 -6.787 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.745 -5.984 -6.185 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.554 -9.016 -3.824 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.903 -9.792 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.559 -5.942 -7.305 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.438 -9.103 -4.787 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.002 -5.992 -7.706 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.440 -7.574 -6.462 1.00 0.00 H new ATOM 864 N ILE B 42 1.369 -7.356 -8.799 1.00 0.00 N ATOM 865 CA ILE B 42 0.428 -7.716 -9.855 1.00 0.00 C ATOM 866 C ILE B 42 1.069 -8.724 -10.806 1.00 0.00 C ATOM 867 O ILE B 42 0.416 -9.654 -11.275 1.00 0.00 O ATOM 868 CB ILE B 42 -0.014 -6.460 -10.626 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.281 -6.768 -11.434 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.095 -5.999 -11.585 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.812 -5.477 -12.059 1.00 0.00 C ATOM 0 H ILE B 42 1.664 -6.380 -8.803 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.452 -8.172 -9.402 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.216 -5.666 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.060 -7.498 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.039 -7.211 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.765 -5.110 -12.122 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.995 -5.766 -11.016 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.313 -6.794 -12.299 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.712 -5.694 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.048 -4.762 -11.271 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.054 -5.054 -12.718 1.00 0.00 H new ATOM 883 N LEU B 43 2.354 -8.525 -11.084 1.00 0.00 N ATOM 884 CA LEU B 43 3.080 -9.418 -11.982 1.00 0.00 C ATOM 885 C LEU B 43 3.111 -10.833 -11.420 1.00 0.00 C ATOM 886 O LEU B 43 2.936 -11.805 -12.156 1.00 0.00 O ATOM 887 CB LEU B 43 4.514 -8.907 -12.177 1.00 0.00 C ATOM 888 CG LEU B 43 5.317 -9.872 -13.064 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.604 -10.078 -14.408 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.710 -9.282 -13.308 1.00 0.00 C ATOM 0 H LEU B 43 2.911 -7.760 -10.704 1.00 0.00 H new ATOM 0 HA LEU B 43 2.567 -9.435 -12.944 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.494 -7.917 -12.633 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.003 -8.802 -11.209 1.00 0.00 H new ATOM 0 HG LEU B 43 5.402 -10.836 -12.562 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.184 -10.764 -15.026 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.613 -10.496 -14.234 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.509 -9.120 -14.920 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.287 -9.960 -13.937 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.614 -8.318 -13.807 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.221 -9.148 -12.354 1.00 0.00 H new ATOM 902 N ASP B 44 3.342 -10.946 -10.117 1.00 0.00 N ATOM 903 CA ASP B 44 3.402 -12.254 -9.475 1.00 0.00 C ATOM 904 C ASP B 44 2.072 -12.981 -9.637 1.00 0.00 C ATOM 905 O ASP B 44 2.041 -14.178 -9.924 1.00 0.00 O ATOM 906 CB ASP B 44 3.722 -12.094 -7.987 1.00 0.00 C ATOM 907 CG ASP B 44 5.177 -11.675 -7.804 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.932 -11.795 -8.755 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.515 -11.240 -6.715 1.00 0.00 O ATOM 0 H ASP B 44 3.490 -10.156 -9.489 1.00 0.00 H new ATOM 0 HA ASP B 44 4.189 -12.840 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.062 -11.348 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.538 -13.033 -7.465 1.00 0.00 H new ATOM 914 N ARG B 45 0.978 -12.252 -9.454 1.00 0.00 N ATOM 915 CA ARG B 45 -0.350 -12.842 -9.586 1.00 0.00 C ATOM 916 C ARG B 45 -0.622 -13.237 -11.034 1.00 0.00 C ATOM 917 O ARG B 45 -1.485 -14.072 -11.306 1.00 0.00 O ATOM 918 CB ARG B 45 -1.417 -11.844 -9.113 1.00 0.00 C ATOM 919 CG ARG B 45 -2.836 -12.456 -9.262 1.00 0.00 C ATOM 920 CD ARG B 45 -3.539 -11.889 -10.504 1.00 0.00 C ATOM 921 NE ARG B 45 -3.824 -10.468 -10.322 1.00 0.00 N ATOM 922 CZ ARG B 45 -4.916 -10.063 -9.680 1.00 0.00 C ATOM 923 NH1 ARG B 45 -5.765 -10.939 -9.216 1.00 0.00 N ATOM 924 NH2 ARG B 45 -5.143 -8.787 -9.520 1.00 0.00 N ATOM 0 H ARG B 45 0.982 -11.260 -9.216 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.392 -13.737 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.237 -11.576 -8.072 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.348 -10.925 -9.695 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.764 -13.541 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.427 -12.240 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.910 -12.031 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -4.466 -12.432 -10.685 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.175 -9.775 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -5.591 -11.936 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.602 -10.627 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.483 -8.102 -9.887 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -5.980 -8.476 -9.028 1.00 0.00 H new ATOM 1127 N VAL C 27 1.022 11.410 8.101 1.00 0.00 N ATOM 1128 CA VAL C 27 1.597 11.313 6.765 1.00 0.00 C ATOM 1129 C VAL C 27 2.958 10.625 6.816 1.00 0.00 C ATOM 1130 O VAL C 27 3.250 9.746 6.006 1.00 0.00 O ATOM 1131 CB VAL C 27 1.743 12.712 6.153 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.498 12.620 4.824 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.355 13.305 5.905 1.00 0.00 C ATOM 0 HA VAL C 27 0.928 10.718 6.143 1.00 0.00 H new ATOM 0 HB VAL C 27 2.299 13.349 6.841 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.599 13.616 4.393 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.488 12.197 4.996 1.00 0.00 H new ATOM 0 HG13 VAL C 27 1.945 11.981 4.135 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.457 14.299 5.470 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -0.197 12.663 5.219 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -0.185 13.376 6.849 1.00 0.00 H new ATOM 1143 N VAL C 28 3.786 11.032 7.774 1.00 0.00 N ATOM 1144 CA VAL C 28 5.115 10.448 7.918 1.00 0.00 C ATOM 1145 C VAL C 28 5.013 8.966 8.271 1.00 0.00 C ATOM 1146 O VAL C 28 5.718 8.134 7.699 1.00 0.00 O ATOM 1147 CB VAL C 28 5.892 11.186 9.010 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.237 10.492 9.248 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.136 12.631 8.569 1.00 0.00 C ATOM 0 H VAL C 28 3.563 11.757 8.456 1.00 0.00 H new ATOM 0 HA VAL C 28 5.642 10.547 6.969 1.00 0.00 H new ATOM 0 HB VAL C 28 5.314 11.176 9.934 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.787 11.021 10.026 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.065 9.462 9.561 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.818 10.498 8.326 1.00 0.00 H new ATOM 0 HG21 VAL C 28 6.689 13.160 9.345 1.00 0.00 H new ATOM 0 HG22 VAL C 28 6.713 12.637 7.644 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.180 13.127 8.403 1.00 0.00 H new ATOM 1159 N ALA C 29 4.134 8.647 9.215 1.00 0.00 N ATOM 1160 CA ALA C 29 3.950 7.263 9.635 1.00 0.00 C ATOM 1161 C ALA C 29 3.413 6.419 8.484 1.00 0.00 C ATOM 1162 O ALA C 29 3.812 5.270 8.308 1.00 0.00 O ATOM 1163 CB ALA C 29 2.976 7.195 10.812 1.00 0.00 C ATOM 0 H ALA C 29 3.542 9.322 9.700 1.00 0.00 H new ATOM 0 HA ALA C 29 4.919 6.869 9.942 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.846 6.157 11.117 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.374 7.772 11.647 1.00 0.00 H new ATOM 0 HB3 ALA C 29 2.013 7.608 10.512 1.00 0.00 H new ATOM 1169 N ALA C 30 2.504 6.994 7.706 1.00 0.00 N ATOM 1170 CA ALA C 30 1.919 6.274 6.581 1.00 0.00 C ATOM 1171 C ALA C 30 3.006 5.791 5.628 1.00 0.00 C ATOM 1172 O ALA C 30 3.014 4.629 5.220 1.00 0.00 O ATOM 1173 CB ALA C 30 0.946 7.185 5.829 1.00 0.00 C ATOM 0 H ALA C 30 2.159 7.946 7.831 1.00 0.00 H new ATOM 0 HA ALA C 30 1.382 5.408 6.968 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.513 6.641 4.990 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.152 7.504 6.503 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.480 8.060 5.457 1.00 0.00 H new ATOM 1179 N ASN C 31 3.922 6.686 5.276 1.00 0.00 N ATOM 1180 CA ASN C 31 5.007 6.335 4.368 1.00 0.00 C ATOM 1181 C ASN C 31 5.913 5.276 4.995 1.00 0.00 C ATOM 1182 O ASN C 31 6.342 4.338 4.324 1.00 0.00 O ATOM 1183 CB ASN C 31 5.826 7.581 4.035 1.00 0.00 C ATOM 1184 CG ASN C 31 5.014 8.515 3.144 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.064 8.082 2.492 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.326 9.781 3.085 1.00 0.00 N ATOM 0 H ASN C 31 3.936 7.652 5.602 1.00 0.00 H new ATOM 0 HA ASN C 31 4.576 5.927 3.454 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.110 8.096 4.953 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.749 7.296 3.531 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.782 10.413 2.498 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.114 10.138 3.626 1.00 0.00 H new ATOM 1193 N ILE C 32 6.202 5.436 6.284 1.00 0.00 N ATOM 1194 CA ILE C 32 7.060 4.489 6.988 1.00 0.00 C ATOM 1195 C ILE C 32 6.402 3.111 7.049 1.00 0.00 C ATOM 1196 O ILE C 32 7.051 2.090 6.822 1.00 0.00 O ATOM 1197 CB ILE C 32 7.342 4.995 8.405 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.200 6.261 8.329 1.00 0.00 C ATOM 1199 CG2 ILE C 32 8.096 3.922 9.200 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.255 6.928 9.705 1.00 0.00 C ATOM 0 H ILE C 32 5.858 6.206 6.858 1.00 0.00 H new ATOM 0 HA ILE C 32 8.000 4.401 6.444 1.00 0.00 H new ATOM 0 HB ILE C 32 6.398 5.216 8.902 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.207 6.010 7.995 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.783 6.951 7.596 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.294 4.288 10.208 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.491 3.017 9.255 1.00 0.00 H new ATOM 0 HG23 ILE C 32 9.040 3.697 8.704 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.866 7.829 9.649 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.246 7.193 10.021 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.692 6.238 10.427 1.00 0.00 H new ATOM 1212 N ILE C 33 5.110 3.092 7.357 1.00 0.00 N ATOM 1213 CA ILE C 33 4.371 1.838 7.447 1.00 0.00 C ATOM 1214 C ILE C 33 4.328 1.135 6.090 1.00 0.00 C ATOM 1215 O ILE C 33 4.517 -0.079 6.007 1.00 0.00 O ATOM 1216 CB ILE C 33 2.947 2.109 7.950 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.997 2.542 9.421 1.00 0.00 C ATOM 1218 CG2 ILE C 33 2.094 0.844 7.820 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.633 3.096 9.839 1.00 0.00 C ATOM 0 H ILE C 33 4.555 3.926 7.548 1.00 0.00 H new ATOM 0 HA ILE C 33 4.882 1.183 8.153 1.00 0.00 H new ATOM 0 HB ILE C 33 2.503 2.902 7.349 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.265 1.694 10.051 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.767 3.300 9.562 1.00 0.00 H new ATOM 0 HG21 ILE C 33 1.085 1.047 8.180 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.052 0.539 6.774 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.537 0.044 8.413 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.670 3.403 10.884 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.383 3.955 9.217 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.873 2.325 9.714 1.00 0.00 H new ATOM 1231 N GLY C 34 4.074 1.897 5.032 1.00 0.00 N ATOM 1232 CA GLY C 34 4.007 1.318 3.692 1.00 0.00 C ATOM 1233 C GLY C 34 5.340 0.685 3.304 1.00 0.00 C ATOM 1234 O GLY C 34 5.382 -0.425 2.768 1.00 0.00 O ATOM 0 H GLY C 34 3.913 2.903 5.072 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.219 0.566 3.656 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.743 2.091 2.970 1.00 0.00 H new ATOM 1238 N ILE C 35 6.427 1.394 3.582 1.00 0.00 N ATOM 1239 CA ILE C 35 7.760 0.895 3.266 1.00 0.00 C ATOM 1240 C ILE C 35 8.053 -0.368 4.073 1.00 0.00 C ATOM 1241 O ILE C 35 8.593 -1.347 3.549 1.00 0.00 O ATOM 1242 CB ILE C 35 8.801 1.973 3.572 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.611 3.141 2.601 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.209 1.395 3.398 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.400 4.357 3.092 1.00 0.00 C ATOM 0 H ILE C 35 6.412 2.313 4.024 1.00 0.00 H new ATOM 0 HA ILE C 35 7.807 0.648 2.205 1.00 0.00 H new ATOM 0 HB ILE C 35 8.677 2.318 4.598 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.948 2.856 1.604 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.553 3.391 2.521 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.948 2.166 3.617 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.345 0.557 4.081 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.337 1.051 2.372 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.261 5.185 2.397 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.043 4.648 4.080 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.459 4.105 3.149 1.00 0.00 H new ATOM 1257 N LEU C 36 7.688 -0.340 5.350 1.00 0.00 N ATOM 1258 CA LEU C 36 7.911 -1.485 6.221 1.00 0.00 C ATOM 1259 C LEU C 36 7.158 -2.696 5.687 1.00 0.00 C ATOM 1260 O LEU C 36 7.654 -3.821 5.741 1.00 0.00 O ATOM 1261 CB LEU C 36 7.441 -1.165 7.646 1.00 0.00 C ATOM 1262 CG LEU C 36 7.708 -2.357 8.582 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.215 -2.668 8.636 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.203 -2.009 9.987 1.00 0.00 C ATOM 0 H LEU C 36 7.240 0.457 5.801 1.00 0.00 H new ATOM 0 HA LEU C 36 8.978 -1.708 6.244 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.960 -0.281 8.016 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.376 -0.931 7.640 1.00 0.00 H new ATOM 0 HG LEU C 36 7.185 -3.236 8.205 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.388 -3.513 9.302 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.572 -2.915 7.636 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.753 -1.796 9.008 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.388 -2.848 10.658 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.729 -1.128 10.355 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.133 -1.804 9.949 1.00 0.00 H new ATOM 1276 N HIS C 37 5.958 -2.457 5.167 1.00 0.00 N ATOM 1277 CA HIS C 37 5.151 -3.540 4.623 1.00 0.00 C ATOM 1278 C HIS C 37 5.913 -4.249 3.511 1.00 0.00 C ATOM 1279 O HIS C 37 5.891 -5.476 3.419 1.00 0.00 O ATOM 1280 CB HIS C 37 3.840 -2.991 4.060 1.00 0.00 C ATOM 1281 CG HIS C 37 3.009 -4.141 3.555 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.778 -4.463 4.097 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.234 -5.065 2.566 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.316 -5.541 3.438 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.165 -5.948 2.494 1.00 0.00 N ATOM 0 H HIS C 37 5.528 -1.534 5.112 1.00 0.00 H new ATOM 0 HA HIS C 37 4.933 -4.245 5.425 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.298 -2.444 4.831 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.041 -2.288 3.252 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.112 -5.100 1.937 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.371 -6.019 3.648 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.053 -6.737 1.857 1.00 0.00 H new ATOM 1293 N LEU C 38 6.583 -3.472 2.669 1.00 0.00 N ATOM 1294 CA LEU C 38 7.342 -4.048 1.564 1.00 0.00 C ATOM 1295 C LEU C 38 8.434 -4.978 2.075 1.00 0.00 C ATOM 1296 O LEU C 38 8.674 -6.027 1.487 1.00 0.00 O ATOM 1297 CB LEU C 38 7.964 -2.926 0.703 1.00 0.00 C ATOM 1298 CG LEU C 38 7.001 -2.529 -0.435 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.309 -1.108 -0.903 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.159 -3.498 -1.619 1.00 0.00 C ATOM 0 H LEU C 38 6.617 -2.454 2.727 1.00 0.00 H new ATOM 0 HA LEU C 38 6.656 -4.632 0.951 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.180 -2.058 1.326 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.913 -3.262 0.285 1.00 0.00 H new ATOM 0 HG LEU C 38 5.978 -2.576 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.626 -0.833 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.186 -0.416 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.335 -1.059 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.476 -3.211 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.184 -3.459 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.929 -4.512 -1.292 1.00 0.00 H new ATOM 1312 N ILE C 39 9.100 -4.594 3.152 1.00 0.00 N ATOM 1313 CA ILE C 39 10.167 -5.429 3.688 1.00 0.00 C ATOM 1314 C ILE C 39 9.616 -6.783 4.132 1.00 0.00 C ATOM 1315 O ILE C 39 10.212 -7.825 3.857 1.00 0.00 O ATOM 1316 CB ILE C 39 10.833 -4.721 4.875 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.575 -3.485 4.367 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.827 -5.670 5.551 1.00 0.00 C ATOM 1319 CD1 ILE C 39 12.020 -2.626 5.553 1.00 0.00 C ATOM 0 H ILE C 39 8.928 -3.729 3.664 1.00 0.00 H new ATOM 0 HA ILE C 39 10.907 -5.596 2.905 1.00 0.00 H new ATOM 0 HB ILE C 39 10.072 -4.425 5.597 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.442 -3.786 3.778 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.928 -2.906 3.709 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.298 -5.164 6.394 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.300 -6.555 5.908 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.591 -5.968 4.833 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.549 -1.746 5.187 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.146 -2.313 6.124 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.683 -3.207 6.194 1.00 0.00 H new ATOM 1331 N LEU C 40 8.486 -6.766 4.824 1.00 0.00 N ATOM 1332 CA LEU C 40 7.876 -8.006 5.292 1.00 0.00 C ATOM 1333 C LEU C 40 7.257 -8.795 4.135 1.00 0.00 C ATOM 1334 O LEU C 40 7.405 -10.014 4.056 1.00 0.00 O ATOM 1335 CB LEU C 40 6.807 -7.685 6.338 1.00 0.00 C ATOM 1336 CG LEU C 40 7.408 -6.776 7.418 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.328 -6.419 8.442 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.573 -7.492 8.123 1.00 0.00 C ATOM 0 H LEU C 40 7.976 -5.918 5.073 1.00 0.00 H new ATOM 0 HA LEU C 40 8.655 -8.625 5.738 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.956 -7.194 5.866 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.434 -8.605 6.788 1.00 0.00 H new ATOM 0 HG LEU C 40 7.783 -5.866 6.951 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.754 -5.773 9.210 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.511 -5.899 7.943 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.949 -7.331 8.904 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.993 -6.838 8.888 1.00 0.00 H new ATOM 0 HD22 LEU C 40 8.209 -8.408 8.589 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.344 -7.738 7.393 1.00 0.00 H new ATOM 1350 N TRP C 41 6.551 -8.093 3.248 1.00 0.00 N ATOM 1351 CA TRP C 41 5.902 -8.740 2.109 1.00 0.00 C ATOM 1352 C TRP C 41 6.924 -9.284 1.112 1.00 0.00 C ATOM 1353 O TRP C 41 6.806 -10.418 0.652 1.00 0.00 O ATOM 1354 CB TRP C 41 4.962 -7.744 1.416 1.00 0.00 C ATOM 1355 CG TRP C 41 4.455 -8.310 0.124 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.388 -9.133 -0.009 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.955 -8.075 -1.222 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.224 -9.438 -1.348 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.160 -8.803 -2.134 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.017 -7.306 -1.732 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.410 -8.769 -3.503 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.263 -7.268 -3.113 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.462 -7.998 -3.993 1.00 0.00 C ATOM 0 H TRP C 41 6.415 -7.083 3.296 1.00 0.00 H new ATOM 0 HA TRP C 41 5.326 -9.586 2.483 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.123 -7.511 2.071 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.489 -6.809 1.228 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.767 -9.492 0.798 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.499 -10.057 -1.709 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.645 -6.743 -1.058 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.792 -9.337 -4.182 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.077 -6.671 -3.497 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.658 -7.965 -5.055 1.00 0.00 H new ATOM 1374 N ILE C 42 7.917 -8.470 0.770 1.00 0.00 N ATOM 1375 CA ILE C 42 8.932 -8.896 -0.186 1.00 0.00 C ATOM 1376 C ILE C 42 9.736 -10.061 0.386 1.00 0.00 C ATOM 1377 O ILE C 42 10.093 -10.995 -0.330 1.00 0.00 O ATOM 1378 CB ILE C 42 9.865 -7.721 -0.529 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.648 -8.039 -1.809 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.855 -7.469 0.618 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.441 -6.804 -2.239 1.00 0.00 C ATOM 0 H ILE C 42 8.040 -7.525 1.134 1.00 0.00 H new ATOM 0 HA ILE C 42 8.438 -9.227 -1.100 1.00 0.00 H new ATOM 0 HB ILE C 42 9.258 -6.828 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.324 -8.877 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.963 -8.340 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.507 -6.635 0.359 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.304 -7.230 1.528 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.457 -8.363 0.782 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.998 -7.028 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.755 -5.979 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.136 -6.524 -1.447 1.00 0.00 H new ATOM 1393 N LEU C 43 10.015 -9.994 1.684 1.00 0.00 N ATOM 1394 CA LEU C 43 10.778 -11.043 2.350 1.00 0.00 C ATOM 1395 C LEU C 43 10.041 -12.374 2.273 1.00 0.00 C ATOM 1396 O LEU C 43 10.648 -13.417 2.033 1.00 0.00 O ATOM 1397 CB LEU C 43 11.014 -10.665 3.820 1.00 0.00 C ATOM 1398 CG LEU C 43 11.757 -11.792 4.556 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.077 -12.119 3.839 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.052 -11.340 5.990 1.00 0.00 C ATOM 0 H LEU C 43 9.726 -9.228 2.293 1.00 0.00 H new ATOM 0 HA LEU C 43 11.738 -11.146 1.844 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.593 -9.743 3.876 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.059 -10.471 4.309 1.00 0.00 H new ATOM 0 HG LEU C 43 11.134 -12.686 4.566 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.592 -12.919 4.372 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.867 -12.439 2.818 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.709 -11.231 3.818 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.579 -12.133 6.520 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.672 -10.444 5.969 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.115 -11.121 6.503 1.00 0.00 H new ATOM 1412 N ASP C 44 8.730 -12.335 2.485 1.00 0.00 N ATOM 1413 CA ASP C 44 7.927 -13.551 2.444 1.00 0.00 C ATOM 1414 C ASP C 44 8.017 -14.197 1.065 1.00 0.00 C ATOM 1415 O ASP C 44 8.153 -15.414 0.947 1.00 0.00 O ATOM 1416 CB ASP C 44 6.465 -13.225 2.758 1.00 0.00 C ATOM 1417 CG ASP C 44 6.310 -12.886 4.236 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.220 -13.184 4.993 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.282 -12.334 4.591 1.00 0.00 O ATOM 0 H ASP C 44 8.205 -11.484 2.685 1.00 0.00 H new ATOM 0 HA ASP C 44 8.312 -14.246 3.191 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.132 -12.386 2.147 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.832 -14.075 2.503 1.00 0.00 H new ATOM 1424 N ARG C 45 7.945 -13.373 0.026 1.00 0.00 N ATOM 1425 CA ARG C 45 8.024 -13.878 -1.338 1.00 0.00 C ATOM 1426 C ARG C 45 9.415 -14.434 -1.630 1.00 0.00 C ATOM 1427 O ARG C 45 9.591 -15.232 -2.551 1.00 0.00 O ATOM 1428 CB ARG C 45 7.699 -12.753 -2.335 1.00 0.00 C ATOM 1429 CG ARG C 45 7.792 -13.275 -3.794 1.00 0.00 C ATOM 1430 CD ARG C 45 9.109 -12.823 -4.444 1.00 0.00 C ATOM 1431 NE ARG C 45 9.113 -11.374 -4.625 1.00 0.00 N ATOM 1432 CZ ARG C 45 8.545 -10.812 -5.689 1.00 0.00 C ATOM 1433 NH1 ARG C 45 7.988 -11.557 -6.602 1.00 0.00 N ATOM 1434 NH2 ARG C 45 8.553 -9.513 -5.822 1.00 0.00 N ATOM 0 H ARG C 45 7.833 -12.362 0.101 1.00 0.00 H new ATOM 0 HA ARG C 45 7.296 -14.682 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.697 -12.368 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.392 -11.923 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG C 45 7.730 -14.363 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.947 -12.904 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG C 45 9.952 -13.121 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG C 45 9.236 -13.317 -5.407 1.00 0.00 H new ATOM 0 HE ARG C 45 9.559 -10.783 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG C 45 7.987 -12.572 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG C 45 7.553 -11.125 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG C 45 8.994 -8.930 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG C 45 8.118 -9.081 -6.637 1.00 0.00 H new ATOM 1637 N VAL D 27 -7.087 12.055 1.973 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.755 11.789 2.502 1.00 0.00 C ATOM 1639 C VAL D 27 -5.845 11.016 3.815 1.00 0.00 C ATOM 1640 O VAL D 27 -5.120 10.044 4.025 1.00 0.00 O ATOM 1641 CB VAL D 27 -5.006 13.107 2.722 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.672 12.834 3.422 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.740 13.770 1.367 1.00 0.00 C ATOM 0 HA VAL D 27 -5.209 11.184 1.779 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.611 13.767 3.344 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -3.143 13.774 3.576 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.857 12.359 4.386 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -3.065 12.173 2.803 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -4.207 14.708 1.520 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -4.136 13.106 0.749 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.688 13.968 0.867 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.736 11.457 4.696 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.909 10.801 5.988 1.00 0.00 C ATOM 1655 C VAL D 28 -7.410 9.374 5.798 1.00 0.00 C ATOM 1656 O VAL D 28 -6.911 8.441 6.427 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.904 11.590 6.844 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.180 10.831 8.144 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.313 12.964 7.169 1.00 0.00 C ATOM 0 H VAL D 28 -7.346 12.260 4.542 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.944 10.769 6.494 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.838 11.714 6.295 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.888 11.395 8.751 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.600 9.852 7.912 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.249 10.705 8.696 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.019 13.529 7.778 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.380 12.838 7.718 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -7.119 13.505 6.243 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.402 9.210 4.927 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.963 7.891 4.665 1.00 0.00 C ATOM 1671 C ALA D 29 -7.919 6.976 4.038 1.00 0.00 C ATOM 1672 O ALA D 29 -7.850 5.791 4.353 1.00 0.00 O ATOM 1673 CB ALA D 29 -10.165 8.009 3.723 1.00 0.00 C ATOM 0 H ALA D 29 -8.830 9.968 4.395 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.283 7.463 5.615 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.577 7.018 3.533 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.928 8.637 4.183 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.847 8.456 2.781 1.00 0.00 H new ATOM 1679 N ALA D 30 -7.106 7.532 3.147 1.00 0.00 N ATOM 1680 CA ALA D 30 -6.074 6.747 2.481 1.00 0.00 C ATOM 1681 C ALA D 30 -5.149 6.096 3.505 1.00 0.00 C ATOM 1682 O ALA D 30 -4.862 4.903 3.424 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.255 7.644 1.550 1.00 0.00 C ATOM 0 H ALA D 30 -7.140 8.513 2.871 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.560 5.964 1.898 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.486 7.050 1.056 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.911 8.085 0.799 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.784 8.437 2.131 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.687 6.887 4.467 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.796 6.372 5.499 1.00 0.00 C ATOM 1691 C ASN D 31 -4.506 5.322 6.352 1.00 0.00 C ATOM 1692 O ASN D 31 -3.923 4.294 6.697 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.319 7.520 6.389 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.357 8.414 5.611 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.772 7.981 4.619 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.165 9.643 6.001 1.00 0.00 N ATOM 0 H ASN D 31 -4.912 7.878 4.554 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.939 5.904 5.014 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.173 8.103 6.734 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.824 7.123 7.276 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.528 10.249 5.483 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.652 9.999 6.824 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.765 5.589 6.688 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.541 4.660 7.502 1.00 0.00 C ATOM 1705 C ILE D 32 -6.756 3.344 6.755 1.00 0.00 C ATOM 1706 O ILE D 32 -6.618 2.263 7.329 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.895 5.284 7.857 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.671 6.473 8.796 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.774 4.246 8.562 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -8.970 7.268 8.935 1.00 0.00 C ATOM 0 H ILE D 32 -6.266 6.434 6.412 1.00 0.00 H new ATOM 0 HA ILE D 32 -5.988 4.454 8.418 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.389 5.618 6.945 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.342 6.121 9.774 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.880 7.114 8.406 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.736 4.694 8.813 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.932 3.394 7.901 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.281 3.911 9.475 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.809 8.114 9.603 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.280 7.633 7.956 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.748 6.624 9.345 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.094 3.445 5.474 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.327 2.260 4.656 1.00 0.00 C ATOM 1724 C ILE D 33 -6.047 1.430 4.527 1.00 0.00 C ATOM 1725 O ILE D 33 -6.084 0.205 4.633 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.830 2.677 3.268 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.248 3.249 3.388 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.847 1.466 2.333 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.636 3.936 2.076 1.00 0.00 C ATOM 0 H ILE D 33 -7.212 4.330 4.982 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.085 1.645 5.142 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.162 3.435 2.859 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.955 2.451 3.616 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.295 3.962 4.211 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.205 1.771 1.350 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.839 1.062 2.243 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.509 0.702 2.740 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.644 4.342 2.162 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.935 4.745 1.868 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.605 3.211 1.263 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.924 2.100 4.295 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.650 1.398 4.150 1.00 0.00 C ATOM 1743 C GLY D 34 -3.298 0.640 5.426 1.00 0.00 C ATOM 1744 O GLY D 34 -2.878 -0.519 5.378 1.00 0.00 O ATOM 0 H GLY D 34 -4.867 3.114 4.204 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.707 0.702 3.313 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.861 2.113 3.917 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.481 1.296 6.565 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.185 0.676 7.853 1.00 0.00 C ATOM 1750 C ILE D 35 -4.108 -0.519 8.084 1.00 0.00 C ATOM 1751 O ILE D 35 -3.674 -1.579 8.541 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.356 1.704 8.974 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.274 2.781 8.835 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.211 1.013 10.331 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.617 3.978 9.723 1.00 0.00 C ATOM 0 H ILE D 35 -3.831 2.252 6.625 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.154 0.323 7.852 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.344 2.160 8.905 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.304 2.373 9.118 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.196 3.099 7.795 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.333 1.747 11.128 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -3.974 0.240 10.429 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.223 0.559 10.404 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.845 4.740 9.620 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.578 4.392 9.420 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.673 3.656 10.763 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.384 -0.338 7.758 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.362 -1.405 7.929 1.00 0.00 C ATOM 1769 C LEU D 36 -5.970 -2.608 7.081 1.00 0.00 C ATOM 1770 O LEU D 36 -6.125 -3.754 7.505 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.758 -0.914 7.524 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.802 -2.021 7.738 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.855 -2.430 9.223 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.176 -1.504 7.299 1.00 0.00 C ATOM 0 H LEU D 36 -5.762 0.530 7.377 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.383 -1.698 8.979 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.025 -0.036 8.111 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.753 -0.608 6.478 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.525 -2.893 7.146 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.599 -3.215 9.358 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -7.878 -2.799 9.534 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.126 -1.565 9.829 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.923 -2.284 7.448 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.442 -0.629 7.892 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.142 -1.231 6.244 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.456 -2.340 5.886 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.041 -3.414 4.995 1.00 0.00 C ATOM 1788 C HIS D 37 -3.991 -4.279 5.675 1.00 0.00 C ATOM 1789 O HIS D 37 -4.023 -5.505 5.573 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.457 -2.836 3.704 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.082 -3.967 2.786 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.664 -4.140 1.542 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.193 -5.002 2.923 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.125 -5.243 0.992 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.223 -5.804 1.792 1.00 0.00 N ATOM 0 H HIS D 37 -5.318 -1.400 5.516 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.914 -4.021 4.756 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.185 -2.184 3.220 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.582 -2.226 3.927 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.563 -5.168 3.784 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.392 -5.627 0.018 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.672 -6.643 1.612 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.059 -3.637 6.369 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.001 -4.370 7.056 1.00 0.00 C ATOM 1805 C LEU D 38 -2.579 -5.317 8.098 1.00 0.00 C ATOM 1806 O LEU D 38 -2.094 -6.435 8.250 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.017 -3.385 7.723 1.00 0.00 C ATOM 1808 CG LEU D 38 0.134 -3.040 6.755 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.763 -1.700 7.145 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.214 -4.138 6.808 1.00 0.00 C ATOM 0 H LEU D 38 -3.013 -2.623 6.471 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.465 -4.964 6.316 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.543 -2.475 8.012 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.614 -3.825 8.636 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.269 -2.973 5.745 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.574 -1.465 6.456 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.008 -0.916 7.097 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.156 -1.764 8.160 1.00 0.00 H new ATOM 0 HD21 LEU D 38 2.023 -3.886 6.122 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.608 -4.212 7.822 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.776 -5.093 6.518 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.597 -4.876 8.819 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.191 -5.727 9.844 1.00 0.00 C ATOM 1824 C ILE D 39 -4.781 -6.990 9.216 1.00 0.00 C ATOM 1825 O ILE D 39 -4.599 -8.093 9.732 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.284 -4.955 10.587 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.638 -3.827 11.397 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.030 -5.898 11.536 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.721 -2.890 11.932 1.00 0.00 C ATOM 0 H ILE D 39 -4.024 -3.955 8.720 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.413 -6.021 10.549 1.00 0.00 H new ATOM 0 HB ILE D 39 -5.989 -4.539 9.867 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.063 -4.244 12.224 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -3.940 -3.271 10.771 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.807 -5.344 12.063 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.485 -6.706 10.963 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.329 -6.316 12.259 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.257 -2.089 12.508 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.277 -2.462 11.098 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.402 -3.450 12.573 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.492 -6.826 8.109 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.097 -7.967 7.431 1.00 0.00 C ATOM 1843 C LEU D 40 -5.040 -8.822 6.728 1.00 0.00 C ATOM 1844 O LEU D 40 -5.080 -10.052 6.793 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.129 -7.474 6.419 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.099 -6.504 7.111 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.105 -5.973 6.087 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.846 -7.226 8.245 1.00 0.00 C ATOM 0 H LEU D 40 -5.664 -5.924 7.664 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.587 -8.590 8.180 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.630 -6.976 5.588 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.678 -8.318 6.002 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.534 -5.672 7.533 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.794 -5.285 6.577 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.573 -5.450 5.292 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.665 -6.806 5.662 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.531 -6.531 8.730 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.410 -8.064 7.834 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.127 -7.596 8.976 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.105 -8.166 6.042 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.051 -8.876 5.317 1.00 0.00 C ATOM 1862 C TRP D 41 -2.092 -9.585 6.273 1.00 0.00 C ATOM 1863 O TRP D 41 -1.753 -10.750 6.064 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.282 -7.887 4.429 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.067 -8.544 3.851 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.041 -9.300 2.728 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.306 -8.480 4.328 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.256 -9.728 2.508 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.122 -9.241 3.463 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.916 -7.841 5.423 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.490 -9.365 3.678 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.297 -7.961 5.634 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.080 -8.722 4.764 1.00 0.00 C ATOM 0 H TRP D 41 -4.055 -7.150 5.973 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.519 -9.639 4.695 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.928 -7.531 3.626 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.989 -7.015 5.013 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.893 -9.531 2.106 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.537 -10.330 1.734 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.317 -7.255 6.105 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.093 -9.957 3.006 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.757 -7.462 6.474 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.143 -8.812 4.933 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.647 -8.882 7.307 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.715 -9.469 8.265 1.00 0.00 C ATOM 1886 C ILE D 42 -1.385 -10.623 9.006 1.00 0.00 C ATOM 1887 O ILE D 42 -0.758 -11.647 9.279 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.235 -8.400 9.263 1.00 0.00 C ATOM 1889 CG1 ILE D 42 1.024 -8.897 9.986 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.329 -8.105 10.302 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.594 -7.769 10.847 1.00 0.00 C ATOM 0 H ILE D 42 -1.911 -7.917 7.504 1.00 0.00 H new ATOM 0 HA ILE D 42 0.150 -9.854 7.725 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.011 -7.487 8.712 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.783 -9.758 10.609 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.767 -9.227 9.260 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -0.973 -7.347 11.000 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.223 -7.741 9.796 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.568 -9.018 10.848 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.488 -8.120 11.361 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.850 -6.921 10.212 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.850 -7.461 11.582 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.662 -10.447 9.328 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.412 -11.476 10.038 1.00 0.00 C ATOM 1905 C LEU D 43 -3.488 -12.754 9.212 1.00 0.00 C ATOM 1906 O LEU D 43 -3.339 -13.855 9.742 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.830 -10.972 10.342 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.660 -12.069 11.029 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -4.950 -12.555 12.303 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.033 -11.497 11.396 1.00 0.00 C ATOM 0 H LEU D 43 -3.197 -9.606 9.110 1.00 0.00 H new ATOM 0 HA LEU D 43 -2.896 -11.696 10.973 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.779 -10.092 10.983 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.318 -10.665 9.417 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.775 -12.913 10.349 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.549 -13.331 12.779 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -3.972 -12.959 12.043 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -4.826 -11.719 12.992 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.630 -12.268 11.884 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -6.906 -10.653 12.074 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.542 -11.163 10.492 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.724 -12.603 7.914 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.822 -13.758 7.032 1.00 0.00 C ATOM 1924 C ASP D 44 -2.515 -14.541 7.036 1.00 0.00 C ATOM 1925 O ASP D 44 -2.517 -15.771 7.086 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.141 -13.302 5.604 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.584 -12.813 5.519 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.341 -13.096 6.434 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.912 -12.165 4.539 1.00 0.00 O ATOM 0 H ASP D 44 -3.850 -11.702 7.453 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.623 -14.402 7.394 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.460 -12.504 5.308 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.987 -14.126 4.908 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.400 -13.823 6.991 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.091 -14.464 6.994 1.00 0.00 C ATOM 1936 C ARG D 45 0.173 -15.143 8.336 1.00 0.00 C ATOM 1937 O ARG D 45 1.012 -16.036 8.432 1.00 0.00 O ATOM 1938 CB ARG D 45 1.005 -13.423 6.718 1.00 0.00 C ATOM 1939 CG ARG D 45 2.405 -14.093 6.734 1.00 0.00 C ATOM 1940 CD ARG D 45 3.127 -13.800 8.059 1.00 0.00 C ATOM 1941 NE ARG D 45 3.454 -12.379 8.154 1.00 0.00 N ATOM 1942 CZ ARG D 45 4.557 -11.888 7.597 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.382 -12.682 6.970 1.00 0.00 N ATOM 1944 NH2 ARG D 45 4.821 -10.612 7.686 1.00 0.00 N ATOM 0 H ARG D 45 -1.375 -12.804 6.952 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.078 -15.221 6.210 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.832 -12.951 5.751 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.964 -12.634 7.469 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.301 -15.170 6.600 1.00 0.00 H new ATOM 0 HG3 ARG D 45 3.001 -13.724 5.899 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.495 -14.092 8.898 1.00 0.00 H new ATOM 0 HD3 ARG D 45 4.038 -14.395 8.124 1.00 0.00 H new ATOM 0 HE ARG D 45 2.825 -11.753 8.656 1.00 0.00 H new ATOM 0 HH11 ARG D 45 5.181 -13.680 6.907 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.228 -12.304 6.543 1.00 0.00 H new ATOM 0 HH21 ARG D 45 4.181 -9.992 8.183 1.00 0.00 H new ATOM 0 HH22 ARG D 45 5.667 -10.235 7.259 1.00 0.00 H new