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= -3.47! C(o=-3.5!,f=-8.1!) USER MOD Single : A 37 HIS : no HD1:sc= -9.89! C(o=-9.9!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -3.75! C(o=-3.7!,f=-8.9!) USER MOD Single : B 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8!) USER MOD Single : C 37 HIS : no HD1:sc= -9.93! C(o=-9.9!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -3.73! C(o=-3.7!,f=-8.1!) USER MOD Single : D 37 HIS : no HD1:sc= -9.94! C(o=-9.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.687 12.440 0.859 1.00 0.00 N ATOM 124 CA VAL A 28 -6.314 11.933 2.073 1.00 0.00 C ATOM 125 C VAL A 28 -7.002 10.599 1.799 1.00 0.00 C ATOM 126 O VAL A 28 -6.896 9.661 2.589 1.00 0.00 O ATOM 127 CB VAL A 28 -7.337 12.942 2.597 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.009 12.384 3.855 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.626 14.258 2.930 1.00 0.00 C ATOM 0 HA VAL A 28 -5.540 11.783 2.825 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.096 13.123 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.738 13.104 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.514 11.448 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.254 12.202 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.352 14.980 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.867 14.079 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.152 14.653 2.031 1.00 0.00 H new ATOM 139 N ALA A 29 -7.711 10.522 0.677 1.00 0.00 N ATOM 140 CA ALA A 29 -8.412 9.297 0.318 1.00 0.00 C ATOM 141 C ALA A 29 -7.443 8.123 0.258 1.00 0.00 C ATOM 142 O ALA A 29 -7.755 7.027 0.720 1.00 0.00 O ATOM 143 CB ALA A 29 -9.089 9.461 -1.045 1.00 0.00 C ATOM 0 H ALA A 29 -7.814 11.285 0.008 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.165 9.099 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.611 8.540 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.804 10.283 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.335 9.677 -1.802 1.00 0.00 H new ATOM 149 N ALA A 30 -6.267 8.355 -0.310 1.00 0.00 N ATOM 150 CA ALA A 30 -5.268 7.298 -0.417 1.00 0.00 C ATOM 151 C ALA A 30 -4.860 6.801 0.966 1.00 0.00 C ATOM 152 O ALA A 30 -4.719 5.598 1.186 1.00 0.00 O ATOM 153 CB ALA A 30 -4.033 7.817 -1.154 1.00 0.00 C ATOM 0 H ALA A 30 -5.983 9.254 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.705 6.470 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.293 7.021 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.317 8.144 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.608 8.657 -0.605 1.00 0.00 H new ATOM 159 N ASN A 31 -4.672 7.733 1.896 1.00 0.00 N ATOM 160 CA ASN A 31 -4.279 7.370 3.251 1.00 0.00 C ATOM 161 C ASN A 31 -5.388 6.576 3.938 1.00 0.00 C ATOM 162 O ASN A 31 -5.121 5.584 4.620 1.00 0.00 O ATOM 163 CB ASN A 31 -3.978 8.632 4.061 1.00 0.00 C ATOM 164 CG ASN A 31 -3.535 8.261 5.472 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.891 7.198 5.980 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.769 9.079 6.138 1.00 0.00 N ATOM 0 H ASN A 31 -4.784 8.734 1.738 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.385 6.750 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.198 9.211 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.865 9.264 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.464 8.838 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.475 9.960 5.716 1.00 0.00 H new ATOM 173 N ILE A 32 -6.629 7.018 3.760 1.00 0.00 N ATOM 174 CA ILE A 32 -7.767 6.342 4.372 1.00 0.00 C ATOM 175 C ILE A 32 -7.920 4.933 3.803 1.00 0.00 C ATOM 176 O ILE A 32 -8.149 3.978 4.542 1.00 0.00 O ATOM 177 CB ILE A 32 -9.050 7.144 4.126 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.972 8.467 4.896 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.265 6.345 4.613 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.104 9.389 4.441 1.00 0.00 C ATOM 0 H ILE A 32 -6.871 7.836 3.201 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.590 6.270 5.445 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.154 7.341 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.048 8.282 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.008 8.945 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.174 6.920 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.321 5.401 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.165 6.145 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.049 10.330 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.007 9.584 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.064 8.911 4.637 1.00 0.00 H new ATOM 192 N ILE A 33 -7.788 4.816 2.486 1.00 0.00 N ATOM 193 CA ILE A 33 -7.911 3.522 1.826 1.00 0.00 C ATOM 194 C ILE A 33 -6.818 2.570 2.305 1.00 0.00 C ATOM 195 O ILE A 33 -7.080 1.398 2.572 1.00 0.00 O ATOM 196 CB ILE A 33 -7.826 3.706 0.306 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.074 4.438 -0.193 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.729 2.341 -0.380 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.838 4.921 -1.626 1.00 0.00 C ATOM 0 H ILE A 33 -7.597 5.597 1.858 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.878 3.088 2.080 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.939 4.292 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.937 3.774 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.297 5.285 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.669 2.480 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.837 1.821 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.612 1.749 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.725 5.443 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.985 5.599 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.635 4.065 -2.270 1.00 0.00 H new ATOM 211 N GLY A 34 -5.593 3.075 2.406 1.00 0.00 N ATOM 212 CA GLY A 34 -4.477 2.247 2.849 1.00 0.00 C ATOM 213 C GLY A 34 -4.726 1.685 4.246 1.00 0.00 C ATOM 214 O GLY A 34 -4.462 0.512 4.509 1.00 0.00 O ATOM 0 H GLY A 34 -5.349 4.042 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.327 1.428 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.561 2.837 2.850 1.00 0.00 H new ATOM 218 N ILE A 35 -5.234 2.528 5.139 1.00 0.00 N ATOM 219 CA ILE A 35 -5.515 2.102 6.507 1.00 0.00 C ATOM 220 C ILE A 35 -6.601 1.026 6.518 1.00 0.00 C ATOM 221 O ILE A 35 -6.498 0.032 7.238 1.00 0.00 O ATOM 222 CB ILE A 35 -5.961 3.305 7.346 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.787 4.274 7.506 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.409 2.829 8.732 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.284 5.602 8.084 1.00 0.00 C ATOM 0 H ILE A 35 -5.459 3.504 4.943 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.605 1.683 6.937 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.790 3.806 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.033 3.841 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.309 4.443 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.725 3.686 9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.242 2.133 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.579 2.328 9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.444 6.287 8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.022 6.039 7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.741 5.427 9.058 1.00 0.00 H new ATOM 237 N LEU A 36 -7.641 1.241 5.719 1.00 0.00 N ATOM 238 CA LEU A 36 -8.749 0.294 5.640 1.00 0.00 C ATOM 239 C LEU A 36 -8.259 -1.059 5.130 1.00 0.00 C ATOM 240 O LEU A 36 -8.678 -2.108 5.620 1.00 0.00 O ATOM 241 CB LEU A 36 -9.832 0.842 4.705 1.00 0.00 C ATOM 242 CG LEU A 36 -10.515 2.062 5.342 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.342 2.780 4.272 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.438 1.633 6.498 1.00 0.00 C ATOM 0 H LEU A 36 -7.740 2.060 5.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.167 0.159 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.390 1.122 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.571 0.068 4.500 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.749 2.727 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.832 3.648 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.687 3.104 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.096 2.099 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.910 2.514 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.207 0.959 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.852 1.122 7.261 1.00 0.00 H new ATOM 256 N HIS A 37 -7.365 -1.030 4.147 1.00 0.00 N ATOM 257 CA HIS A 37 -6.825 -2.262 3.589 1.00 0.00 C ATOM 258 C HIS A 37 -6.136 -3.080 4.677 1.00 0.00 C ATOM 259 O HIS A 37 -6.284 -4.300 4.736 1.00 0.00 O ATOM 260 CB HIS A 37 -5.816 -1.940 2.491 1.00 0.00 C ATOM 261 CG HIS A 37 -5.310 -3.227 1.897 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.511 -3.556 0.570 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.625 -4.283 2.443 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.959 -4.763 0.364 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.404 -5.251 1.471 1.00 0.00 N ATOM 0 H HIS A 37 -7.003 -0.175 3.724 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.649 -2.840 3.171 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.282 -1.327 1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.987 -1.362 2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.306 -4.351 3.472 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.965 -5.276 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.921 -6.143 1.582 1.00 0.00 H new ATOM 273 N LEU A 38 -5.376 -2.401 5.533 1.00 0.00 N ATOM 274 CA LEU A 38 -4.662 -3.082 6.611 1.00 0.00 C ATOM 275 C LEU A 38 -5.628 -3.792 7.544 1.00 0.00 C ATOM 276 O LEU A 38 -5.355 -4.903 7.985 1.00 0.00 O ATOM 277 CB LEU A 38 -3.799 -2.069 7.407 1.00 0.00 C ATOM 278 CG LEU A 38 -2.363 -2.024 6.844 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.684 -0.711 7.237 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.547 -3.200 7.414 1.00 0.00 C ATOM 0 H LEU A 38 -5.239 -1.391 5.503 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.009 -3.831 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.249 -1.078 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.775 -2.351 8.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.410 -2.096 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.671 -0.690 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.252 0.127 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.644 -0.633 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.533 -3.166 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.512 -3.126 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.018 -4.141 7.130 1.00 0.00 H new ATOM 292 N ILE A 39 -6.745 -3.159 7.849 1.00 0.00 N ATOM 293 CA ILE A 39 -7.717 -3.769 8.739 1.00 0.00 C ATOM 294 C ILE A 39 -8.250 -5.068 8.135 1.00 0.00 C ATOM 295 O ILE A 39 -8.389 -6.074 8.826 1.00 0.00 O ATOM 296 CB ILE A 39 -8.868 -2.795 8.985 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.346 -1.595 9.779 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.973 -3.496 9.779 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.420 -0.508 9.830 1.00 0.00 C ATOM 0 H ILE A 39 -7.001 -2.235 7.500 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.232 -4.002 9.687 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.273 -2.456 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.078 -1.903 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.441 -1.204 9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.793 -2.800 9.954 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.339 -4.353 9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.575 -3.835 10.735 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.047 0.346 10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.666 -0.192 8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.313 -0.902 10.314 1.00 0.00 H new ATOM 311 N LEU A 40 -8.561 -5.043 6.849 1.00 0.00 N ATOM 312 CA LEU A 40 -9.077 -6.231 6.184 1.00 0.00 C ATOM 313 C LEU A 40 -7.974 -7.266 5.964 1.00 0.00 C ATOM 314 O LEU A 40 -8.185 -8.463 6.171 1.00 0.00 O ATOM 315 CB LEU A 40 -9.697 -5.833 4.848 1.00 0.00 C ATOM 316 CG LEU A 40 -10.909 -4.924 5.095 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.397 -4.381 3.751 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.042 -5.705 5.790 1.00 0.00 C ATOM 0 H LEU A 40 -8.467 -4.223 6.249 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.836 -6.684 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.960 -5.316 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.003 -6.723 4.298 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.616 -4.101 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.259 -3.733 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.598 -3.811 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.683 -5.211 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.892 -5.043 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.350 -6.539 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.687 -6.087 6.747 1.00 0.00 H new ATOM 330 N TRP A 41 -6.803 -6.804 5.530 1.00 0.00 N ATOM 331 CA TRP A 41 -5.681 -7.703 5.273 1.00 0.00 C ATOM 332 C TRP A 41 -5.155 -8.325 6.567 1.00 0.00 C ATOM 333 O TRP A 41 -4.910 -9.529 6.628 1.00 0.00 O ATOM 334 CB TRP A 41 -4.558 -6.934 4.565 1.00 0.00 C ATOM 335 CG TRP A 41 -3.327 -7.784 4.488 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.070 -8.704 3.529 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.169 -7.780 5.368 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.843 -9.286 3.785 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.246 -8.741 4.902 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.836 -7.045 6.520 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -0.036 -8.964 5.554 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.614 -7.262 7.174 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.281 -8.221 6.692 1.00 0.00 C ATOM 0 H TRP A 41 -6.607 -5.819 5.350 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.032 -8.513 4.633 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.877 -6.649 3.562 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.341 -6.012 5.104 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.718 -8.944 2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.430 -10.027 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.526 -6.308 6.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.653 -9.707 5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.364 -6.686 8.053 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.219 -8.387 7.201 1.00 0.00 H new ATOM 354 N ILE A 42 -4.966 -7.499 7.590 1.00 0.00 N ATOM 355 CA ILE A 42 -4.446 -7.992 8.861 1.00 0.00 C ATOM 356 C ILE A 42 -5.429 -8.974 9.493 1.00 0.00 C ATOM 357 O ILE A 42 -5.032 -10.007 10.029 1.00 0.00 O ATOM 358 CB ILE A 42 -4.183 -6.810 9.817 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.283 -7.263 10.989 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.514 -6.283 10.374 1.00 0.00 C ATOM 361 CD1 ILE A 42 -1.804 -7.210 10.585 1.00 0.00 C ATOM 0 H ILE A 42 -5.162 -6.498 7.567 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.507 -8.513 8.677 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.680 -6.018 9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.453 -6.622 11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.548 -8.277 11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.321 -5.449 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.145 -5.947 9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.022 -7.079 10.918 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.186 -7.532 11.423 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.635 -7.871 9.735 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.538 -6.189 10.310 1.00 0.00 H new ATOM 373 N LEU A 43 -6.712 -8.642 9.420 1.00 0.00 N ATOM 374 CA LEU A 43 -7.748 -9.498 9.983 1.00 0.00 C ATOM 375 C LEU A 43 -7.776 -10.847 9.270 1.00 0.00 C ATOM 376 O LEU A 43 -7.947 -11.889 9.901 1.00 0.00 O ATOM 377 CB LEU A 43 -9.115 -8.809 9.861 1.00 0.00 C ATOM 378 CG LEU A 43 -9.279 -7.747 10.965 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.530 -6.908 10.677 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.408 -8.419 12.352 1.00 0.00 C ATOM 0 H LEU A 43 -7.059 -7.790 8.979 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.525 -9.670 11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.208 -8.342 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.911 -9.549 9.938 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.398 -7.106 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.650 -6.155 11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.424 -6.416 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.407 -7.556 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.523 -7.652 13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.280 -9.073 12.360 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.512 -9.005 12.557 1.00 0.00 H new ATOM 633 N VAL B 28 0.019 11.425 -7.448 1.00 0.00 N ATOM 634 CA VAL B 28 -1.240 10.927 -7.986 1.00 0.00 C ATOM 635 C VAL B 28 -1.083 9.485 -8.456 1.00 0.00 C ATOM 636 O VAL B 28 -1.946 8.642 -8.202 1.00 0.00 O ATOM 637 CB VAL B 28 -1.693 11.802 -9.155 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.998 11.248 -9.733 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.913 13.233 -8.659 1.00 0.00 C ATOM 0 HA VAL B 28 -1.992 10.962 -7.198 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.928 11.801 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.321 11.872 -10.566 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.837 10.229 -10.084 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.767 11.248 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.236 13.860 -9.490 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.679 13.235 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.981 13.624 -8.250 1.00 0.00 H new ATOM 649 N ALA B 29 0.018 9.205 -9.144 1.00 0.00 N ATOM 650 CA ALA B 29 0.269 7.858 -9.644 1.00 0.00 C ATOM 651 C ALA B 29 0.246 6.850 -8.501 1.00 0.00 C ATOM 652 O ALA B 29 -0.307 5.761 -8.634 1.00 0.00 O ATOM 653 CB ALA B 29 1.631 7.802 -10.339 1.00 0.00 C ATOM 0 H ALA B 29 0.745 9.885 -9.367 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.516 7.606 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.809 6.792 -10.709 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.642 8.502 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.413 8.072 -9.629 1.00 0.00 H new ATOM 659 N ALA B 30 0.847 7.217 -7.377 1.00 0.00 N ATOM 660 CA ALA B 30 0.884 6.325 -6.226 1.00 0.00 C ATOM 661 C ALA B 30 -0.529 6.014 -5.742 1.00 0.00 C ATOM 662 O ALA B 30 -0.842 4.869 -5.413 1.00 0.00 O ATOM 663 CB ALA B 30 1.681 6.970 -5.089 1.00 0.00 C ATOM 0 H ALA B 30 1.310 8.115 -7.238 1.00 0.00 H new ATOM 0 HA ALA B 30 1.367 5.396 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.703 6.296 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.700 7.165 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.208 7.909 -4.800 1.00 0.00 H new ATOM 669 N ASN B 31 -1.378 7.037 -5.701 1.00 0.00 N ATOM 670 CA ASN B 31 -2.755 6.850 -5.257 1.00 0.00 C ATOM 671 C ASN B 31 -3.519 5.950 -6.225 1.00 0.00 C ATOM 672 O ASN B 31 -4.270 5.071 -5.806 1.00 0.00 O ATOM 673 CB ASN B 31 -3.456 8.206 -5.155 1.00 0.00 C ATOM 674 CG ASN B 31 -4.890 8.027 -4.665 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.481 6.961 -4.839 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.484 9.015 -4.054 1.00 0.00 N ATOM 0 H ASN B 31 -1.141 7.993 -5.966 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.738 6.372 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -2.909 8.855 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.456 8.697 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.441 8.906 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -4.991 9.897 -3.912 1.00 0.00 H new ATOM 683 N ILE B 32 -3.321 6.177 -7.521 1.00 0.00 N ATOM 684 CA ILE B 32 -3.999 5.380 -8.539 1.00 0.00 C ATOM 685 C ILE B 32 -3.547 3.924 -8.469 1.00 0.00 C ATOM 686 O ILE B 32 -4.362 3.008 -8.545 1.00 0.00 O ATOM 687 CB ILE B 32 -3.705 5.951 -9.931 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.367 7.326 -10.062 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.269 5.013 -11.006 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.853 8.020 -11.325 1.00 0.00 C ATOM 0 H ILE B 32 -2.702 6.900 -7.889 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.072 5.420 -8.353 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.627 6.045 -10.063 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.451 7.217 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.146 7.933 -9.184 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.058 5.423 -11.994 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.804 4.032 -10.913 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.347 4.917 -10.876 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.323 8.999 -11.419 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.772 8.142 -11.259 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.097 7.414 -12.198 1.00 0.00 H new ATOM 702 N ILE B 33 -2.242 3.724 -8.319 1.00 0.00 N ATOM 703 CA ILE B 33 -1.691 2.376 -8.240 1.00 0.00 C ATOM 704 C ILE B 33 -2.229 1.649 -7.008 1.00 0.00 C ATOM 705 O ILE B 33 -2.593 0.475 -7.083 1.00 0.00 O ATOM 706 CB ILE B 33 -0.159 2.445 -8.184 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.381 2.930 -9.531 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.415 1.061 -7.876 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.852 3.323 -9.375 1.00 0.00 C ATOM 0 H ILE B 33 -1.551 4.471 -8.250 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.993 1.820 -9.128 1.00 0.00 H new ATOM 0 HB ILE B 33 0.138 3.140 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.280 2.145 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.200 3.783 -9.883 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.503 1.118 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.036 0.716 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.116 0.361 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.240 3.669 -10.333 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.939 4.122 -8.638 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.426 2.458 -9.042 1.00 0.00 H new ATOM 721 N GLY B 34 -2.274 2.346 -5.879 1.00 0.00 N ATOM 722 CA GLY B 34 -2.767 1.742 -4.646 1.00 0.00 C ATOM 723 C GLY B 34 -4.209 1.265 -4.803 1.00 0.00 C ATOM 724 O GLY B 34 -4.562 0.174 -4.356 1.00 0.00 O ATOM 0 H GLY B 34 -1.979 3.318 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.131 0.901 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.707 2.466 -3.834 1.00 0.00 H new ATOM 728 N ILE B 35 -5.036 2.089 -5.438 1.00 0.00 N ATOM 729 CA ILE B 35 -6.438 1.738 -5.647 1.00 0.00 C ATOM 730 C ILE B 35 -6.551 0.510 -6.550 1.00 0.00 C ATOM 731 O ILE B 35 -7.348 -0.394 -6.293 1.00 0.00 O ATOM 732 CB ILE B 35 -7.185 2.920 -6.278 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.251 4.072 -5.272 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.609 2.494 -6.646 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.725 5.347 -5.971 1.00 0.00 C ATOM 0 H ILE B 35 -4.764 2.997 -5.814 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.887 1.505 -4.681 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.658 3.241 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -7.931 3.818 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.269 4.234 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.136 3.336 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.570 1.670 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.136 2.172 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.770 6.163 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.028 5.606 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.716 5.183 -6.395 1.00 0.00 H new ATOM 747 N LEU B 36 -5.752 0.491 -7.611 1.00 0.00 N ATOM 748 CA LEU B 36 -5.763 -0.621 -8.555 1.00 0.00 C ATOM 749 C LEU B 36 -5.357 -1.918 -7.859 1.00 0.00 C ATOM 750 O LEU B 36 -5.935 -2.976 -8.108 1.00 0.00 O ATOM 751 CB LEU B 36 -4.803 -0.328 -9.713 1.00 0.00 C ATOM 752 CG LEU B 36 -5.348 0.818 -10.581 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.235 1.306 -11.511 1.00 0.00 C ATOM 754 CD2 LEU B 36 -6.548 0.345 -11.422 1.00 0.00 C ATOM 0 H LEU B 36 -5.089 1.232 -7.839 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.774 -0.738 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.821 -0.062 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -4.672 -1.223 -10.321 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.682 1.627 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.610 2.119 -12.132 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -3.394 1.662 -10.916 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.907 0.485 -12.148 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.917 1.173 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.236 -0.471 -12.074 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -7.342 -0.002 -10.760 1.00 0.00 H new ATOM 766 N HIS B 37 -4.365 -1.829 -6.981 1.00 0.00 N ATOM 767 CA HIS B 37 -3.901 -3.002 -6.253 1.00 0.00 C ATOM 768 C HIS B 37 -5.041 -3.610 -5.443 1.00 0.00 C ATOM 769 O HIS B 37 -5.198 -4.830 -5.396 1.00 0.00 O ATOM 770 CB HIS B 37 -2.767 -2.617 -5.308 1.00 0.00 C ATOM 771 CG HIS B 37 -2.272 -3.851 -4.607 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.978 -4.315 -4.755 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.891 -4.739 -3.762 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.863 -5.433 -4.019 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.999 -5.736 -3.392 1.00 0.00 N ATOM 0 H HIS B 37 -3.871 -0.965 -6.758 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.542 -3.734 -6.976 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.955 -2.150 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.116 -1.885 -4.580 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.918 -4.672 -3.434 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.043 -6.017 -3.944 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.175 -6.528 -2.774 1.00 0.00 H new ATOM 783 N LEU B 38 -5.831 -2.753 -4.800 1.00 0.00 N ATOM 784 CA LEU B 38 -6.950 -3.221 -3.986 1.00 0.00 C ATOM 785 C LEU B 38 -7.947 -3.999 -4.830 1.00 0.00 C ATOM 786 O LEU B 38 -8.472 -5.012 -4.383 1.00 0.00 O ATOM 787 CB LEU B 38 -7.649 -2.025 -3.296 1.00 0.00 C ATOM 788 CG LEU B 38 -7.070 -1.802 -1.885 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.345 -0.371 -1.425 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.728 -2.782 -0.894 1.00 0.00 C ATOM 0 H LEU B 38 -5.719 -1.740 -4.826 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.558 -3.890 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.518 -1.124 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.721 -2.211 -3.230 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.994 -1.973 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.932 -0.224 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.879 0.330 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.421 -0.197 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.317 -2.622 0.103 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.804 -2.611 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.529 -3.806 -1.209 1.00 0.00 H new ATOM 802 N ILE B 39 -8.214 -3.525 -6.031 1.00 0.00 N ATOM 803 CA ILE B 39 -9.164 -4.208 -6.894 1.00 0.00 C ATOM 804 C ILE B 39 -8.673 -5.619 -7.216 1.00 0.00 C ATOM 805 O ILE B 39 -9.444 -6.574 -7.193 1.00 0.00 O ATOM 806 CB ILE B 39 -9.347 -3.410 -8.183 1.00 0.00 C ATOM 807 CG1 ILE B 39 -10.035 -2.082 -7.856 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.206 -4.209 -9.165 1.00 0.00 C ATOM 809 CD1 ILE B 39 -10.011 -1.176 -9.089 1.00 0.00 C ATOM 0 H ILE B 39 -7.796 -2.684 -6.429 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.121 -4.285 -6.378 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.375 -3.216 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.064 -2.261 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.529 -1.594 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.335 -3.637 -10.084 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.714 -5.155 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.181 -4.405 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.501 -0.231 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.978 -0.987 -9.381 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.537 -1.664 -9.910 1.00 0.00 H new ATOM 821 N LEU B 40 -7.392 -5.747 -7.530 1.00 0.00 N ATOM 822 CA LEU B 40 -6.833 -7.051 -7.853 1.00 0.00 C ATOM 823 C LEU B 40 -6.682 -7.915 -6.600 1.00 0.00 C ATOM 824 O LEU B 40 -6.984 -9.109 -6.620 1.00 0.00 O ATOM 825 CB LEU B 40 -5.477 -6.864 -8.529 1.00 0.00 C ATOM 826 CG LEU B 40 -5.668 -6.139 -9.868 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.292 -5.788 -10.437 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.439 -7.028 -10.865 1.00 0.00 C ATOM 0 H LEU B 40 -6.727 -4.974 -7.568 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.515 -7.565 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.813 -6.289 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.003 -7.832 -8.692 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.249 -5.231 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.413 -5.272 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.764 -5.140 -9.738 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.718 -6.702 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.563 -6.495 -11.807 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.881 -7.948 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.419 -7.271 -10.454 1.00 0.00 H new ATOM 840 N TRP B 41 -6.201 -7.311 -5.516 1.00 0.00 N ATOM 841 CA TRP B 41 -6.003 -8.041 -4.267 1.00 0.00 C ATOM 842 C TRP B 41 -7.334 -8.464 -3.648 1.00 0.00 C ATOM 843 O TRP B 41 -7.489 -9.607 -3.217 1.00 0.00 O ATOM 844 CB TRP B 41 -5.222 -7.164 -3.278 1.00 0.00 C ATOM 845 CG TRP B 41 -5.194 -7.814 -1.928 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.309 -8.757 -1.530 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.057 -7.557 -0.785 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.595 -9.115 -0.225 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.659 -8.395 0.279 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.141 -6.688 -0.571 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.309 -8.373 1.507 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.795 -6.658 0.669 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.379 -7.500 1.704 1.00 0.00 C ATOM 0 H TRP B 41 -5.943 -6.325 -5.477 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.436 -8.945 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.205 -7.012 -3.639 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.685 -6.180 -3.207 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.510 -9.164 -2.133 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.083 -9.824 0.300 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.473 -6.039 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.988 -9.028 2.304 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.623 -5.982 0.825 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.886 -7.475 2.657 1.00 0.00 H new ATOM 864 N ILE B 42 -8.285 -7.538 -3.588 1.00 0.00 N ATOM 865 CA ILE B 42 -9.586 -7.839 -2.998 1.00 0.00 C ATOM 866 C ILE B 42 -10.307 -8.907 -3.814 1.00 0.00 C ATOM 867 O ILE B 42 -10.921 -9.818 -3.258 1.00 0.00 O ATOM 868 CB ILE B 42 -10.440 -6.555 -2.923 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.633 -6.766 -1.966 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.968 -6.199 -4.321 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.209 -6.512 -0.512 1.00 0.00 C ATOM 0 H ILE B 42 -8.183 -6.584 -3.936 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.433 -8.222 -1.989 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.818 -5.742 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.447 -6.093 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -12.013 -7.783 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.570 -5.292 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.128 -6.034 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.581 -7.018 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.063 -6.665 0.148 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.411 -7.203 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.852 -5.487 -0.411 1.00 0.00 H new ATOM 883 N LEU B 43 -10.224 -8.787 -5.134 1.00 0.00 N ATOM 884 CA LEU B 43 -10.868 -9.747 -6.022 1.00 0.00 C ATOM 885 C LEU B 43 -10.266 -11.138 -5.838 1.00 0.00 C ATOM 886 O LEU B 43 -10.982 -12.138 -5.843 1.00 0.00 O ATOM 887 CB LEU B 43 -10.707 -9.295 -7.479 1.00 0.00 C ATOM 888 CG LEU B 43 -11.723 -8.183 -7.809 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.386 -7.580 -9.179 1.00 0.00 C ATOM 890 CD2 LEU B 43 -13.162 -8.752 -7.829 1.00 0.00 C ATOM 0 H LEU B 43 -9.720 -8.039 -5.611 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.928 -9.795 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.693 -8.931 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.855 -10.142 -8.148 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.666 -7.411 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.102 -6.793 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.380 -7.160 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.436 -8.358 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.866 -7.953 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.234 -9.533 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.401 -9.171 -6.852 1.00 0.00 H new ATOM 1143 N VAL C 28 8.349 10.629 -1.702 1.00 0.00 N ATOM 1144 CA VAL C 28 8.823 9.894 -2.867 1.00 0.00 C ATOM 1145 C VAL C 28 9.176 8.459 -2.484 1.00 0.00 C ATOM 1146 O VAL C 28 8.839 7.516 -3.201 1.00 0.00 O ATOM 1147 CB VAL C 28 10.054 10.584 -3.455 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.561 9.786 -4.659 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.677 12.001 -3.897 1.00 0.00 C ATOM 0 HA VAL C 28 8.028 9.876 -3.612 1.00 0.00 H new ATOM 0 HB VAL C 28 10.840 10.636 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.439 10.278 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL C 28 10.827 8.778 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL C 28 9.779 9.733 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.553 12.496 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL C 28 8.892 11.950 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.318 12.567 -3.037 1.00 0.00 H new ATOM 1159 N ALA C 29 9.855 8.301 -1.354 1.00 0.00 N ATOM 1160 CA ALA C 29 10.246 6.976 -0.894 1.00 0.00 C ATOM 1161 C ALA C 29 9.024 6.076 -0.753 1.00 0.00 C ATOM 1162 O ALA C 29 9.060 4.905 -1.126 1.00 0.00 O ATOM 1163 CB ALA C 29 10.956 7.077 0.460 1.00 0.00 C ATOM 0 H ALA C 29 10.144 9.067 -0.745 1.00 0.00 H new ATOM 0 HA ALA C 29 10.924 6.546 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.244 6.081 0.795 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.846 7.697 0.359 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.283 7.525 1.191 1.00 0.00 H new ATOM 1169 N ALA C 30 7.944 6.627 -0.216 1.00 0.00 N ATOM 1170 CA ALA C 30 6.724 5.850 -0.036 1.00 0.00 C ATOM 1171 C ALA C 30 6.194 5.362 -1.380 1.00 0.00 C ATOM 1172 O ALA C 30 5.768 4.215 -1.507 1.00 0.00 O ATOM 1173 CB ALA C 30 5.657 6.708 0.649 1.00 0.00 C ATOM 0 H ALA C 30 7.886 7.595 0.099 1.00 0.00 H new ATOM 0 HA ALA C 30 6.956 4.986 0.587 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.748 6.121 0.781 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.022 7.034 1.623 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.440 7.580 0.032 1.00 0.00 H new ATOM 1179 N ASN C 31 6.224 6.237 -2.380 1.00 0.00 N ATOM 1180 CA ASN C 31 5.743 5.874 -3.708 1.00 0.00 C ATOM 1181 C ASN C 31 6.621 4.788 -4.321 1.00 0.00 C ATOM 1182 O ASN C 31 6.119 3.840 -4.925 1.00 0.00 O ATOM 1183 CB ASN C 31 5.743 7.106 -4.615 1.00 0.00 C ATOM 1184 CG ASN C 31 5.209 6.745 -5.995 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.290 5.590 -6.416 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.659 7.672 -6.732 1.00 0.00 N ATOM 0 H ASN C 31 6.572 7.192 -2.298 1.00 0.00 H new ATOM 0 HA ASN C 31 4.727 5.490 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.129 7.891 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.755 7.503 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.296 7.440 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.592 8.628 -6.383 1.00 0.00 H new ATOM 1193 N ILE C 32 7.934 4.933 -4.164 1.00 0.00 N ATOM 1194 CA ILE C 32 8.872 3.957 -4.712 1.00 0.00 C ATOM 1195 C ILE C 32 8.688 2.602 -4.035 1.00 0.00 C ATOM 1196 O ILE C 32 8.673 1.564 -4.695 1.00 0.00 O ATOM 1197 CB ILE C 32 10.311 4.446 -4.517 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.547 5.684 -5.386 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.295 3.344 -4.927 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.870 6.340 -4.993 1.00 0.00 C ATOM 0 H ILE C 32 8.370 5.709 -3.667 1.00 0.00 H new ATOM 0 HA ILE C 32 8.673 3.845 -5.778 1.00 0.00 H new ATOM 0 HB ILE C 32 10.467 4.696 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.567 5.403 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.727 6.391 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.316 3.697 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.129 2.460 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.140 3.090 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.037 7.221 -5.612 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.832 6.635 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.685 5.632 -5.142 1.00 0.00 H new ATOM 1212 N ILE C 33 8.544 2.621 -2.715 1.00 0.00 N ATOM 1213 CA ILE C 33 8.360 1.390 -1.957 1.00 0.00 C ATOM 1214 C ILE C 33 7.064 0.693 -2.369 1.00 0.00 C ATOM 1215 O ILE C 33 7.034 -0.525 -2.540 1.00 0.00 O ATOM 1216 CB ILE C 33 8.332 1.704 -0.456 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.723 2.153 0.000 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.921 0.458 0.333 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.625 2.787 1.387 1.00 0.00 C ATOM 0 H ILE C 33 8.551 3.470 -2.150 1.00 0.00 H new ATOM 0 HA ILE C 33 9.194 0.721 -2.170 1.00 0.00 H new ATOM 0 HB ILE C 33 7.610 2.500 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.402 1.301 0.025 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.137 2.869 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.904 0.691 1.398 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.929 0.137 0.016 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.637 -0.342 0.148 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.615 3.107 1.712 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.960 3.650 1.346 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.230 2.057 2.094 1.00 0.00 H new ATOM 1231 N GLY C 34 5.997 1.468 -2.523 1.00 0.00 N ATOM 1232 CA GLY C 34 4.711 0.899 -2.908 1.00 0.00 C ATOM 1233 C GLY C 34 4.802 0.190 -4.258 1.00 0.00 C ATOM 1234 O GLY C 34 4.260 -0.901 -4.432 1.00 0.00 O ATOM 0 H GLY C 34 5.995 2.479 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.380 0.194 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.962 1.689 -2.959 1.00 0.00 H new ATOM 1238 N ILE C 35 5.492 0.815 -5.207 1.00 0.00 N ATOM 1239 CA ILE C 35 5.647 0.230 -6.536 1.00 0.00 C ATOM 1240 C ILE C 35 6.444 -1.071 -6.456 1.00 0.00 C ATOM 1241 O ILE C 35 6.100 -2.065 -7.096 1.00 0.00 O ATOM 1242 CB ILE C 35 6.361 1.222 -7.462 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.451 2.430 -7.706 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.669 0.549 -8.800 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.248 3.549 -8.381 1.00 0.00 C ATOM 0 H ILE C 35 5.949 1.718 -5.083 1.00 0.00 H new ATOM 0 HA ILE C 35 4.658 0.010 -6.938 1.00 0.00 H new ATOM 0 HB ILE C 35 7.291 1.546 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.608 2.141 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE C 35 5.038 2.783 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.176 1.257 -9.455 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.312 -0.315 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.739 0.225 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.597 4.406 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE C 35 7.076 3.845 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.639 3.193 -9.334 1.00 0.00 H new ATOM 1257 N LEU C 36 7.513 -1.053 -5.664 1.00 0.00 N ATOM 1258 CA LEU C 36 8.363 -2.227 -5.502 1.00 0.00 C ATOM 1259 C LEU C 36 7.567 -3.379 -4.892 1.00 0.00 C ATOM 1260 O LEU C 36 7.720 -4.533 -5.295 1.00 0.00 O ATOM 1261 CB LEU C 36 9.555 -1.885 -4.603 1.00 0.00 C ATOM 1262 CG LEU C 36 10.505 -0.917 -5.325 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.488 -0.337 -4.306 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.286 -1.644 -6.437 1.00 0.00 C ATOM 0 H LEU C 36 7.810 -0.239 -5.126 1.00 0.00 H new ATOM 0 HA LEU C 36 8.728 -2.534 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.202 -1.435 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU C 36 10.089 -2.796 -4.333 1.00 0.00 H new ATOM 0 HG LEU C 36 9.919 -0.120 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.168 0.352 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.937 0.196 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.061 -1.146 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.952 -0.939 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.873 -2.452 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.586 -2.056 -7.164 1.00 0.00 H new ATOM 1276 N HIS C 37 6.716 -3.063 -3.924 1.00 0.00 N ATOM 1277 CA HIS C 37 5.904 -4.082 -3.277 1.00 0.00 C ATOM 1278 C HIS C 37 5.027 -4.792 -4.303 1.00 0.00 C ATOM 1279 O HIS C 37 4.879 -6.014 -4.266 1.00 0.00 O ATOM 1280 CB HIS C 37 5.012 -3.447 -2.214 1.00 0.00 C ATOM 1281 CG HIS C 37 4.220 -4.524 -1.528 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.350 -4.789 -0.178 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.296 -5.423 -1.997 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.527 -5.810 0.116 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.858 -6.233 -0.955 1.00 0.00 N ATOM 0 H HIS C 37 6.572 -2.116 -3.573 1.00 0.00 H new ATOM 0 HA HIS C 37 6.572 -4.805 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.619 -2.907 -1.488 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.341 -2.720 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.960 -5.491 -3.021 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.421 -6.236 1.103 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.173 -6.987 -1.001 1.00 0.00 H new ATOM 1293 N LEU C 38 4.444 -4.019 -5.217 1.00 0.00 N ATOM 1294 CA LEU C 38 3.577 -4.590 -6.246 1.00 0.00 C ATOM 1295 C LEU C 38 4.336 -5.582 -7.111 1.00 0.00 C ATOM 1296 O LEU C 38 3.801 -6.626 -7.467 1.00 0.00 O ATOM 1297 CB LEU C 38 2.976 -3.466 -7.125 1.00 0.00 C ATOM 1298 CG LEU C 38 1.596 -3.037 -6.582 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.251 -1.632 -7.079 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.517 -4.021 -7.072 1.00 0.00 C ATOM 0 H LEU C 38 4.554 -3.006 -5.267 1.00 0.00 H new ATOM 0 HA LEU C 38 2.767 -5.123 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.650 -2.609 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.877 -3.814 -8.153 1.00 0.00 H new ATOM 0 HG LEU C 38 1.631 -3.039 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.276 -1.338 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.007 -0.928 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.224 -1.628 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.456 -3.715 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.492 -4.021 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.750 -5.024 -6.714 1.00 0.00 H new ATOM 1312 N ILE C 39 5.570 -5.260 -7.454 1.00 0.00 N ATOM 1313 CA ILE C 39 6.357 -6.153 -8.286 1.00 0.00 C ATOM 1314 C ILE C 39 6.569 -7.491 -7.579 1.00 0.00 C ATOM 1315 O ILE C 39 6.456 -8.552 -8.189 1.00 0.00 O ATOM 1316 CB ILE C 39 7.706 -5.505 -8.597 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.478 -4.280 -9.486 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.603 -6.511 -9.322 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.781 -3.490 -9.611 1.00 0.00 C ATOM 0 H ILE C 39 6.044 -4.401 -7.175 1.00 0.00 H new ATOM 0 HA ILE C 39 5.821 -6.336 -9.217 1.00 0.00 H new ATOM 0 HB ILE C 39 8.191 -5.199 -7.670 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.134 -4.592 -10.472 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.697 -3.649 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.565 -6.048 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.758 -7.384 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.126 -6.819 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.618 -2.618 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.106 -3.165 -8.622 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.549 -4.123 -10.056 1.00 0.00 H new ATOM 1331 N LEU C 40 6.891 -7.440 -6.296 1.00 0.00 N ATOM 1332 CA LEU C 40 7.114 -8.664 -5.537 1.00 0.00 C ATOM 1333 C LEU C 40 5.798 -9.385 -5.246 1.00 0.00 C ATOM 1334 O LEU C 40 5.713 -10.608 -5.356 1.00 0.00 O ATOM 1335 CB LEU C 40 7.826 -8.324 -4.230 1.00 0.00 C ATOM 1336 CG LEU C 40 9.216 -7.752 -4.537 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.836 -7.239 -3.236 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.124 -8.831 -5.161 1.00 0.00 C ATOM 0 H LEU C 40 7.003 -6.578 -5.763 1.00 0.00 H new ATOM 0 HA LEU C 40 7.735 -9.334 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.241 -7.600 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.917 -9.216 -3.611 1.00 0.00 H new ATOM 0 HG LEU C 40 9.118 -6.935 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.825 -6.830 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.201 -6.460 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.924 -8.061 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.105 -8.404 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.232 -9.663 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.678 -9.190 -6.089 1.00 0.00 H new ATOM 1350 N TRP C 41 4.777 -8.622 -4.861 1.00 0.00 N ATOM 1351 CA TRP C 41 3.473 -9.204 -4.545 1.00 0.00 C ATOM 1352 C TRP C 41 2.801 -9.779 -5.792 1.00 0.00 C ATOM 1353 O TRP C 41 2.274 -10.891 -5.761 1.00 0.00 O ATOM 1354 CB TRP C 41 2.574 -8.136 -3.911 1.00 0.00 C ATOM 1355 CG TRP C 41 1.175 -8.656 -3.777 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.715 -9.412 -2.752 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.044 -8.445 -4.666 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.618 -9.700 -2.974 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.079 -9.120 -4.137 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.115 -7.742 -5.874 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.311 -9.097 -4.781 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.360 -7.713 -6.522 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.454 -8.391 -5.974 1.00 0.00 C ATOM 0 H TRP C 41 4.825 -7.608 -4.761 1.00 0.00 H new ATOM 0 HA TRP C 41 3.626 -10.022 -3.841 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.962 -7.857 -2.931 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.578 -7.235 -4.524 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.295 -9.737 -1.901 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.191 -10.272 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.727 -7.221 -6.306 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.154 -9.624 -4.358 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.473 -7.166 -7.446 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.410 -8.367 -6.476 1.00 0.00 H new ATOM 1374 N ILE C 42 2.804 -9.014 -6.877 1.00 0.00 N ATOM 1375 CA ILE C 42 2.169 -9.466 -8.112 1.00 0.00 C ATOM 1376 C ILE C 42 2.883 -10.701 -8.658 1.00 0.00 C ATOM 1377 O ILE C 42 2.244 -11.647 -9.117 1.00 0.00 O ATOM 1378 CB ILE C 42 2.187 -8.335 -9.158 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.195 -8.649 -10.301 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.600 -8.187 -9.744 1.00 0.00 C ATOM 1381 CD1 ILE C 42 -0.226 -8.209 -9.916 1.00 0.00 C ATOM 0 H ILE C 42 3.232 -8.090 -6.929 1.00 0.00 H new ATOM 0 HA ILE C 42 1.134 -9.732 -7.896 1.00 0.00 H new ATOM 0 HB ILE C 42 1.893 -7.406 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.506 -8.137 -11.212 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.205 -9.717 -10.516 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.605 -7.386 -10.483 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.302 -7.949 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.896 -9.122 -10.220 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.911 -8.438 -10.732 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.541 -8.741 -9.018 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.235 -7.136 -9.724 1.00 0.00 H new ATOM 1393 N LEU C 43 4.209 -10.680 -8.599 1.00 0.00 N ATOM 1394 CA LEU C 43 5.004 -11.802 -9.084 1.00 0.00 C ATOM 1395 C LEU C 43 4.715 -13.059 -8.269 1.00 0.00 C ATOM 1396 O LEU C 43 4.625 -14.156 -8.817 1.00 0.00 O ATOM 1397 CB LEU C 43 6.495 -11.454 -9.003 1.00 0.00 C ATOM 1398 CG LEU C 43 6.899 -10.549 -10.184 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.319 -10.015 -9.949 1.00 0.00 C ATOM 1400 CD2 LEU C 43 6.850 -11.337 -11.513 1.00 0.00 C ATOM 0 H LEU C 43 4.754 -9.904 -8.223 1.00 0.00 H new ATOM 0 HA LEU C 43 4.735 -11.997 -10.122 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.707 -10.949 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.090 -12.367 -9.016 1.00 0.00 H new ATOM 0 HG LEU C 43 6.198 -9.717 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.609 -9.374 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.343 -9.440 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.014 -10.851 -9.875 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.138 -10.682 -12.335 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.539 -12.180 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.838 -11.706 -11.680 1.00 0.00 H new ATOM 1653 N VAL D 28 2.687 11.646 6.617 1.00 0.00 N ATOM 1654 CA VAL D 28 3.791 10.900 7.205 1.00 0.00 C ATOM 1655 C VAL D 28 3.294 9.579 7.783 1.00 0.00 C ATOM 1656 O VAL D 28 3.924 8.536 7.603 1.00 0.00 O ATOM 1657 CB VAL D 28 4.451 11.728 8.309 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.588 10.924 8.942 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.005 13.021 7.708 1.00 0.00 C ATOM 0 HA VAL D 28 4.522 10.690 6.424 1.00 0.00 H new ATOM 0 HB VAL D 28 3.714 11.970 9.075 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.058 11.515 9.728 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.189 10.004 9.369 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.329 10.680 8.181 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.476 13.614 8.492 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.743 12.780 6.943 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.191 13.592 7.261 1.00 0.00 H new ATOM 1669 N ALA D 29 2.163 9.627 8.478 1.00 0.00 N ATOM 1670 CA ALA D 29 1.598 8.425 9.078 1.00 0.00 C ATOM 1671 C ALA D 29 1.367 7.357 8.017 1.00 0.00 C ATOM 1672 O ALA D 29 1.642 6.179 8.240 1.00 0.00 O ATOM 1673 CB ALA D 29 0.268 8.753 9.761 1.00 0.00 C ATOM 0 H ALA D 29 1.624 10.478 8.639 1.00 0.00 H new ATOM 0 HA ALA D 29 2.305 8.048 9.817 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.145 7.848 10.206 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.433 9.498 10.540 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.432 9.147 9.024 1.00 0.00 H new ATOM 1679 N ALA D 30 0.863 7.770 6.862 1.00 0.00 N ATOM 1680 CA ALA D 30 0.602 6.829 5.782 1.00 0.00 C ATOM 1681 C ALA D 30 1.894 6.148 5.339 1.00 0.00 C ATOM 1682 O ALA D 30 1.918 4.940 5.101 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.025 7.558 4.593 1.00 0.00 C ATOM 0 H ALA D 30 0.629 8.740 6.650 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.089 6.070 6.148 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.217 6.846 3.790 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.964 8.018 4.902 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.658 8.330 4.238 1.00 0.00 H new ATOM 1689 N ASN D 31 2.964 6.928 5.227 1.00 0.00 N ATOM 1690 CA ASN D 31 4.250 6.382 4.811 1.00 0.00 C ATOM 1691 C ASN D 31 4.783 5.402 5.853 1.00 0.00 C ATOM 1692 O ASN D 31 5.298 4.339 5.509 1.00 0.00 O ATOM 1693 CB ASN D 31 5.257 7.517 4.615 1.00 0.00 C ATOM 1694 CG ASN D 31 6.596 6.960 4.148 1.00 0.00 C ATOM 1695 OD1 ASN D 31 6.919 5.800 4.408 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.405 7.723 3.463 1.00 0.00 N ATOM 0 H ASN D 31 2.967 7.930 5.416 1.00 0.00 H new ATOM 0 HA ASN D 31 4.110 5.850 3.870 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.876 8.228 3.882 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.388 8.062 5.550 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.303 7.358 3.144 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.139 8.684 3.247 1.00 0.00 H new ATOM 1703 N ILE D 32 4.657 5.768 7.125 1.00 0.00 N ATOM 1704 CA ILE D 32 5.133 4.911 8.207 1.00 0.00 C ATOM 1705 C ILE D 32 4.342 3.606 8.244 1.00 0.00 C ATOM 1706 O ILE D 32 4.911 2.527 8.396 1.00 0.00 O ATOM 1707 CB ILE D 32 4.999 5.639 9.549 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.975 6.819 9.583 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.330 4.677 10.698 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.655 7.710 10.785 1.00 0.00 C ATOM 0 H ILE D 32 4.233 6.644 7.431 1.00 0.00 H new ATOM 0 HA ILE D 32 6.183 4.678 8.028 1.00 0.00 H new ATOM 0 HB ILE D 32 3.977 5.999 9.663 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.000 6.455 9.649 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.900 7.394 8.660 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.233 5.200 11.650 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.641 3.833 10.676 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.352 4.314 10.586 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.349 8.550 10.810 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.635 8.084 10.699 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.753 7.131 11.703 1.00 0.00 H new ATOM 1722 N ILE D 33 3.026 3.715 8.097 1.00 0.00 N ATOM 1723 CA ILE D 33 2.164 2.540 8.116 1.00 0.00 C ATOM 1724 C ILE D 33 2.499 1.612 6.948 1.00 0.00 C ATOM 1725 O ILE D 33 2.570 0.395 7.117 1.00 0.00 O ATOM 1726 CB ILE D 33 0.692 2.974 8.037 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.297 3.677 9.338 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.202 1.749 7.833 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -1.032 4.405 9.137 1.00 0.00 C ATOM 0 H ILE D 33 2.536 4.600 7.964 1.00 0.00 H new ATOM 0 HA ILE D 33 2.330 1.998 9.047 1.00 0.00 H new ATOM 0 HB ILE D 33 0.566 3.656 7.197 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.208 2.950 10.145 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.072 4.385 9.632 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.244 2.064 7.778 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.075 1.247 6.906 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.074 1.062 8.670 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.316 4.907 10.062 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.926 5.143 8.342 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.803 3.685 8.863 1.00 0.00 H new ATOM 1741 N GLY D 34 2.702 2.188 5.770 1.00 0.00 N ATOM 1742 CA GLY D 34 3.023 1.391 4.592 1.00 0.00 C ATOM 1743 C GLY D 34 4.308 0.592 4.800 1.00 0.00 C ATOM 1744 O GLY D 34 4.383 -0.583 4.443 1.00 0.00 O ATOM 0 H GLY D 34 2.651 3.193 5.605 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.200 0.711 4.374 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.134 2.044 3.727 1.00 0.00 H new ATOM 1748 N ILE D 35 5.317 1.237 5.379 1.00 0.00 N ATOM 1749 CA ILE D 35 6.593 0.573 5.629 1.00 0.00 C ATOM 1750 C ILE D 35 6.413 -0.572 6.623 1.00 0.00 C ATOM 1751 O ILE D 35 6.963 -1.660 6.444 1.00 0.00 O ATOM 1752 CB ILE D 35 7.608 1.585 6.175 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.941 2.606 5.084 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.891 0.858 6.588 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.716 3.779 5.688 1.00 0.00 C ATOM 0 H ILE D 35 5.277 2.210 5.682 1.00 0.00 H new ATOM 0 HA ILE D 35 6.964 0.163 4.690 1.00 0.00 H new ATOM 0 HB ILE D 35 7.182 2.092 7.041 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.532 2.133 4.300 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.024 2.966 4.618 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.610 1.580 6.975 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.661 0.125 7.361 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.317 0.351 5.722 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.950 4.502 4.906 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.110 4.259 6.456 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.642 3.413 6.132 1.00 0.00 H new ATOM 1767 N LEU D 36 5.643 -0.316 7.675 1.00 0.00 N ATOM 1768 CA LEU D 36 5.393 -1.322 8.702 1.00 0.00 C ATOM 1769 C LEU D 36 4.678 -2.529 8.101 1.00 0.00 C ATOM 1770 O LEU D 36 4.987 -3.675 8.435 1.00 0.00 O ATOM 1771 CB LEU D 36 4.542 -0.717 9.821 1.00 0.00 C ATOM 1772 CG LEU D 36 5.355 0.327 10.604 1.00 0.00 C ATOM 1773 CD1 LEU D 36 4.401 1.139 11.483 1.00 0.00 C ATOM 1774 CD2 LEU D 36 6.414 -0.357 11.491 1.00 0.00 C ATOM 0 H LEU D 36 5.181 0.579 7.839 1.00 0.00 H new ATOM 0 HA LEU D 36 6.348 -1.651 9.112 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.651 -0.252 9.399 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.202 -1.504 10.495 1.00 0.00 H new ATOM 0 HG LEU D 36 5.868 0.980 9.898 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.967 1.883 12.043 1.00 0.00 H new ATOM 0 HD12 LEU D 36 3.665 1.641 10.854 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.890 0.472 12.178 1.00 0.00 H new ATOM 0 HD21 LEU D 36 6.977 0.401 12.036 1.00 0.00 H new ATOM 0 HD22 LEU D 36 5.920 -1.022 12.200 1.00 0.00 H new ATOM 0 HD23 LEU D 36 7.094 -0.935 10.865 1.00 0.00 H new ATOM 1786 N HIS D 37 3.729 -2.271 7.208 1.00 0.00 N ATOM 1787 CA HIS D 37 2.987 -3.349 6.569 1.00 0.00 C ATOM 1788 C HIS D 37 3.939 -4.276 5.819 1.00 0.00 C ATOM 1789 O HIS D 37 3.797 -5.498 5.868 1.00 0.00 O ATOM 1790 CB HIS D 37 1.972 -2.774 5.586 1.00 0.00 C ATOM 1791 CG HIS D 37 1.187 -3.901 4.976 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.179 -4.025 5.146 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.565 -4.974 4.208 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.568 -5.135 4.497 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.456 -5.751 3.906 1.00 0.00 N ATOM 0 H HIS D 37 3.458 -1.333 6.913 1.00 0.00 H new ATOM 0 HA HIS D 37 2.468 -3.914 7.343 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.302 -2.083 6.098 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.482 -2.206 4.808 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.575 -5.182 3.887 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.589 -5.486 4.459 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.430 -6.607 3.352 1.00 0.00 H new ATOM 1803 N LEU D 38 4.907 -3.686 5.120 1.00 0.00 N ATOM 1804 CA LEU D 38 5.875 -4.474 4.356 1.00 0.00 C ATOM 1805 C LEU D 38 6.662 -5.403 5.266 1.00 0.00 C ATOM 1806 O LEU D 38 6.921 -6.544 4.903 1.00 0.00 O ATOM 1807 CB LEU D 38 6.837 -3.539 3.582 1.00 0.00 C ATOM 1808 CG LEU D 38 6.313 -3.287 2.153 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.922 -2.001 1.588 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.704 -4.468 1.241 1.00 0.00 C ATOM 0 H LEU D 38 5.042 -2.676 5.066 1.00 0.00 H new ATOM 0 HA LEU D 38 5.325 -5.086 3.641 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.937 -2.591 4.111 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.830 -3.986 3.538 1.00 0.00 H new ATOM 0 HG LEU D 38 5.228 -3.190 2.190 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.545 -1.833 0.579 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.647 -1.159 2.223 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.008 -2.095 1.559 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.333 -4.287 0.232 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.789 -4.565 1.216 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.267 -5.388 1.629 1.00 0.00 H new ATOM 1822 N ILE D 39 7.047 -4.918 6.431 1.00 0.00 N ATOM 1823 CA ILE D 39 7.810 -5.740 7.354 1.00 0.00 C ATOM 1824 C ILE D 39 6.995 -6.962 7.776 1.00 0.00 C ATOM 1825 O ILE D 39 7.514 -8.074 7.836 1.00 0.00 O ATOM 1826 CB ILE D 39 8.190 -4.914 8.581 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.178 -3.820 8.160 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.841 -5.818 9.629 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.385 -2.845 9.319 1.00 0.00 C ATOM 0 H ILE D 39 6.848 -3.973 6.759 1.00 0.00 H new ATOM 0 HA ILE D 39 8.717 -6.084 6.857 1.00 0.00 H new ATOM 0 HB ILE D 39 7.297 -4.459 9.008 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.130 -4.266 7.872 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.798 -3.289 7.287 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.111 -5.226 10.503 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.139 -6.599 9.922 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.737 -6.275 9.209 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.088 -2.067 9.019 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.431 -2.389 9.586 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.784 -3.382 10.180 1.00 0.00 H new ATOM 1841 N LEU D 40 5.726 -6.753 8.086 1.00 0.00 N ATOM 1842 CA LEU D 40 4.869 -7.854 8.502 1.00 0.00 C ATOM 1843 C LEU D 40 4.502 -8.749 7.318 1.00 0.00 C ATOM 1844 O LEU D 40 4.509 -9.976 7.430 1.00 0.00 O ATOM 1845 CB LEU D 40 3.604 -7.295 9.148 1.00 0.00 C ATOM 1846 CG LEU D 40 3.975 -6.536 10.429 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.730 -5.822 10.956 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.517 -7.507 11.499 1.00 0.00 C ATOM 0 H LEU D 40 5.269 -5.842 8.059 1.00 0.00 H new ATOM 0 HA LEU D 40 5.413 -8.463 9.224 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.092 -6.629 8.453 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.913 -8.105 9.380 1.00 0.00 H new ATOM 0 HG LEU D 40 4.755 -5.809 10.204 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.981 -5.278 11.867 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.366 -5.122 10.204 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.954 -6.556 11.173 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.774 -6.949 12.399 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.754 -8.249 11.737 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.406 -8.010 11.117 1.00 0.00 H new ATOM 1860 N TRP D 41 4.168 -8.131 6.188 1.00 0.00 N ATOM 1861 CA TRP D 41 3.787 -8.882 4.994 1.00 0.00 C ATOM 1862 C TRP D 41 4.972 -9.663 4.423 1.00 0.00 C ATOM 1863 O TRP D 41 4.840 -10.838 4.082 1.00 0.00 O ATOM 1864 CB TRP D 41 3.233 -7.922 3.935 1.00 0.00 C ATOM 1865 CG TRP D 41 3.037 -8.646 2.638 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.948 -9.375 2.304 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.928 -8.692 1.487 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.125 -9.890 1.035 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.327 -9.489 0.486 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.188 -8.129 1.219 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.954 -9.719 -0.734 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.816 -8.355 -0.014 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.201 -9.148 -0.986 1.00 0.00 C ATOM 0 H TRP D 41 4.153 -7.118 6.074 1.00 0.00 H new ATOM 0 HA TRP D 41 3.018 -9.601 5.276 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.286 -7.502 4.273 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.920 -7.087 3.795 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.081 -9.529 2.929 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.451 -10.492 0.562 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.674 -7.520 1.966 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.478 -10.336 -1.482 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.781 -7.913 -0.214 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.692 -9.319 -1.933 1.00 0.00 H new ATOM 1884 N ILE D 42 6.117 -9.000 4.304 1.00 0.00 N ATOM 1885 CA ILE D 42 7.300 -9.652 3.751 1.00 0.00 C ATOM 1886 C ILE D 42 7.749 -10.797 4.653 1.00 0.00 C ATOM 1887 O ILE D 42 8.118 -11.870 4.174 1.00 0.00 O ATOM 1888 CB ILE D 42 8.440 -8.625 3.584 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.536 -9.190 2.658 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.052 -8.299 4.956 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.173 -8.952 1.186 1.00 0.00 C ATOM 0 H ILE D 42 6.252 -8.027 4.578 1.00 0.00 H new ATOM 0 HA ILE D 42 7.048 -10.062 2.773 1.00 0.00 H new ATOM 0 HB ILE D 42 8.030 -7.717 3.141 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.491 -8.716 2.884 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.659 -10.258 2.840 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.856 -7.574 4.833 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.284 -7.882 5.607 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.450 -9.210 5.402 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.958 -9.357 0.548 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.229 -9.447 0.959 1.00 0.00 H new ATOM 0 HD13 ILE D 42 9.074 -7.882 1.004 1.00 0.00 H new ATOM 1903 N LEU D 43 7.711 -10.561 5.959 1.00 0.00 N ATOM 1904 CA LEU D 43 8.111 -11.577 6.924 1.00 0.00 C ATOM 1905 C LEU D 43 7.188 -12.791 6.839 1.00 0.00 C ATOM 1906 O LEU D 43 7.642 -13.932 6.927 1.00 0.00 O ATOM 1907 CB LEU D 43 8.078 -10.990 8.342 1.00 0.00 C ATOM 1908 CG LEU D 43 9.337 -10.137 8.594 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.166 -9.365 9.910 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.594 -11.034 8.673 1.00 0.00 C ATOM 0 H LEU D 43 7.409 -9.679 6.373 1.00 0.00 H new ATOM 0 HA LEU D 43 9.126 -11.898 6.692 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.184 -10.379 8.470 1.00 0.00 H new ATOM 0 HB3 LEU D 43 8.022 -11.794 9.075 1.00 0.00 H new ATOM 0 HG LEU D 43 9.465 -9.438 7.768 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.053 -8.759 10.094 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.292 -8.717 9.841 1.00 0.00 H new ATOM 0 HD13 LEU D 43 9.031 -10.070 10.730 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.473 -10.414 8.851 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.481 -11.747 9.490 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.715 -11.574 7.734 1.00 0.00 H new