USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 576 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= -3.4! C(o=-3.4!,f=-9.8!) USER MOD Single : A 37 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -3.54! C(o=-3.5!,f=-9.6!) USER MOD Single : B 37 HIS : no HD1:sc= -9.58! C(o=-9.6!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -3.44! C(o=-3.4!,f=-10!) USER MOD Single : C 37 HIS : no HD1:sc= -9.11! C(o=-9.1!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -3.37! C(o=-3.4!,f=-9.7!) USER MOD Single : D 37 HIS : no HD1:sc= -9.77! C(o=-9.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.507 12.458 1.386 1.00 0.00 N ATOM 124 CA VAL A 28 -6.305 12.027 2.527 1.00 0.00 C ATOM 125 C VAL A 28 -6.950 10.672 2.242 1.00 0.00 C ATOM 126 O VAL A 28 -6.939 9.779 3.088 1.00 0.00 O ATOM 127 CB VAL A 28 -7.390 13.063 2.827 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.303 12.547 3.941 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.732 14.370 3.273 1.00 0.00 C ATOM 0 HA VAL A 28 -5.651 11.931 3.393 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.982 13.238 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.074 13.288 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.772 11.615 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.714 12.370 4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.502 15.111 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.140 14.192 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.084 14.741 2.479 1.00 0.00 H new ATOM 139 N ALA A 29 -7.515 10.529 1.048 1.00 0.00 N ATOM 140 CA ALA A 29 -8.161 9.279 0.668 1.00 0.00 C ATOM 141 C ALA A 29 -7.149 8.141 0.642 1.00 0.00 C ATOM 142 O ALA A 29 -7.452 7.022 1.053 1.00 0.00 O ATOM 143 CB ALA A 29 -8.804 9.421 -0.714 1.00 0.00 C ATOM 0 H ALA A 29 -7.539 11.256 0.333 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.931 9.052 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.284 8.482 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.549 10.216 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.037 9.666 -1.449 1.00 0.00 H new ATOM 149 N ALA A 30 -5.946 8.427 0.159 1.00 0.00 N ATOM 150 CA ALA A 30 -4.907 7.408 0.088 1.00 0.00 C ATOM 151 C ALA A 30 -4.591 6.862 1.476 1.00 0.00 C ATOM 152 O ALA A 30 -4.451 5.653 1.661 1.00 0.00 O ATOM 153 CB ALA A 30 -3.638 7.999 -0.531 1.00 0.00 C ATOM 0 H ALA A 30 -5.668 9.346 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.270 6.591 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.866 7.231 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.857 8.359 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.286 8.828 0.083 1.00 0.00 H new ATOM 159 N ASN A 31 -4.480 7.758 2.452 1.00 0.00 N ATOM 160 CA ASN A 31 -4.180 7.350 3.818 1.00 0.00 C ATOM 161 C ASN A 31 -5.314 6.505 4.393 1.00 0.00 C ATOM 162 O ASN A 31 -5.074 5.491 5.047 1.00 0.00 O ATOM 163 CB ASN A 31 -3.968 8.586 4.696 1.00 0.00 C ATOM 164 CG ASN A 31 -3.705 8.161 6.138 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.763 6.974 6.457 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.421 9.067 7.032 1.00 0.00 N ATOM 0 H ASN A 31 -4.592 8.764 2.323 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.270 6.750 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.127 9.169 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.847 9.229 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.246 8.792 7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.374 10.050 6.765 1.00 0.00 H new ATOM 173 N ILE A 32 -6.549 6.931 4.143 1.00 0.00 N ATOM 174 CA ILE A 32 -7.712 6.205 4.644 1.00 0.00 C ATOM 175 C ILE A 32 -7.802 4.825 3.998 1.00 0.00 C ATOM 176 O ILE A 32 -8.063 3.828 4.673 1.00 0.00 O ATOM 177 CB ILE A 32 -8.986 7.003 4.347 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.983 8.288 5.177 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.217 6.168 4.714 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.091 9.220 4.682 1.00 0.00 C ATOM 0 H ILE A 32 -6.769 7.767 3.602 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.607 6.077 5.721 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.019 7.249 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.135 8.053 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.015 8.783 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.121 6.739 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.222 5.249 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.186 5.920 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.088 10.135 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.919 9.465 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.056 8.724 4.785 1.00 0.00 H new ATOM 192 N ILE A 33 -7.589 4.777 2.688 1.00 0.00 N ATOM 193 CA ILE A 33 -7.651 3.519 1.954 1.00 0.00 C ATOM 194 C ILE A 33 -6.552 2.566 2.421 1.00 0.00 C ATOM 195 O ILE A 33 -6.796 1.373 2.612 1.00 0.00 O ATOM 196 CB ILE A 33 -7.510 3.789 0.453 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.753 4.536 -0.045 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.385 2.466 -0.306 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.476 5.122 -1.429 1.00 0.00 C ATOM 0 H ILE A 33 -7.373 5.592 2.114 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.616 3.050 2.147 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.618 4.391 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.605 3.857 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.016 5.331 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.285 2.667 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.506 1.926 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.275 1.861 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.360 5.653 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.636 5.814 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.234 4.317 -2.123 1.00 0.00 H new ATOM 211 N GLY A 34 -5.345 3.094 2.599 1.00 0.00 N ATOM 212 CA GLY A 34 -4.223 2.271 3.038 1.00 0.00 C ATOM 213 C GLY A 34 -4.496 1.669 4.412 1.00 0.00 C ATOM 214 O GLY A 34 -4.255 0.483 4.640 1.00 0.00 O ATOM 0 H GLY A 34 -5.120 4.077 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.047 1.474 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.316 2.875 3.074 1.00 0.00 H new ATOM 218 N ILE A 35 -5.006 2.490 5.323 1.00 0.00 N ATOM 219 CA ILE A 35 -5.316 2.025 6.671 1.00 0.00 C ATOM 220 C ILE A 35 -6.425 0.977 6.622 1.00 0.00 C ATOM 221 O ILE A 35 -6.360 -0.044 7.308 1.00 0.00 O ATOM 222 CB ILE A 35 -5.736 3.204 7.554 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.527 4.118 7.777 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.230 2.684 8.907 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.980 5.427 8.422 1.00 0.00 C ATOM 0 H ILE A 35 -5.213 3.475 5.155 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.424 1.570 7.101 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.537 3.758 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.797 3.621 8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.033 4.322 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.528 3.525 9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.085 2.025 8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.429 2.131 9.399 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.116 6.073 8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.694 5.927 7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.453 5.215 9.381 1.00 0.00 H new ATOM 237 N LEU A 36 -7.441 1.239 5.808 1.00 0.00 N ATOM 238 CA LEU A 36 -8.563 0.315 5.677 1.00 0.00 C ATOM 239 C LEU A 36 -8.081 -1.031 5.145 1.00 0.00 C ATOM 240 O LEU A 36 -8.537 -2.083 5.591 1.00 0.00 O ATOM 241 CB LEU A 36 -9.620 0.904 4.732 1.00 0.00 C ATOM 242 CG LEU A 36 -10.787 -0.082 4.543 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.406 -0.450 5.901 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.852 0.574 3.655 1.00 0.00 C ATOM 0 H LEU A 36 -7.512 2.078 5.232 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.009 0.164 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.993 1.845 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.167 1.130 3.766 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.415 -0.993 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.229 -1.148 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.649 -0.915 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.780 0.451 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.684 -0.116 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.213 1.485 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.417 0.820 2.686 1.00 0.00 H new ATOM 256 N HIS A 37 -7.155 -0.995 4.190 1.00 0.00 N ATOM 257 CA HIS A 37 -6.628 -2.226 3.616 1.00 0.00 C ATOM 258 C HIS A 37 -5.992 -3.080 4.707 1.00 0.00 C ATOM 259 O HIS A 37 -6.171 -4.298 4.737 1.00 0.00 O ATOM 260 CB HIS A 37 -5.578 -1.913 2.547 1.00 0.00 C ATOM 261 CG HIS A 37 -5.108 -3.203 1.930 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.294 -3.495 0.590 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.482 -4.300 2.466 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.790 -4.721 0.370 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.281 -5.256 1.479 1.00 0.00 N ATOM 0 H HIS A 37 -6.760 -0.138 3.803 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.454 -2.771 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.002 -1.262 1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.737 -1.379 2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.189 -4.404 3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.797 -5.214 -0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.839 -6.170 1.581 1.00 0.00 H new ATOM 273 N LEU A 38 -5.250 -2.437 5.600 1.00 0.00 N ATOM 274 CA LEU A 38 -4.584 -3.148 6.688 1.00 0.00 C ATOM 275 C LEU A 38 -5.597 -3.840 7.598 1.00 0.00 C ATOM 276 O LEU A 38 -5.357 -4.952 8.060 1.00 0.00 O ATOM 277 CB LEU A 38 -3.714 -2.165 7.505 1.00 0.00 C ATOM 278 CG LEU A 38 -2.293 -2.081 6.904 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.626 -0.766 7.315 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.436 -3.256 7.413 1.00 0.00 C ATOM 0 H LEU A 38 -5.094 -1.429 5.594 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.945 -3.917 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.174 -1.177 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.659 -2.494 8.543 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.372 -2.127 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.625 -0.716 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.219 0.072 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.558 -0.716 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.436 -3.189 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.369 -3.213 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.896 -4.198 7.115 1.00 0.00 H new ATOM 292 N ILE A 39 -6.715 -3.186 7.867 1.00 0.00 N ATOM 293 CA ILE A 39 -7.712 -3.785 8.742 1.00 0.00 C ATOM 294 C ILE A 39 -8.207 -5.110 8.160 1.00 0.00 C ATOM 295 O ILE A 39 -8.262 -6.118 8.860 1.00 0.00 O ATOM 296 CB ILE A 39 -8.897 -2.828 8.910 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.428 -1.564 9.644 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.999 -3.510 9.727 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.534 -0.501 9.623 1.00 0.00 C ATOM 0 H ILE A 39 -6.953 -2.263 7.503 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.253 -3.974 9.713 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.288 -2.560 7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.167 -1.808 10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.527 -1.172 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.840 -2.827 9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.332 -4.410 9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.610 -3.779 10.709 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.191 0.391 10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.774 -0.246 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.424 -0.892 10.117 1.00 0.00 H new ATOM 311 N LEU A 40 -8.564 -5.100 6.880 1.00 0.00 N ATOM 312 CA LEU A 40 -9.052 -6.312 6.224 1.00 0.00 C ATOM 313 C LEU A 40 -7.931 -7.336 6.014 1.00 0.00 C ATOM 314 O LEU A 40 -8.126 -8.532 6.238 1.00 0.00 O ATOM 315 CB LEU A 40 -9.682 -5.951 4.877 1.00 0.00 C ATOM 316 CG LEU A 40 -10.716 -4.835 5.072 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.336 -4.475 3.718 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.820 -5.299 6.038 1.00 0.00 C ATOM 0 H LEU A 40 -8.526 -4.276 6.280 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.800 -6.766 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.910 -5.627 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.158 -6.829 4.440 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.222 -3.960 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.071 -3.682 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.555 -4.133 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.824 -5.354 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.549 -4.499 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.317 -6.178 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.378 -5.549 7.003 1.00 0.00 H new ATOM 330 N TRP A 41 -6.767 -6.868 5.568 1.00 0.00 N ATOM 331 CA TRP A 41 -5.632 -7.758 5.314 1.00 0.00 C ATOM 332 C TRP A 41 -5.110 -8.383 6.607 1.00 0.00 C ATOM 333 O TRP A 41 -4.912 -9.597 6.680 1.00 0.00 O ATOM 334 CB TRP A 41 -4.519 -6.980 4.602 1.00 0.00 C ATOM 335 CG TRP A 41 -3.268 -7.803 4.512 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.993 -8.713 3.546 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.103 -7.773 5.382 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.743 -9.256 3.786 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.155 -8.705 4.904 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.783 -7.037 6.535 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.065 -8.896 5.547 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.550 -7.225 7.177 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.371 -8.150 6.682 1.00 0.00 C ATOM 0 H TRP A 41 -6.584 -5.883 5.375 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.969 -8.573 4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.848 -6.699 3.601 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.313 -6.055 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.643 -8.972 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.310 -9.975 3.207 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.490 -6.322 6.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.771 -9.620 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.312 -6.650 8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.320 -8.287 7.179 1.00 0.00 H new ATOM 354 N ILE A 42 -4.887 -7.558 7.623 1.00 0.00 N ATOM 355 CA ILE A 42 -4.389 -8.066 8.897 1.00 0.00 C ATOM 356 C ILE A 42 -5.453 -8.962 9.547 1.00 0.00 C ATOM 357 O ILE A 42 -5.144 -10.021 10.092 1.00 0.00 O ATOM 358 CB ILE A 42 -4.001 -6.879 9.812 1.00 0.00 C ATOM 359 CG1 ILE A 42 -2.872 -7.283 10.779 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.212 -6.385 10.615 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.243 -8.560 11.534 1.00 0.00 C ATOM 0 H ILE A 42 -5.040 -6.550 7.593 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.497 -8.671 8.736 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.650 -6.070 9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.947 -7.438 10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.686 -6.476 11.488 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.912 -5.551 11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.994 -6.057 9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.592 -7.196 11.237 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.434 -8.830 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.155 -8.392 12.106 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.405 -9.369 10.822 1.00 0.00 H new ATOM 373 N LEU A 43 -6.708 -8.531 9.473 1.00 0.00 N ATOM 374 CA LEU A 43 -7.807 -9.298 10.047 1.00 0.00 C ATOM 375 C LEU A 43 -7.939 -10.653 9.355 1.00 0.00 C ATOM 376 O LEU A 43 -8.184 -11.669 10.005 1.00 0.00 O ATOM 377 CB LEU A 43 -9.117 -8.507 9.924 1.00 0.00 C ATOM 378 CG LEU A 43 -10.302 -9.338 10.443 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.044 -9.790 11.889 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.570 -8.480 10.396 1.00 0.00 C ATOM 0 H LEU A 43 -6.988 -7.659 9.024 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.595 -9.473 11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.042 -7.578 10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.286 -8.233 8.883 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.423 -10.221 9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.891 -10.377 12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.140 -10.399 11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.917 -8.915 12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.416 -9.061 10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.436 -7.599 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.761 -8.169 9.369 1.00 0.00 H new ATOM 633 N VAL B 28 -0.351 11.506 -7.492 1.00 0.00 N ATOM 634 CA VAL B 28 -1.546 11.054 -8.196 1.00 0.00 C ATOM 635 C VAL B 28 -1.396 9.594 -8.614 1.00 0.00 C ATOM 636 O VAL B 28 -2.317 8.793 -8.447 1.00 0.00 O ATOM 637 CB VAL B 28 -1.782 11.925 -9.432 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.960 11.369 -10.237 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.096 13.356 -8.994 1.00 0.00 C ATOM 0 HA VAL B 28 -2.401 11.141 -7.525 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.886 11.921 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.126 11.991 -11.116 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.737 10.349 -10.551 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.857 11.370 -9.618 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.264 13.977 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.991 13.358 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.257 13.754 -8.424 1.00 0.00 H new ATOM 649 N ALA B 29 -0.231 9.254 -9.161 1.00 0.00 N ATOM 650 CA ALA B 29 0.022 7.888 -9.598 1.00 0.00 C ATOM 651 C ALA B 29 -0.026 6.927 -8.413 1.00 0.00 C ATOM 652 O ALA B 29 -0.538 5.816 -8.526 1.00 0.00 O ATOM 653 CB ALA B 29 1.393 7.797 -10.269 1.00 0.00 C ATOM 0 H ALA B 29 0.544 9.900 -9.310 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.753 7.609 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.573 6.772 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.420 8.460 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.166 8.095 -9.560 1.00 0.00 H new ATOM 659 N ALA B 30 0.509 7.363 -7.279 1.00 0.00 N ATOM 660 CA ALA B 30 0.520 6.523 -6.088 1.00 0.00 C ATOM 661 C ALA B 30 -0.903 6.162 -5.671 1.00 0.00 C ATOM 662 O ALA B 30 -1.187 5.014 -5.332 1.00 0.00 O ATOM 663 CB ALA B 30 1.220 7.252 -4.941 1.00 0.00 C ATOM 0 H ALA B 30 0.936 8.282 -7.159 1.00 0.00 H new ATOM 0 HA ALA B 30 1.061 5.606 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.224 6.617 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.246 7.481 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.690 8.179 -4.721 1.00 0.00 H new ATOM 669 N ASN B 31 -1.793 7.149 -5.698 1.00 0.00 N ATOM 670 CA ASN B 31 -3.181 6.918 -5.321 1.00 0.00 C ATOM 671 C ASN B 31 -3.856 5.954 -6.295 1.00 0.00 C ATOM 672 O ASN B 31 -4.590 5.055 -5.886 1.00 0.00 O ATOM 673 CB ASN B 31 -3.944 8.243 -5.304 1.00 0.00 C ATOM 674 CG ASN B 31 -5.410 7.998 -4.959 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.833 6.851 -4.818 1.00 0.00 O ATOM 676 ND2 ASN B 31 -6.215 9.016 -4.818 1.00 0.00 N ATOM 0 H ASN B 31 -1.580 8.107 -5.974 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.194 6.475 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.498 8.919 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.867 8.729 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.197 8.862 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.862 9.966 -4.935 1.00 0.00 H new ATOM 683 N ILE B 32 -3.602 6.150 -7.585 1.00 0.00 N ATOM 684 CA ILE B 32 -4.193 5.295 -8.610 1.00 0.00 C ATOM 685 C ILE B 32 -3.672 3.864 -8.480 1.00 0.00 C ATOM 686 O ILE B 32 -4.435 2.903 -8.567 1.00 0.00 O ATOM 687 CB ILE B 32 -3.859 5.845 -10.000 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.576 7.185 -10.197 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.331 4.860 -11.075 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.032 7.876 -11.449 1.00 0.00 C ATOM 0 H ILE B 32 -2.996 6.887 -7.944 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.275 5.285 -8.475 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.781 5.983 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.650 7.024 -10.295 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.427 7.821 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.091 5.256 -12.062 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.829 3.902 -10.936 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.409 4.720 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.542 8.829 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.962 8.050 -11.333 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.204 7.241 -12.318 1.00 0.00 H new ATOM 702 N ILE B 33 -2.365 3.736 -8.275 1.00 0.00 N ATOM 703 CA ILE B 33 -1.745 2.422 -8.138 1.00 0.00 C ATOM 704 C ILE B 33 -2.264 1.705 -6.894 1.00 0.00 C ATOM 705 O ILE B 33 -2.565 0.513 -6.936 1.00 0.00 O ATOM 706 CB ILE B 33 -0.222 2.578 -8.061 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.307 3.063 -9.414 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.421 1.228 -7.725 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.746 3.560 -9.251 1.00 0.00 C ATOM 0 H ILE B 33 -1.718 4.521 -8.200 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.003 1.820 -9.009 1.00 0.00 H new ATOM 0 HB ILE B 33 0.026 3.302 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.271 2.253 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.325 3.864 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.503 1.344 -7.671 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.046 0.875 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.172 0.503 -8.500 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.123 3.905 -10.214 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.768 4.383 -8.536 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.373 2.746 -8.887 1.00 0.00 H new ATOM 721 N GLY B 34 -2.365 2.437 -5.788 1.00 0.00 N ATOM 722 CA GLY B 34 -2.846 1.849 -4.542 1.00 0.00 C ATOM 723 C GLY B 34 -4.274 1.336 -4.696 1.00 0.00 C ATOM 724 O GLY B 34 -4.596 0.229 -4.265 1.00 0.00 O ATOM 0 H GLY B 34 -2.124 3.426 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.191 1.029 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.807 2.592 -3.746 1.00 0.00 H new ATOM 728 N ILE B 35 -5.125 2.144 -5.324 1.00 0.00 N ATOM 729 CA ILE B 35 -6.514 1.757 -5.537 1.00 0.00 C ATOM 730 C ILE B 35 -6.585 0.543 -6.462 1.00 0.00 C ATOM 731 O ILE B 35 -7.354 -0.388 -6.224 1.00 0.00 O ATOM 732 CB ILE B 35 -7.302 2.927 -6.134 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.413 4.041 -5.086 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.706 2.457 -6.524 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.956 5.312 -5.739 1.00 0.00 C ATOM 0 H ILE B 35 -4.878 3.063 -5.691 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.957 1.492 -4.577 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.788 3.300 -7.020 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.072 3.727 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.436 4.237 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.264 3.291 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.630 1.658 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.224 2.086 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.033 6.101 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.281 5.630 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.942 5.113 -6.159 1.00 0.00 H new ATOM 747 N LEU B 36 -5.776 0.563 -7.518 1.00 0.00 N ATOM 748 CA LEU B 36 -5.752 -0.538 -8.473 1.00 0.00 C ATOM 749 C LEU B 36 -5.326 -1.831 -7.783 1.00 0.00 C ATOM 750 O LEU B 36 -5.874 -2.900 -8.059 1.00 0.00 O ATOM 751 CB LEU B 36 -4.790 -0.215 -9.624 1.00 0.00 C ATOM 752 CG LEU B 36 -4.715 -1.390 -10.616 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.116 -1.729 -11.150 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.804 -0.998 -11.782 1.00 0.00 C ATOM 0 H LEU B 36 -5.133 1.325 -7.732 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.756 -0.672 -8.876 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.124 0.684 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.797 -0.004 -9.227 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.315 -2.266 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.047 -2.562 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.765 -2.006 -10.319 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.531 -0.860 -11.660 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.744 -1.824 -12.491 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.211 -0.119 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.807 -0.771 -11.404 1.00 0.00 H new ATOM 766 N HIS B 37 -4.351 -1.730 -6.886 1.00 0.00 N ATOM 767 CA HIS B 37 -3.872 -2.906 -6.171 1.00 0.00 C ATOM 768 C HIS B 37 -5.015 -3.547 -5.394 1.00 0.00 C ATOM 769 O HIS B 37 -5.154 -4.771 -5.373 1.00 0.00 O ATOM 770 CB HIS B 37 -2.755 -2.522 -5.196 1.00 0.00 C ATOM 771 CG HIS B 37 -2.243 -3.771 -4.525 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.936 -4.202 -4.669 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.857 -4.702 -3.726 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.810 -5.349 -3.977 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.951 -5.697 -3.382 1.00 0.00 N ATOM 0 H HIS B 37 -3.883 -0.858 -6.639 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.483 -3.615 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.946 -2.021 -5.728 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.130 -1.820 -4.451 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.890 -4.667 -3.412 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.105 -5.919 -3.912 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.122 -6.517 -2.800 1.00 0.00 H new ATOM 783 N LEU B 38 -5.831 -2.715 -4.756 1.00 0.00 N ATOM 784 CA LEU B 38 -6.958 -3.211 -3.971 1.00 0.00 C ATOM 785 C LEU B 38 -7.950 -3.970 -4.848 1.00 0.00 C ATOM 786 O LEU B 38 -8.503 -4.983 -4.425 1.00 0.00 O ATOM 787 CB LEU B 38 -7.662 -2.033 -3.262 1.00 0.00 C ATOM 788 CG LEU B 38 -7.009 -1.771 -1.886 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.290 -0.336 -1.438 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.582 -2.742 -0.836 1.00 0.00 C ATOM 0 H LEU B 38 -5.735 -1.700 -4.766 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.575 -3.904 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.598 -1.137 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.721 -2.257 -3.133 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.934 -1.923 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.826 -0.160 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.878 0.360 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.366 -0.184 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.116 -2.550 0.130 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.659 -2.596 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.377 -3.769 -1.140 1.00 0.00 H new ATOM 802 N ILE B 39 -8.191 -3.484 -6.056 1.00 0.00 N ATOM 803 CA ILE B 39 -9.141 -4.153 -6.931 1.00 0.00 C ATOM 804 C ILE B 39 -8.690 -5.590 -7.208 1.00 0.00 C ATOM 805 O ILE B 39 -9.475 -6.527 -7.091 1.00 0.00 O ATOM 806 CB ILE B 39 -9.254 -3.391 -8.255 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.864 -2.007 -7.993 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.156 -4.168 -9.222 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.780 -1.144 -9.256 1.00 0.00 C ATOM 0 H ILE B 39 -7.754 -2.649 -6.446 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.113 -4.174 -6.438 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.263 -3.280 -8.695 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.904 -2.112 -7.684 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.336 -1.518 -7.174 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.235 -3.624 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.728 -5.153 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.148 -4.280 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.216 -0.165 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.736 -1.024 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.328 -1.628 -10.064 1.00 0.00 H new ATOM 821 N LEU B 40 -7.422 -5.753 -7.577 1.00 0.00 N ATOM 822 CA LEU B 40 -6.887 -7.081 -7.869 1.00 0.00 C ATOM 823 C LEU B 40 -6.738 -7.925 -6.599 1.00 0.00 C ATOM 824 O LEU B 40 -7.068 -9.111 -6.593 1.00 0.00 O ATOM 825 CB LEU B 40 -5.530 -6.950 -8.564 1.00 0.00 C ATOM 826 CG LEU B 40 -5.652 -6.003 -9.765 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.288 -5.871 -10.449 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.683 -6.550 -10.768 1.00 0.00 C ATOM 0 H LEU B 40 -6.752 -4.991 -7.680 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.594 -7.588 -8.526 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.787 -6.570 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.184 -7.929 -8.895 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.983 -5.025 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.373 -5.199 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.563 -5.469 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.956 -6.851 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.762 -5.870 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.364 -7.532 -11.118 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.654 -6.636 -10.281 1.00 0.00 H new ATOM 840 N TRP B 41 -6.224 -7.315 -5.533 1.00 0.00 N ATOM 841 CA TRP B 41 -6.019 -8.029 -4.271 1.00 0.00 C ATOM 842 C TRP B 41 -7.347 -8.443 -3.638 1.00 0.00 C ATOM 843 O TRP B 41 -7.519 -9.597 -3.245 1.00 0.00 O ATOM 844 CB TRP B 41 -5.212 -7.148 -3.309 1.00 0.00 C ATOM 845 CG TRP B 41 -5.163 -7.763 -1.943 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.276 -8.701 -1.535 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.998 -7.467 -0.790 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.534 -9.016 -0.213 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.581 -8.276 0.291 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.070 -6.584 -0.580 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.206 -8.208 1.533 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.696 -6.512 0.672 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.264 -7.322 1.725 1.00 0.00 C ATOM 0 H TRP B 41 -5.943 -6.335 -5.516 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.461 -8.942 -4.478 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.200 -7.017 -3.691 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.662 -6.157 -3.251 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.494 -9.133 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.013 -9.711 0.323 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.414 -5.956 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.872 -8.839 2.344 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.517 -5.827 0.823 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.750 -7.261 2.688 1.00 0.00 H new ATOM 864 N ILE B 42 -8.283 -7.507 -3.542 1.00 0.00 N ATOM 865 CA ILE B 42 -9.581 -7.810 -2.953 1.00 0.00 C ATOM 866 C ILE B 42 -10.333 -8.805 -3.847 1.00 0.00 C ATOM 867 O ILE B 42 -10.957 -9.746 -3.364 1.00 0.00 O ATOM 868 CB ILE B 42 -10.380 -6.499 -2.754 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.350 -6.628 -1.563 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.167 -6.139 -4.019 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.221 -7.876 -1.712 1.00 0.00 C ATOM 0 H ILE B 42 -8.171 -6.544 -3.860 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.449 -8.273 -1.975 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.664 -5.704 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.786 -6.680 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.982 -5.742 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.720 -5.214 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.476 -6.004 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.866 -6.942 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.899 -7.950 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -12.800 -7.808 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -11.586 -8.761 -1.747 1.00 0.00 H new ATOM 883 N LEU B 43 -10.253 -8.591 -5.157 1.00 0.00 N ATOM 884 CA LEU B 43 -10.918 -9.473 -6.109 1.00 0.00 C ATOM 885 C LEU B 43 -10.349 -10.887 -6.027 1.00 0.00 C ATOM 886 O LEU B 43 -11.090 -11.868 -6.094 1.00 0.00 O ATOM 887 CB LEU B 43 -10.761 -8.919 -7.533 1.00 0.00 C ATOM 888 CG LEU B 43 -11.381 -9.879 -8.560 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.853 -10.152 -8.216 1.00 0.00 C ATOM 890 CD2 LEU B 43 -11.292 -9.246 -9.952 1.00 0.00 C ATOM 0 H LEU B 43 -9.738 -7.820 -5.581 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.978 -9.518 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -11.241 -7.943 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.704 -8.772 -7.757 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.836 -10.823 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -13.278 -10.834 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.918 -10.602 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -13.409 -9.214 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.730 -9.921 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.836 -8.301 -9.958 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -10.247 -9.065 -10.203 1.00 0.00 H new ATOM 1143 N VAL C 28 8.469 10.613 -2.067 1.00 0.00 N ATOM 1144 CA VAL C 28 9.118 9.921 -3.174 1.00 0.00 C ATOM 1145 C VAL C 28 9.409 8.471 -2.797 1.00 0.00 C ATOM 1146 O VAL C 28 9.163 7.555 -3.582 1.00 0.00 O ATOM 1147 CB VAL C 28 10.424 10.630 -3.539 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.164 9.830 -4.614 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.107 12.029 -4.074 1.00 0.00 C ATOM 0 HA VAL C 28 8.448 9.935 -4.033 1.00 0.00 H new ATOM 0 HB VAL C 28 11.053 10.709 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.093 10.339 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.389 8.833 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.538 9.748 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.035 12.538 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.477 11.946 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.583 12.601 -3.308 1.00 0.00 H new ATOM 1159 N ALA C 29 9.933 8.269 -1.592 1.00 0.00 N ATOM 1160 CA ALA C 29 10.250 6.925 -1.126 1.00 0.00 C ATOM 1161 C ALA C 29 8.987 6.078 -1.029 1.00 0.00 C ATOM 1162 O ALA C 29 8.995 4.896 -1.362 1.00 0.00 O ATOM 1163 CB ALA C 29 10.926 6.990 0.246 1.00 0.00 C ATOM 0 H ALA C 29 10.145 9.012 -0.926 1.00 0.00 H new ATOM 0 HA ALA C 29 10.929 6.466 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.159 5.981 0.585 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.847 7.569 0.171 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.255 7.467 0.960 1.00 0.00 H new ATOM 1169 N ALA C 30 7.900 6.690 -0.573 1.00 0.00 N ATOM 1170 CA ALA C 30 6.640 5.971 -0.436 1.00 0.00 C ATOM 1171 C ALA C 30 6.179 5.433 -1.787 1.00 0.00 C ATOM 1172 O ALA C 30 5.737 4.289 -1.890 1.00 0.00 O ATOM 1173 CB ALA C 30 5.568 6.900 0.137 1.00 0.00 C ATOM 0 H ALA C 30 7.865 7.671 -0.295 1.00 0.00 H new ATOM 0 HA ALA C 30 6.795 5.132 0.243 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.629 6.355 0.236 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.884 7.260 1.116 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.426 7.748 -0.533 1.00 0.00 H new ATOM 1179 N ASN C 31 6.282 6.263 -2.819 1.00 0.00 N ATOM 1180 CA ASN C 31 5.872 5.851 -4.158 1.00 0.00 C ATOM 1181 C ASN C 31 6.751 4.713 -4.669 1.00 0.00 C ATOM 1182 O ASN C 31 6.257 3.751 -5.256 1.00 0.00 O ATOM 1183 CB ASN C 31 5.964 7.039 -5.117 1.00 0.00 C ATOM 1184 CG ASN C 31 5.585 6.601 -6.527 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.339 5.419 -6.768 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.524 7.489 -7.483 1.00 0.00 N ATOM 0 H ASN C 31 6.642 7.215 -2.757 1.00 0.00 H new ATOM 0 HA ASN C 31 4.842 5.499 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.301 7.837 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.976 7.443 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.273 7.203 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.728 8.468 -7.283 1.00 0.00 H new ATOM 1193 N ILE C 32 8.056 4.831 -4.445 1.00 0.00 N ATOM 1194 CA ILE C 32 8.995 3.807 -4.891 1.00 0.00 C ATOM 1195 C ILE C 32 8.747 2.491 -4.152 1.00 0.00 C ATOM 1196 O ILE C 32 8.740 1.421 -4.757 1.00 0.00 O ATOM 1197 CB ILE C 32 10.433 4.277 -4.642 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.739 5.466 -5.558 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.412 3.140 -4.951 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.051 6.121 -5.124 1.00 0.00 C ATOM 0 H ILE C 32 8.485 5.619 -3.961 1.00 0.00 H new ATOM 0 HA ILE C 32 8.847 3.641 -5.958 1.00 0.00 H new ATOM 0 HB ILE C 32 10.540 4.573 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.812 5.132 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.926 6.191 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.432 3.480 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.195 2.288 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.306 2.842 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.268 6.967 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.961 6.470 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.860 5.394 -5.191 1.00 0.00 H new ATOM 1212 N ILE C 33 8.544 2.587 -2.843 1.00 0.00 N ATOM 1213 CA ILE C 33 8.299 1.404 -2.026 1.00 0.00 C ATOM 1214 C ILE C 33 6.991 0.728 -2.432 1.00 0.00 C ATOM 1215 O ILE C 33 6.924 -0.496 -2.541 1.00 0.00 O ATOM 1216 CB ILE C 33 8.251 1.801 -0.546 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.646 2.239 -0.095 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.801 0.604 0.298 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.543 2.967 1.247 1.00 0.00 C ATOM 0 H ILE C 33 8.544 3.467 -2.327 1.00 0.00 H new ATOM 0 HA ILE C 33 9.112 0.695 -2.183 1.00 0.00 H new ATOM 0 HB ILE C 33 7.545 2.621 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.299 1.371 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.093 2.894 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.769 0.891 1.349 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.809 0.286 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.505 -0.218 0.168 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.537 3.279 1.569 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.905 3.844 1.137 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.114 2.297 1.992 1.00 0.00 H new ATOM 1231 N GLY C 34 5.953 1.529 -2.649 1.00 0.00 N ATOM 1232 CA GLY C 34 4.654 0.987 -3.038 1.00 0.00 C ATOM 1233 C GLY C 34 4.749 0.246 -4.368 1.00 0.00 C ATOM 1234 O GLY C 34 4.217 -0.854 -4.514 1.00 0.00 O ATOM 0 H GLY C 34 5.983 2.545 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.292 0.309 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.928 1.796 -3.119 1.00 0.00 H new ATOM 1238 N ILE C 35 5.435 0.852 -5.330 1.00 0.00 N ATOM 1239 CA ILE C 35 5.600 0.237 -6.641 1.00 0.00 C ATOM 1240 C ILE C 35 6.414 -1.050 -6.521 1.00 0.00 C ATOM 1241 O ILE C 35 6.086 -2.066 -7.135 1.00 0.00 O ATOM 1242 CB ILE C 35 6.287 1.214 -7.601 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.339 2.383 -7.887 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.619 0.500 -8.914 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.094 3.494 -8.622 1.00 0.00 C ATOM 0 H ILE C 35 5.883 1.763 -5.228 1.00 0.00 H new ATOM 0 HA ILE C 35 4.616 -0.009 -7.040 1.00 0.00 H new ATOM 0 HB ILE C 35 7.208 1.583 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.498 2.042 -8.490 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.927 2.766 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.107 1.198 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.286 -0.338 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.700 0.132 -9.370 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.416 4.323 -8.823 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.920 3.843 -8.003 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.484 3.108 -9.564 1.00 0.00 H new ATOM 1257 N LEU C 36 7.475 -0.998 -5.720 1.00 0.00 N ATOM 1258 CA LEU C 36 8.331 -2.163 -5.522 1.00 0.00 C ATOM 1259 C LEU C 36 7.534 -3.306 -4.901 1.00 0.00 C ATOM 1260 O LEU C 36 7.709 -4.468 -5.273 1.00 0.00 O ATOM 1261 CB LEU C 36 9.516 -1.797 -4.615 1.00 0.00 C ATOM 1262 CG LEU C 36 10.401 -3.029 -4.357 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.890 -3.628 -5.686 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.608 -2.604 -3.513 1.00 0.00 C ATOM 0 H LEU C 36 7.761 -0.168 -5.201 1.00 0.00 H new ATOM 0 HA LEU C 36 8.711 -2.486 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.107 -1.009 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.148 -1.402 -3.668 1.00 0.00 H new ATOM 0 HG LEU C 36 9.819 -3.784 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.515 -4.498 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.032 -3.928 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.471 -2.883 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.243 -3.470 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.179 -1.846 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.262 -2.193 -2.564 1.00 0.00 H new ATOM 1276 N HIS C 37 6.660 -2.975 -3.956 1.00 0.00 N ATOM 1277 CA HIS C 37 5.848 -3.993 -3.302 1.00 0.00 C ATOM 1278 C HIS C 37 5.008 -4.735 -4.333 1.00 0.00 C ATOM 1279 O HIS C 37 4.877 -5.957 -4.279 1.00 0.00 O ATOM 1280 CB HIS C 37 4.923 -3.358 -2.262 1.00 0.00 C ATOM 1281 CG HIS C 37 4.150 -4.445 -1.563 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.269 -4.683 -0.204 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.265 -5.386 -2.027 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.479 -5.729 0.095 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.844 -6.194 -0.979 1.00 0.00 N ATOM 0 H HIS C 37 6.497 -2.022 -3.630 1.00 0.00 H new ATOM 0 HA HIS C 37 6.518 -4.694 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.505 -2.786 -1.539 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.239 -2.660 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.944 -5.483 -3.054 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.372 -6.142 1.087 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.190 -6.975 -1.023 1.00 0.00 H new ATOM 1293 N LEU C 38 4.437 -3.987 -5.271 1.00 0.00 N ATOM 1294 CA LEU C 38 3.601 -4.579 -6.311 1.00 0.00 C ATOM 1295 C LEU C 38 4.396 -5.560 -7.170 1.00 0.00 C ATOM 1296 O LEU C 38 3.879 -6.606 -7.558 1.00 0.00 O ATOM 1297 CB LEU C 38 2.991 -3.467 -7.194 1.00 0.00 C ATOM 1298 CG LEU C 38 1.648 -2.987 -6.601 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.326 -1.578 -7.101 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.515 -3.939 -7.024 1.00 0.00 C ATOM 0 H LEU C 38 4.537 -2.974 -5.333 1.00 0.00 H new ATOM 0 HA LEU C 38 2.798 -5.134 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.685 -2.629 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.836 -3.841 -8.206 1.00 0.00 H new ATOM 0 HG LEU C 38 1.733 -2.978 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.377 -1.249 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.117 -0.894 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.254 -1.585 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.428 -3.593 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.441 -3.956 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.729 -4.944 -6.659 1.00 0.00 H new ATOM 1312 N ILE C 39 5.638 -5.226 -7.480 1.00 0.00 N ATOM 1313 CA ILE C 39 6.443 -6.112 -8.309 1.00 0.00 C ATOM 1314 C ILE C 39 6.598 -7.477 -7.638 1.00 0.00 C ATOM 1315 O ILE C 39 6.389 -8.512 -8.269 1.00 0.00 O ATOM 1316 CB ILE C 39 7.826 -5.496 -8.537 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.681 -4.207 -9.355 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.712 -6.485 -9.302 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.017 -3.455 -9.402 1.00 0.00 C ATOM 0 H ILE C 39 6.103 -4.370 -7.180 1.00 0.00 H new ATOM 0 HA ILE C 39 5.939 -6.244 -9.267 1.00 0.00 H new ATOM 0 HB ILE C 39 8.283 -5.270 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.354 -4.445 -10.367 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.913 -3.572 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.696 -6.043 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.816 -7.403 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.255 -6.713 -10.265 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.900 -2.542 -9.986 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.327 -3.201 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.774 -4.087 -9.865 1.00 0.00 H new ATOM 1331 N LEU C 40 6.965 -7.474 -6.360 1.00 0.00 N ATOM 1332 CA LEU C 40 7.143 -8.724 -5.623 1.00 0.00 C ATOM 1333 C LEU C 40 5.806 -9.418 -5.349 1.00 0.00 C ATOM 1334 O LEU C 40 5.694 -10.637 -5.490 1.00 0.00 O ATOM 1335 CB LEU C 40 7.861 -8.444 -4.301 1.00 0.00 C ATOM 1336 CG LEU C 40 9.139 -7.636 -4.567 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.846 -7.356 -3.238 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.078 -8.425 -5.495 1.00 0.00 C ATOM 0 H LEU C 40 7.144 -6.630 -5.816 1.00 0.00 H new ATOM 0 HA LEU C 40 7.744 -9.393 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.204 -7.892 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.109 -9.382 -3.805 1.00 0.00 H new ATOM 0 HG LEU C 40 8.875 -6.694 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.754 -6.782 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.183 -6.787 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.104 -8.300 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.982 -7.844 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.344 -9.371 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.574 -8.620 -6.442 1.00 0.00 H new ATOM 1350 N TRP C 41 4.803 -8.644 -4.939 1.00 0.00 N ATOM 1351 CA TRP C 41 3.487 -9.205 -4.629 1.00 0.00 C ATOM 1352 C TRP C 41 2.805 -9.761 -5.879 1.00 0.00 C ATOM 1353 O TRP C 41 2.310 -10.888 -5.871 1.00 0.00 O ATOM 1354 CB TRP C 41 2.614 -8.127 -3.973 1.00 0.00 C ATOM 1355 CG TRP C 41 1.201 -8.606 -3.833 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.722 -9.354 -2.811 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.068 -8.342 -4.707 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.624 -9.588 -3.019 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.073 -8.977 -4.173 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.074 -7.622 -5.907 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.310 -8.900 -4.804 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.322 -7.538 -6.539 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.435 -8.176 -5.989 1.00 0.00 C ATOM 0 H TRP C 41 4.874 -7.634 -4.814 1.00 0.00 H new ATOM 0 HA TRP C 41 3.621 -10.036 -3.936 1.00 0.00 H new ATOM 0 HB2 TRP C 41 3.016 -7.873 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.638 -7.217 -4.573 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.298 -9.710 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.212 -10.143 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.783 -7.131 -6.344 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.169 -9.398 -4.379 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.423 -6.977 -7.456 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.394 -8.109 -6.482 1.00 0.00 H new ATOM 1374 N ILE C 42 2.782 -8.976 -6.950 1.00 0.00 N ATOM 1375 CA ILE C 42 2.154 -9.427 -8.188 1.00 0.00 C ATOM 1376 C ILE C 42 2.951 -10.601 -8.773 1.00 0.00 C ATOM 1377 O ILE C 42 2.380 -11.581 -9.245 1.00 0.00 O ATOM 1378 CB ILE C 42 2.063 -8.243 -9.182 1.00 0.00 C ATOM 1379 CG1 ILE C 42 0.857 -8.414 -10.125 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.349 -8.123 -10.014 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.886 -9.791 -10.790 1.00 0.00 C ATOM 0 H ILE C 42 3.184 -8.039 -6.988 1.00 0.00 H new ATOM 0 HA ILE C 42 1.141 -9.778 -7.989 1.00 0.00 H new ATOM 0 HB ILE C 42 1.934 -7.332 -8.597 1.00 0.00 H new ATOM 0 HG12 ILE C 42 -0.070 -8.294 -9.564 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.871 -7.635 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.259 -7.284 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.198 -7.958 -9.350 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.504 -9.042 -10.579 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.026 -9.893 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE C 42 1.804 -9.897 -11.368 1.00 0.00 H new ATOM 0 HD13 ILE C 42 0.848 -10.566 -10.024 1.00 0.00 H new ATOM 1393 N LEU C 43 4.274 -10.493 -8.723 1.00 0.00 N ATOM 1394 CA LEU C 43 5.139 -11.550 -9.241 1.00 0.00 C ATOM 1395 C LEU C 43 4.937 -12.843 -8.458 1.00 0.00 C ATOM 1396 O LEU C 43 4.912 -13.931 -9.038 1.00 0.00 O ATOM 1397 CB LEU C 43 6.608 -11.105 -9.166 1.00 0.00 C ATOM 1398 CG LEU C 43 7.539 -12.237 -9.624 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.158 -12.705 -11.036 1.00 0.00 C ATOM 1400 CD2 LEU C 43 8.983 -11.724 -9.629 1.00 0.00 C ATOM 0 H LEU C 43 4.769 -9.691 -8.333 1.00 0.00 H new ATOM 0 HA LEU C 43 4.876 -11.738 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.760 -10.226 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.854 -10.815 -8.145 1.00 0.00 H new ATOM 0 HG LEU C 43 7.443 -13.079 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU C 43 7.827 -13.508 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.131 -13.070 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.245 -11.871 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.651 -12.522 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU C 43 9.067 -10.880 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.259 -11.405 -8.624 1.00 0.00 H new ATOM 1653 N VAL D 28 3.038 11.522 7.017 1.00 0.00 N ATOM 1654 CA VAL D 28 4.108 10.848 7.739 1.00 0.00 C ATOM 1655 C VAL D 28 3.633 9.490 8.247 1.00 0.00 C ATOM 1656 O VAL D 28 4.341 8.489 8.124 1.00 0.00 O ATOM 1657 CB VAL D 28 4.564 11.709 8.921 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.597 10.942 9.750 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.192 13.000 8.393 1.00 0.00 C ATOM 0 HA VAL D 28 4.945 10.697 7.058 1.00 0.00 H new ATOM 0 HB VAL D 28 3.705 11.948 9.548 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.919 11.558 10.590 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.151 10.021 10.125 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.458 10.701 9.126 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.518 13.616 9.231 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.050 12.757 7.766 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.456 13.548 7.805 1.00 0.00 H new ATOM 1669 N ALA D 29 2.435 9.462 8.818 1.00 0.00 N ATOM 1670 CA ALA D 29 1.880 8.218 9.341 1.00 0.00 C ATOM 1671 C ALA D 29 1.680 7.208 8.217 1.00 0.00 C ATOM 1672 O ALA D 29 1.923 6.015 8.394 1.00 0.00 O ATOM 1673 CB ALA D 29 0.538 8.490 10.025 1.00 0.00 C ATOM 0 H ALA D 29 1.833 10.278 8.931 1.00 0.00 H new ATOM 0 HA ALA D 29 2.582 7.807 10.067 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.131 7.556 10.412 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.684 9.191 10.847 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.158 8.917 9.303 1.00 0.00 H new ATOM 1679 N ALA D 30 1.238 7.688 7.060 1.00 0.00 N ATOM 1680 CA ALA D 30 1.009 6.805 5.923 1.00 0.00 C ATOM 1681 C ALA D 30 2.302 6.101 5.521 1.00 0.00 C ATOM 1682 O ALA D 30 2.307 4.900 5.252 1.00 0.00 O ATOM 1683 CB ALA D 30 0.476 7.611 4.737 1.00 0.00 C ATOM 0 H ALA D 30 1.033 8.672 6.886 1.00 0.00 H new ATOM 0 HA ALA D 30 0.275 6.053 6.213 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.307 6.945 3.891 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.463 8.090 5.015 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.204 8.374 4.459 1.00 0.00 H new ATOM 1689 N ASN D 31 3.397 6.854 5.484 1.00 0.00 N ATOM 1690 CA ASN D 31 4.687 6.285 5.113 1.00 0.00 C ATOM 1691 C ASN D 31 5.139 5.250 6.141 1.00 0.00 C ATOM 1692 O ASN D 31 5.637 4.182 5.783 1.00 0.00 O ATOM 1693 CB ASN D 31 5.735 7.394 5.011 1.00 0.00 C ATOM 1694 CG ASN D 31 7.097 6.798 4.674 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.241 5.577 4.602 1.00 0.00 O ATOM 1696 ND2 ASN D 31 8.113 7.591 4.465 1.00 0.00 N ATOM 0 H ASN D 31 3.417 7.850 5.704 1.00 0.00 H new ATOM 0 HA ASN D 31 4.579 5.793 4.146 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.443 8.111 4.244 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.791 7.940 5.953 1.00 0.00 H new ATOM 0 HD21 ASN D 31 9.028 7.200 4.242 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.992 8.602 4.525 1.00 0.00 H new ATOM 1703 N ILE D 32 4.964 5.574 7.418 1.00 0.00 N ATOM 1704 CA ILE D 32 5.360 4.665 8.489 1.00 0.00 C ATOM 1705 C ILE D 32 4.521 3.390 8.449 1.00 0.00 C ATOM 1706 O ILE D 32 5.044 2.285 8.589 1.00 0.00 O ATOM 1707 CB ILE D 32 5.190 5.358 9.845 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.199 6.504 9.957 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.439 4.354 10.974 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.853 7.374 11.166 1.00 0.00 C ATOM 0 H ILE D 32 4.554 6.452 7.736 1.00 0.00 H new ATOM 0 HA ILE D 32 6.407 4.395 8.349 1.00 0.00 H new ATOM 0 HB ILE D 32 4.176 5.749 9.926 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.208 6.105 10.060 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.185 7.105 9.048 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.317 4.851 11.936 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.725 3.534 10.896 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.453 3.961 10.894 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.572 8.190 11.245 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.851 7.784 11.044 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.890 6.769 12.072 1.00 0.00 H new ATOM 1722 N ILE D 33 3.217 3.555 8.259 1.00 0.00 N ATOM 1723 CA ILE D 33 2.306 2.418 8.206 1.00 0.00 C ATOM 1724 C ILE D 33 2.621 1.529 7.003 1.00 0.00 C ATOM 1725 O ILE D 33 2.637 0.304 7.116 1.00 0.00 O ATOM 1726 CB ILE D 33 0.860 2.919 8.128 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.486 3.590 9.453 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.086 1.741 7.873 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.798 4.398 9.269 1.00 0.00 C ATOM 0 H ILE D 33 2.768 4.463 8.139 1.00 0.00 H new ATOM 0 HA ILE D 33 2.433 1.825 9.111 1.00 0.00 H new ATOM 0 HB ILE D 33 0.771 3.635 7.311 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.346 2.836 10.228 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.294 4.242 9.784 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.112 2.104 7.819 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.179 1.259 6.932 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.002 1.021 8.687 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.065 4.876 10.211 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.642 5.161 8.507 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.604 3.734 8.958 1.00 0.00 H new ATOM 1741 N GLY D 34 2.866 2.150 5.854 1.00 0.00 N ATOM 1742 CA GLY D 34 3.173 1.397 4.644 1.00 0.00 C ATOM 1743 C GLY D 34 4.446 0.577 4.820 1.00 0.00 C ATOM 1744 O GLY D 34 4.495 -0.598 4.456 1.00 0.00 O ATOM 0 H GLY D 34 2.858 3.163 5.735 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.341 0.736 4.402 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.291 2.082 3.805 1.00 0.00 H new ATOM 1748 N ILE D 35 5.472 1.200 5.394 1.00 0.00 N ATOM 1749 CA ILE D 35 6.737 0.513 5.625 1.00 0.00 C ATOM 1750 C ILE D 35 6.545 -0.627 6.622 1.00 0.00 C ATOM 1751 O ILE D 35 7.073 -1.723 6.436 1.00 0.00 O ATOM 1752 CB ILE D 35 7.787 1.503 6.142 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.132 2.496 5.026 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.052 0.745 6.553 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.969 3.645 5.595 1.00 0.00 C ATOM 0 H ILE D 35 5.452 2.171 5.705 1.00 0.00 H new ATOM 0 HA ILE D 35 7.087 0.093 4.682 1.00 0.00 H new ATOM 0 HB ILE D 35 7.390 2.037 7.005 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.684 1.990 4.234 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.218 2.886 4.579 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.796 1.452 6.920 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.809 0.032 7.341 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.452 0.211 5.691 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.212 4.348 4.798 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.402 4.158 6.371 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.890 3.248 6.021 1.00 0.00 H new ATOM 1767 N LEU D 36 5.782 -0.359 7.677 1.00 0.00 N ATOM 1768 CA LEU D 36 5.522 -1.367 8.700 1.00 0.00 C ATOM 1769 C LEU D 36 4.797 -2.564 8.091 1.00 0.00 C ATOM 1770 O LEU D 36 5.086 -3.712 8.428 1.00 0.00 O ATOM 1771 CB LEU D 36 4.682 -0.762 9.833 1.00 0.00 C ATOM 1772 CG LEU D 36 4.358 -1.829 10.895 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.652 -2.453 11.441 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.582 -1.169 12.041 1.00 0.00 C ATOM 0 H LEU D 36 5.335 0.542 7.846 1.00 0.00 H new ATOM 0 HA LEU D 36 6.474 -1.706 9.108 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.223 0.065 10.293 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.757 -0.351 9.428 1.00 0.00 H new ATOM 0 HG LEU D 36 3.758 -2.617 10.441 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.405 -3.205 12.190 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.203 -2.921 10.625 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.267 -1.676 11.895 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.347 -1.916 12.799 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.189 -0.380 12.485 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.657 -0.741 11.655 1.00 0.00 H new ATOM 1786 N HIS D 37 3.853 -2.290 7.195 1.00 0.00 N ATOM 1787 CA HIS D 37 3.100 -3.364 6.554 1.00 0.00 C ATOM 1788 C HIS D 37 4.050 -4.297 5.815 1.00 0.00 C ATOM 1789 O HIS D 37 3.903 -5.518 5.869 1.00 0.00 O ATOM 1790 CB HIS D 37 2.087 -2.788 5.561 1.00 0.00 C ATOM 1791 CG HIS D 37 1.286 -3.915 4.964 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.084 -4.014 5.124 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.653 -5.015 4.229 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.488 -5.135 4.503 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.531 -5.783 3.940 1.00 0.00 N ATOM 0 H HIS D 37 3.594 -1.349 6.900 1.00 0.00 H new ATOM 0 HA HIS D 37 2.568 -3.919 7.327 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.426 -2.083 6.065 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.603 -2.236 4.775 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.662 -5.248 3.922 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.514 -5.470 4.465 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.495 -6.654 3.411 1.00 0.00 H new ATOM 1803 N LEU D 38 5.023 -3.715 5.121 1.00 0.00 N ATOM 1804 CA LEU D 38 5.992 -4.504 4.363 1.00 0.00 C ATOM 1805 C LEU D 38 6.797 -5.420 5.279 1.00 0.00 C ATOM 1806 O LEU D 38 7.091 -6.557 4.916 1.00 0.00 O ATOM 1807 CB LEU D 38 6.935 -3.564 3.580 1.00 0.00 C ATOM 1808 CG LEU D 38 6.339 -3.241 2.191 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.936 -1.940 1.651 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.656 -4.380 1.203 1.00 0.00 C ATOM 0 H LEU D 38 5.162 -2.706 5.067 1.00 0.00 H new ATOM 0 HA LEU D 38 5.446 -5.133 3.660 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.088 -2.642 4.141 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.912 -4.033 3.464 1.00 0.00 H new ATOM 0 HG LEU D 38 5.259 -3.133 2.296 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.509 -1.722 0.672 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.708 -1.123 2.336 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.017 -2.046 1.560 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.232 -4.144 0.227 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.736 -4.492 1.112 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.224 -5.311 1.570 1.00 0.00 H new ATOM 1822 N ILE D 39 7.167 -4.934 6.452 1.00 0.00 N ATOM 1823 CA ILE D 39 7.951 -5.754 7.364 1.00 0.00 C ATOM 1824 C ILE D 39 7.184 -7.026 7.730 1.00 0.00 C ATOM 1825 O ILE D 39 7.730 -8.126 7.666 1.00 0.00 O ATOM 1826 CB ILE D 39 8.264 -4.963 8.637 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.172 -3.777 8.287 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.980 -5.870 9.644 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.314 -2.843 9.497 1.00 0.00 C ATOM 0 H ILE D 39 6.944 -3.998 6.791 1.00 0.00 H new ATOM 0 HA ILE D 39 8.882 -6.031 6.869 1.00 0.00 H new ATOM 0 HB ILE D 39 7.335 -4.598 9.075 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.153 -4.139 7.981 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.756 -3.228 7.442 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.202 -5.305 10.549 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.339 -6.716 9.892 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.910 -6.236 9.208 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.961 -2.005 9.236 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.332 -2.468 9.784 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.751 -3.392 10.331 1.00 0.00 H new ATOM 1841 N LEU D 40 5.922 -6.870 8.115 1.00 0.00 N ATOM 1842 CA LEU D 40 5.099 -8.018 8.489 1.00 0.00 C ATOM 1843 C LEU D 40 4.735 -8.877 7.273 1.00 0.00 C ATOM 1844 O LEU D 40 4.782 -10.106 7.338 1.00 0.00 O ATOM 1845 CB LEU D 40 3.824 -7.535 9.181 1.00 0.00 C ATOM 1846 CG LEU D 40 4.186 -6.574 10.322 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.904 -6.089 11.005 1.00 0.00 C ATOM 1848 CD2 LEU D 40 5.080 -7.289 11.351 1.00 0.00 C ATOM 0 H LEU D 40 5.448 -5.969 8.177 1.00 0.00 H new ATOM 0 HA LEU D 40 5.681 -8.637 9.172 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.176 -7.033 8.462 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.267 -8.386 9.573 1.00 0.00 H new ATOM 0 HG LEU D 40 4.728 -5.721 9.913 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.159 -5.406 11.816 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.278 -5.571 10.278 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.361 -6.944 11.408 1.00 0.00 H new ATOM 0 HD21 LEU D 40 5.331 -6.599 12.156 1.00 0.00 H new ATOM 0 HD22 LEU D 40 4.548 -8.147 11.761 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.995 -7.628 10.865 1.00 0.00 H new ATOM 1860 N TRP D 41 4.353 -8.227 6.176 1.00 0.00 N ATOM 1861 CA TRP D 41 3.962 -8.947 4.962 1.00 0.00 C ATOM 1862 C TRP D 41 5.147 -9.693 4.348 1.00 0.00 C ATOM 1863 O TRP D 41 5.041 -10.877 4.024 1.00 0.00 O ATOM 1864 CB TRP D 41 3.368 -7.957 3.950 1.00 0.00 C ATOM 1865 CG TRP D 41 3.149 -8.623 2.624 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.057 -9.349 2.280 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.008 -8.599 1.453 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.210 -9.792 0.978 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.394 -9.348 0.424 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.254 -8.006 1.184 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.996 -9.502 -0.822 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.857 -8.157 -0.073 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.227 -8.903 -1.072 1.00 0.00 C ATOM 0 H TRP D 41 4.305 -7.211 6.100 1.00 0.00 H new ATOM 0 HA TRP D 41 3.211 -9.691 5.228 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.423 -7.567 4.327 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.039 -7.106 3.829 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.208 -9.549 2.917 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.531 -10.375 0.488 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.750 -7.430 1.951 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.510 -10.084 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.813 -7.694 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.695 -9.015 -2.039 1.00 0.00 H new ATOM 1884 N ILE D 42 6.272 -9.008 4.189 1.00 0.00 N ATOM 1885 CA ILE D 42 7.456 -9.639 3.615 1.00 0.00 C ATOM 1886 C ILE D 42 7.975 -10.726 4.562 1.00 0.00 C ATOM 1887 O ILE D 42 8.356 -11.814 4.135 1.00 0.00 O ATOM 1888 CB ILE D 42 8.533 -8.562 3.331 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.423 -8.979 2.145 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.407 -8.322 4.568 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.985 -10.385 2.365 1.00 0.00 C ATOM 0 H ILE D 42 6.391 -8.028 4.445 1.00 0.00 H new ATOM 0 HA ILE D 42 7.202 -10.117 2.669 1.00 0.00 H new ATOM 0 HB ILE D 42 8.015 -7.636 3.079 1.00 0.00 H new ATOM 0 HG12 ILE D 42 8.844 -8.953 1.222 1.00 0.00 H new ATOM 0 HG13 ILE D 42 10.241 -8.268 2.029 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.155 -7.562 4.343 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.782 -7.983 5.395 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.905 -9.250 4.847 1.00 0.00 H new ATOM 0 HD11 ILE D 42 10.611 -10.663 1.517 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.581 -10.400 3.277 1.00 0.00 H new ATOM 0 HD13 ILE D 42 9.163 -11.095 2.457 1.00 0.00 H new ATOM 1903 N LEU D 43 7.972 -10.424 5.856 1.00 0.00 N ATOM 1904 CA LEU D 43 8.435 -11.378 6.859 1.00 0.00 C ATOM 1905 C LEU D 43 7.552 -12.625 6.864 1.00 0.00 C ATOM 1906 O LEU D 43 8.048 -13.745 6.988 1.00 0.00 O ATOM 1907 CB LEU D 43 8.437 -10.722 8.245 1.00 0.00 C ATOM 1908 CG LEU D 43 8.838 -11.739 9.326 1.00 0.00 C ATOM 1909 CD1 LEU D 43 10.199 -12.365 8.991 1.00 0.00 C ATOM 1910 CD2 LEU D 43 8.923 -11.022 10.677 1.00 0.00 C ATOM 0 H LEU D 43 7.656 -9.531 6.234 1.00 0.00 H new ATOM 0 HA LEU D 43 9.452 -11.680 6.609 1.00 0.00 H new ATOM 0 HB2 LEU D 43 9.131 -9.881 8.254 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.447 -10.321 8.465 1.00 0.00 H new ATOM 0 HG LEU D 43 8.090 -12.531 9.369 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.470 -13.083 9.765 1.00 0.00 H new ATOM 0 HD12 LEU D 43 10.138 -12.874 8.029 1.00 0.00 H new ATOM 0 HD13 LEU D 43 10.957 -11.583 8.940 1.00 0.00 H new ATOM 0 HD21 LEU D 43 9.207 -11.736 11.450 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.670 -10.230 10.622 1.00 0.00 H new ATOM 0 HD23 LEU D 43 7.953 -10.589 10.921 1.00 0.00 H new