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= -0.0414 K(o=-0.041,f=-2.2) USER MOD Single : A 37 HIS : no HD1:sc= -9.73! C(o=-9.7!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -0.0437 K(o=-0.044,f=-2.3) USER MOD Single : B 37 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -0.0376 K(o=-0.038,f=-2.3) USER MOD Single : C 37 HIS : no HD1:sc= -9.57! C(o=-9.6!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.0392 K(o=-0.039,f=-2.2) USER MOD Single : D 37 HIS : no HD1:sc= -9.7! C(o=-9.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.464 12.539 1.418 1.00 0.00 N ATOM 124 CA VAL A 28 -6.227 12.093 2.578 1.00 0.00 C ATOM 125 C VAL A 28 -6.844 10.722 2.318 1.00 0.00 C ATOM 126 O VAL A 28 -6.793 9.836 3.172 1.00 0.00 O ATOM 127 CB VAL A 28 -7.334 13.102 2.892 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.188 12.582 4.050 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.706 14.441 3.283 1.00 0.00 C ATOM 0 HA VAL A 28 -5.550 12.018 3.429 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.962 13.237 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.976 13.301 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.636 11.628 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.562 12.446 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.493 15.161 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.078 14.305 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.099 14.813 2.458 1.00 0.00 H new ATOM 139 N ALA A 29 -7.429 10.558 1.135 1.00 0.00 N ATOM 140 CA ALA A 29 -8.055 9.289 0.777 1.00 0.00 C ATOM 141 C ALA A 29 -7.019 8.173 0.736 1.00 0.00 C ATOM 142 O ALA A 29 -7.291 7.047 1.146 1.00 0.00 O ATOM 143 CB ALA A 29 -8.729 9.406 -0.591 1.00 0.00 C ATOM 0 H ALA A 29 -7.483 11.279 0.415 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.803 9.050 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.194 8.455 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.491 10.184 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.983 9.663 -1.343 1.00 0.00 H new ATOM 149 N ALA A 30 -5.828 8.492 0.242 1.00 0.00 N ATOM 150 CA ALA A 30 -4.766 7.500 0.156 1.00 0.00 C ATOM 151 C ALA A 30 -4.468 6.917 1.533 1.00 0.00 C ATOM 152 O ALA A 30 -4.349 5.701 1.689 1.00 0.00 O ATOM 153 CB ALA A 30 -3.500 8.136 -0.418 1.00 0.00 C ATOM 0 H ALA A 30 -5.576 9.419 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.096 6.697 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.711 7.386 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.708 8.525 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.177 8.951 0.229 1.00 0.00 H new ATOM 159 N ASN A 31 -4.350 7.787 2.529 1.00 0.00 N ATOM 160 CA ASN A 31 -4.068 7.340 3.888 1.00 0.00 C ATOM 161 C ASN A 31 -5.220 6.502 4.440 1.00 0.00 C ATOM 162 O ASN A 31 -4.999 5.475 5.080 1.00 0.00 O ATOM 163 CB ASN A 31 -3.836 8.550 4.795 1.00 0.00 C ATOM 164 CG ASN A 31 -3.526 8.084 6.215 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.036 6.972 6.411 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.782 8.874 7.222 1.00 0.00 N ATOM 0 H ASN A 31 -4.444 8.797 2.423 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.171 6.721 3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.011 9.150 4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.720 9.188 4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.576 8.570 8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.188 9.795 7.057 1.00 0.00 H new ATOM 173 N ILE A 32 -6.447 6.951 4.192 1.00 0.00 N ATOM 174 CA ILE A 32 -7.623 6.235 4.674 1.00 0.00 C ATOM 175 C ILE A 32 -7.727 4.861 4.012 1.00 0.00 C ATOM 176 O ILE A 32 -8.001 3.860 4.673 1.00 0.00 O ATOM 177 CB ILE A 32 -8.885 7.049 4.375 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.869 8.333 5.205 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.129 6.232 4.740 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.956 9.282 4.697 1.00 0.00 C ATOM 0 H ILE A 32 -6.652 7.800 3.665 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.526 6.096 5.751 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.910 7.294 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.036 8.101 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.892 8.811 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.024 6.816 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.146 5.313 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.103 5.985 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.945 10.198 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.768 9.523 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.930 8.802 4.789 1.00 0.00 H new ATOM 192 N ILE A 33 -7.508 4.828 2.700 1.00 0.00 N ATOM 193 CA ILE A 33 -7.581 3.577 1.953 1.00 0.00 C ATOM 194 C ILE A 33 -6.495 2.608 2.418 1.00 0.00 C ATOM 195 O ILE A 33 -6.748 1.417 2.598 1.00 0.00 O ATOM 196 CB ILE A 33 -7.427 3.859 0.454 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.654 4.627 -0.050 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.317 2.538 -0.314 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.358 5.207 -1.434 1.00 0.00 C ATOM 0 H ILE A 33 -7.280 5.647 2.136 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.553 3.118 2.135 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.526 4.451 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.517 3.963 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.906 5.428 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.208 2.744 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.448 1.983 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.217 1.946 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.230 5.753 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.506 5.884 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.127 4.397 -2.126 1.00 0.00 H new ATOM 211 N GLY A 34 -5.282 3.125 2.604 1.00 0.00 N ATOM 212 CA GLY A 34 -4.169 2.290 3.041 1.00 0.00 C ATOM 213 C GLY A 34 -4.452 1.669 4.404 1.00 0.00 C ATOM 214 O GLY A 34 -4.231 0.475 4.613 1.00 0.00 O ATOM 0 H GLY A 34 -5.048 4.107 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.992 1.502 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.259 2.888 3.092 1.00 0.00 H new ATOM 218 N ILE A 35 -4.947 2.484 5.328 1.00 0.00 N ATOM 219 CA ILE A 35 -5.261 2.006 6.669 1.00 0.00 C ATOM 220 C ILE A 35 -6.388 0.974 6.617 1.00 0.00 C ATOM 221 O ILE A 35 -6.337 -0.050 7.297 1.00 0.00 O ATOM 222 CB ILE A 35 -5.676 3.183 7.562 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.466 4.091 7.795 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.178 2.655 8.908 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.926 5.403 8.433 1.00 0.00 C ATOM 0 H ILE A 35 -5.139 3.474 5.175 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.371 1.534 7.087 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.472 3.746 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.744 3.593 8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.961 4.291 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.472 3.493 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.037 2.004 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.383 2.092 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.064 6.049 8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.632 5.903 7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.411 5.194 9.386 1.00 0.00 H new ATOM 237 N LEU A 36 -7.408 1.261 5.812 1.00 0.00 N ATOM 238 CA LEU A 36 -8.549 0.362 5.688 1.00 0.00 C ATOM 239 C LEU A 36 -8.090 -0.995 5.141 1.00 0.00 C ATOM 240 O LEU A 36 -8.538 -2.045 5.599 1.00 0.00 O ATOM 241 CB LEU A 36 -9.602 0.994 4.759 1.00 0.00 C ATOM 242 CG LEU A 36 -11.016 0.514 5.130 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.027 1.144 4.169 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.103 -1.017 5.047 1.00 0.00 C ATOM 0 H LEU A 36 -7.467 2.103 5.240 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.996 0.203 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.551 2.080 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.384 0.732 3.724 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.240 0.817 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.032 0.808 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.976 2.230 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.794 0.843 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.110 -1.339 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.875 -1.340 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.386 -1.460 5.738 1.00 0.00 H new ATOM 256 N HIS A 37 -7.184 -0.963 4.166 1.00 0.00 N ATOM 257 CA HIS A 37 -6.671 -2.197 3.580 1.00 0.00 C ATOM 258 C HIS A 37 -6.018 -3.056 4.654 1.00 0.00 C ATOM 259 O HIS A 37 -6.187 -4.276 4.675 1.00 0.00 O ATOM 260 CB HIS A 37 -5.637 -1.883 2.497 1.00 0.00 C ATOM 261 CG HIS A 37 -5.164 -3.172 1.879 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.371 -3.480 0.545 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.508 -4.251 2.411 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.848 -4.701 0.325 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.309 -5.213 1.431 1.00 0.00 N ATOM 0 H HIS A 37 -6.795 -0.107 3.770 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.507 -2.737 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.075 -1.239 1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.795 -1.341 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.193 -4.340 3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.863 -5.204 -0.631 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.849 -6.117 1.535 1.00 0.00 H new ATOM 273 N LEU A 38 -5.266 -2.415 5.542 1.00 0.00 N ATOM 274 CA LEU A 38 -4.581 -3.130 6.615 1.00 0.00 C ATOM 275 C LEU A 38 -5.580 -3.841 7.522 1.00 0.00 C ATOM 276 O LEU A 38 -5.324 -4.957 7.968 1.00 0.00 O ATOM 277 CB LEU A 38 -3.716 -2.148 7.436 1.00 0.00 C ATOM 278 CG LEU A 38 -2.298 -2.045 6.828 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.648 -0.721 7.225 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.422 -3.202 7.337 1.00 0.00 C ATOM 0 H LEU A 38 -5.115 -1.406 5.541 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.935 -3.885 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.185 -1.164 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.652 -2.486 8.470 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.384 -2.098 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.650 -0.661 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.254 0.107 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.575 -0.663 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.425 -3.121 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.350 -3.153 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.869 -4.152 7.045 1.00 0.00 H new ATOM 292 N ILE A 39 -6.705 -3.197 7.801 1.00 0.00 N ATOM 293 CA ILE A 39 -7.712 -3.798 8.668 1.00 0.00 C ATOM 294 C ILE A 39 -8.250 -5.086 8.044 1.00 0.00 C ATOM 295 O ILE A 39 -8.423 -6.096 8.727 1.00 0.00 O ATOM 296 CB ILE A 39 -8.859 -2.809 8.891 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.341 -1.621 9.707 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.993 -3.499 9.659 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.397 -0.511 9.745 1.00 0.00 C ATOM 0 H ILE A 39 -6.943 -2.271 7.446 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.253 -4.039 9.627 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.236 -2.462 7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.102 -1.942 10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.419 -1.242 9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.808 -2.793 9.816 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.357 -4.350 9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.621 -3.845 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.020 0.330 10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.614 -0.181 8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.309 -0.892 10.205 1.00 0.00 H new ATOM 311 N LEU A 40 -8.525 -5.044 6.751 1.00 0.00 N ATOM 312 CA LEU A 40 -9.043 -6.219 6.062 1.00 0.00 C ATOM 313 C LEU A 40 -7.943 -7.260 5.845 1.00 0.00 C ATOM 314 O LEU A 40 -8.149 -8.452 6.073 1.00 0.00 O ATOM 315 CB LEU A 40 -9.637 -5.804 4.717 1.00 0.00 C ATOM 316 CG LEU A 40 -10.844 -4.881 4.951 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.306 -4.315 3.608 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.000 -5.660 5.618 1.00 0.00 C ATOM 0 H LEU A 40 -8.401 -4.221 6.161 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.818 -6.668 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.884 -5.291 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.944 -6.686 4.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.550 -4.068 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.162 -3.659 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.493 -3.749 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.592 -5.133 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.846 -4.991 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.304 -6.483 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.666 -6.056 6.577 1.00 0.00 H new ATOM 330 N TRP A 41 -6.775 -6.799 5.391 1.00 0.00 N ATOM 331 CA TRP A 41 -5.655 -7.704 5.135 1.00 0.00 C ATOM 332 C TRP A 41 -5.152 -8.354 6.423 1.00 0.00 C ATOM 333 O TRP A 41 -4.923 -9.562 6.464 1.00 0.00 O ATOM 334 CB TRP A 41 -4.517 -6.944 4.437 1.00 0.00 C ATOM 335 CG TRP A 41 -3.290 -7.802 4.366 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.038 -8.734 3.414 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.123 -7.789 5.237 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.812 -9.317 3.671 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.207 -8.762 4.778 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.778 -7.039 6.374 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.005 -8.980 5.424 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.551 -7.254 7.020 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.335 -8.220 6.545 1.00 0.00 C ATOM 0 H TRP A 41 -6.582 -5.817 5.195 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.008 -8.502 4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.826 -6.654 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.296 -6.025 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.690 -8.981 2.589 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.405 -10.066 3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.461 -6.293 6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.687 -9.734 5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.292 -6.668 7.890 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.278 -8.380 7.046 1.00 0.00 H new ATOM 354 N ILE A 42 -4.976 -7.552 7.467 1.00 0.00 N ATOM 355 CA ILE A 42 -4.494 -8.078 8.738 1.00 0.00 C ATOM 356 C ILE A 42 -5.512 -9.045 9.329 1.00 0.00 C ATOM 357 O ILE A 42 -5.147 -10.010 10.000 1.00 0.00 O ATOM 358 CB ILE A 42 -4.230 -6.925 9.723 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.413 -7.441 10.923 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.564 -6.345 10.233 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.001 -7.865 10.487 1.00 0.00 C ATOM 0 H ILE A 42 -5.157 -6.548 7.460 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.561 -8.614 8.562 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.672 -6.145 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.344 -6.662 11.683 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.926 -8.287 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.364 -5.530 10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.143 -5.968 9.390 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.130 -7.126 10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.446 -8.225 11.353 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.073 -8.661 9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.482 -7.010 10.053 1.00 0.00 H new ATOM 373 N LEU A 43 -6.795 -8.778 9.084 1.00 0.00 N ATOM 374 CA LEU A 43 -7.855 -9.631 9.611 1.00 0.00 C ATOM 375 C LEU A 43 -7.719 -11.056 9.085 1.00 0.00 C ATOM 376 O LEU A 43 -7.808 -12.014 9.851 1.00 0.00 O ATOM 377 CB LEU A 43 -9.226 -9.058 9.217 1.00 0.00 C ATOM 378 CG LEU A 43 -10.372 -9.979 9.724 1.00 0.00 C ATOM 379 CD1 LEU A 43 -11.539 -9.131 10.251 1.00 0.00 C ATOM 380 CD2 LEU A 43 -10.895 -10.863 8.578 1.00 0.00 C ATOM 0 H LEU A 43 -7.121 -7.986 8.530 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.769 -9.657 10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.343 -8.059 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.286 -8.957 8.133 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.974 -10.605 10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.335 -9.787 10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.192 -8.507 11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.919 -8.497 9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.697 -11.502 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.276 -10.231 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.083 -11.483 8.197 1.00 0.00 H new ATOM 633 N VAL B 28 -0.288 11.607 -7.335 1.00 0.00 N ATOM 634 CA VAL B 28 -1.499 11.167 -8.015 1.00 0.00 C ATOM 635 C VAL B 28 -1.384 9.698 -8.415 1.00 0.00 C ATOM 636 O VAL B 28 -2.318 8.918 -8.224 1.00 0.00 O ATOM 637 CB VAL B 28 -1.736 12.020 -9.263 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.955 11.491 -10.023 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.983 13.471 -8.849 1.00 0.00 C ATOM 0 HA VAL B 28 -2.340 11.282 -7.331 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.859 11.970 -9.908 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.122 12.100 -10.912 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.778 10.457 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.834 11.539 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.152 14.079 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.860 13.521 -8.203 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.114 13.849 -8.311 1.00 0.00 H new ATOM 649 N ALA B 29 -0.234 9.330 -8.969 1.00 0.00 N ATOM 650 CA ALA B 29 -0.009 7.953 -9.391 1.00 0.00 C ATOM 651 C ALA B 29 -0.056 7.011 -8.194 1.00 0.00 C ATOM 652 O ALA B 29 -0.577 5.903 -8.286 1.00 0.00 O ATOM 653 CB ALA B 29 1.351 7.829 -10.081 1.00 0.00 C ATOM 0 H ALA B 29 0.551 9.960 -9.135 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.798 7.678 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.508 6.796 -10.392 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.376 8.479 -10.956 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.139 8.123 -9.388 1.00 0.00 H new ATOM 659 N ALA B 30 0.487 7.460 -7.070 1.00 0.00 N ATOM 660 CA ALA B 30 0.498 6.639 -5.867 1.00 0.00 C ATOM 661 C ALA B 30 -0.925 6.246 -5.477 1.00 0.00 C ATOM 662 O ALA B 30 -1.194 5.084 -5.169 1.00 0.00 O ATOM 663 CB ALA B 30 1.154 7.405 -4.716 1.00 0.00 C ATOM 0 H ALA B 30 0.921 8.377 -6.966 1.00 0.00 H new ATOM 0 HA ALA B 30 1.071 5.734 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.158 6.783 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.179 7.659 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.593 8.319 -4.521 1.00 0.00 H new ATOM 669 N ASN B 31 -1.829 7.218 -5.492 1.00 0.00 N ATOM 670 CA ASN B 31 -3.220 6.956 -5.139 1.00 0.00 C ATOM 671 C ASN B 31 -3.870 6.009 -6.144 1.00 0.00 C ATOM 672 O ASN B 31 -4.603 5.096 -5.766 1.00 0.00 O ATOM 673 CB ASN B 31 -4.002 8.269 -5.095 1.00 0.00 C ATOM 674 CG ASN B 31 -5.454 7.998 -4.711 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.746 7.003 -4.052 1.00 0.00 O ATOM 676 ND2 ASN B 31 -6.384 8.835 -5.084 1.00 0.00 N ATOM 0 H ASN B 31 -1.628 8.186 -5.742 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.238 6.485 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.547 8.949 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.960 8.760 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.357 8.664 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.138 9.660 -5.631 1.00 0.00 H new ATOM 683 N ILE B 32 -3.604 6.236 -7.427 1.00 0.00 N ATOM 684 CA ILE B 32 -4.175 5.398 -8.477 1.00 0.00 C ATOM 685 C ILE B 32 -3.650 3.968 -8.368 1.00 0.00 C ATOM 686 O ILE B 32 -4.410 3.006 -8.481 1.00 0.00 O ATOM 687 CB ILE B 32 -3.821 5.975 -9.851 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.523 7.322 -10.032 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.289 5.017 -10.949 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.947 8.037 -11.255 1.00 0.00 C ATOM 0 H ILE B 32 -3.001 6.987 -7.763 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.258 5.382 -8.358 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.741 6.107 -9.917 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.595 7.171 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.389 7.936 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.036 5.431 -11.925 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.797 4.053 -10.825 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.369 4.885 -10.880 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.447 8.997 -11.384 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.879 8.201 -11.111 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.104 7.424 -12.142 1.00 0.00 H new ATOM 702 N ILE B 33 -2.345 3.839 -8.152 1.00 0.00 N ATOM 703 CA ILE B 33 -1.723 2.526 -8.031 1.00 0.00 C ATOM 704 C ILE B 33 -2.257 1.787 -6.805 1.00 0.00 C ATOM 705 O ILE B 33 -2.557 0.593 -6.870 1.00 0.00 O ATOM 706 CB ILE B 33 -0.201 2.677 -7.929 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.352 3.194 -9.262 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.438 1.322 -7.619 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.792 3.674 -9.064 1.00 0.00 C ATOM 0 H ILE B 33 -1.700 4.624 -8.058 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.968 1.944 -8.919 1.00 0.00 H new ATOM 0 HB ILE B 33 0.032 3.381 -7.131 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.320 2.404 -10.012 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.267 4.011 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.520 1.437 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.050 0.945 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.200 0.617 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.186 4.042 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.810 4.477 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.407 2.845 -8.712 1.00 0.00 H new ATOM 721 N GLY B 34 -2.369 2.499 -5.689 1.00 0.00 N ATOM 722 CA GLY B 34 -2.864 1.892 -4.456 1.00 0.00 C ATOM 723 C GLY B 34 -4.286 1.375 -4.634 1.00 0.00 C ATOM 724 O GLY B 34 -4.606 0.257 -4.228 1.00 0.00 O ATOM 0 H GLY B 34 -2.127 3.487 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.209 1.072 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.838 2.625 -3.650 1.00 0.00 H new ATOM 728 N ILE B 35 -5.136 2.190 -5.249 1.00 0.00 N ATOM 729 CA ILE B 35 -6.523 1.802 -5.482 1.00 0.00 C ATOM 730 C ILE B 35 -6.591 0.608 -6.434 1.00 0.00 C ATOM 731 O ILE B 35 -7.368 -0.324 -6.222 1.00 0.00 O ATOM 732 CB ILE B 35 -7.305 2.982 -6.072 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.430 4.084 -5.018 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.706 2.518 -6.484 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.947 5.367 -5.676 1.00 0.00 C ATOM 0 H ILE B 35 -4.891 3.118 -5.594 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.968 1.516 -4.529 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.777 3.364 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.111 3.769 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.462 4.267 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.259 3.359 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.623 1.730 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.234 2.135 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.036 6.151 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.250 5.685 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.924 5.179 -6.121 1.00 0.00 H new ATOM 747 N LEU B 36 -5.782 0.653 -7.489 1.00 0.00 N ATOM 748 CA LEU B 36 -5.767 -0.418 -8.478 1.00 0.00 C ATOM 749 C LEU B 36 -5.345 -1.735 -7.816 1.00 0.00 C ATOM 750 O LEU B 36 -5.912 -2.791 -8.093 1.00 0.00 O ATOM 751 CB LEU B 36 -4.801 -0.049 -9.619 1.00 0.00 C ATOM 752 CG LEU B 36 -5.242 -0.703 -10.940 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.245 -0.335 -12.039 1.00 0.00 C ATOM 754 CD2 LEU B 36 -5.307 -2.230 -10.789 1.00 0.00 C ATOM 0 H LEU B 36 -5.132 1.416 -7.680 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.767 -0.547 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.767 1.034 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.792 -0.373 -9.366 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.235 -0.339 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.552 -0.796 -12.978 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.218 0.748 -12.158 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.253 -0.695 -11.766 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.621 -2.676 -11.733 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.323 -2.611 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.024 -2.488 -10.010 1.00 0.00 H new ATOM 766 N HIS B 37 -4.355 -1.660 -6.929 1.00 0.00 N ATOM 767 CA HIS B 37 -3.881 -2.852 -6.234 1.00 0.00 C ATOM 768 C HIS B 37 -5.022 -3.491 -5.450 1.00 0.00 C ATOM 769 O HIS B 37 -5.164 -4.714 -5.429 1.00 0.00 O ATOM 770 CB HIS B 37 -2.752 -2.492 -5.266 1.00 0.00 C ATOM 771 CG HIS B 37 -2.254 -3.748 -4.602 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.959 -4.212 -4.761 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.874 -4.654 -3.782 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.850 -5.352 -4.054 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.988 -5.665 -3.439 1.00 0.00 N ATOM 0 H HIS B 37 -3.872 -0.798 -6.678 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.508 -3.555 -6.979 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.939 -2.002 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.110 -1.787 -4.516 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.900 -4.590 -3.452 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.053 -5.942 -3.993 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.170 -6.473 -2.844 1.00 0.00 H new ATOM 783 N LEU B 38 -5.828 -2.656 -4.805 1.00 0.00 N ATOM 784 CA LEU B 38 -6.953 -3.149 -4.013 1.00 0.00 C ATOM 785 C LEU B 38 -7.943 -3.912 -4.886 1.00 0.00 C ATOM 786 O LEU B 38 -8.490 -4.926 -4.460 1.00 0.00 O ATOM 787 CB LEU B 38 -7.661 -1.967 -3.309 1.00 0.00 C ATOM 788 CG LEU B 38 -7.021 -1.710 -1.925 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.277 -0.267 -1.485 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.627 -2.662 -0.879 1.00 0.00 C ATOM 0 H LEU B 38 -5.727 -1.641 -4.813 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.568 -3.836 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.587 -1.070 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.722 -2.187 -3.192 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.948 -1.884 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.822 -0.098 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.841 0.418 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.351 -0.092 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.170 -2.474 0.092 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.702 -2.494 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.439 -3.694 -1.174 1.00 0.00 H new ATOM 802 N ILE B 39 -8.180 -3.425 -6.096 1.00 0.00 N ATOM 803 CA ILE B 39 -9.120 -4.087 -6.994 1.00 0.00 C ATOM 804 C ILE B 39 -8.633 -5.498 -7.328 1.00 0.00 C ATOM 805 O ILE B 39 -9.411 -6.451 -7.340 1.00 0.00 O ATOM 806 CB ILE B 39 -9.267 -3.271 -8.280 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.956 -1.942 -7.951 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.119 -4.048 -9.290 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.907 -1.010 -9.165 1.00 0.00 C ATOM 0 H ILE B 39 -7.742 -2.586 -6.476 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.088 -4.159 -6.499 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.283 -3.084 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.992 -2.122 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.465 -1.470 -7.100 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.222 -3.464 -10.205 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.636 -4.998 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.106 -4.235 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.399 -0.069 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.868 -0.817 -9.434 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.418 -1.480 -10.005 1.00 0.00 H new ATOM 821 N LEU B 40 -7.346 -5.625 -7.610 1.00 0.00 N ATOM 822 CA LEU B 40 -6.783 -6.928 -7.941 1.00 0.00 C ATOM 823 C LEU B 40 -6.647 -7.802 -6.693 1.00 0.00 C ATOM 824 O LEU B 40 -6.992 -8.985 -6.712 1.00 0.00 O ATOM 825 CB LEU B 40 -5.416 -6.742 -8.598 1.00 0.00 C ATOM 826 CG LEU B 40 -5.583 -6.000 -9.932 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.200 -5.647 -10.480 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.342 -6.878 -10.951 1.00 0.00 C ATOM 0 H LEU B 40 -6.678 -4.854 -7.617 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.458 -7.430 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.757 -6.179 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.947 -7.711 -8.766 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.161 -5.091 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.308 -5.120 -11.428 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.678 -5.009 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.627 -6.561 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.450 -6.335 -11.890 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.784 -7.798 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.329 -7.122 -10.557 1.00 0.00 H new ATOM 840 N TRP B 41 -6.133 -7.217 -5.611 1.00 0.00 N ATOM 841 CA TRP B 41 -5.942 -7.957 -4.367 1.00 0.00 C ATOM 842 C TRP B 41 -7.277 -8.392 -3.764 1.00 0.00 C ATOM 843 O TRP B 41 -7.432 -9.541 -3.349 1.00 0.00 O ATOM 844 CB TRP B 41 -5.155 -7.103 -3.361 1.00 0.00 C ATOM 845 CG TRP B 41 -5.143 -7.765 -2.015 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.281 -8.733 -1.624 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.988 -7.485 -0.862 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.570 -9.092 -0.321 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.609 -8.343 0.193 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.042 -6.584 -0.636 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.250 -8.307 1.426 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.684 -6.543 0.611 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.288 -7.402 1.637 1.00 0.00 C ATOM 0 H TRP B 41 -5.844 -6.240 -5.572 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.372 -8.858 -4.595 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.133 -6.962 -3.714 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.605 -6.113 -3.283 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.495 -9.156 -2.232 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.077 -9.820 0.196 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.360 -5.920 -1.426 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.945 -8.977 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.489 -5.843 0.778 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.786 -7.365 2.595 1.00 0.00 H new ATOM 864 N ILE B 42 -8.234 -7.474 -3.714 1.00 0.00 N ATOM 865 CA ILE B 42 -9.542 -7.792 -3.150 1.00 0.00 C ATOM 866 C ILE B 42 -10.244 -8.844 -4.005 1.00 0.00 C ATOM 867 O ILE B 42 -10.997 -9.669 -3.491 1.00 0.00 O ATOM 868 CB ILE B 42 -10.408 -6.520 -3.066 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.636 -6.785 -2.174 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.883 -6.108 -4.472 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.217 -7.027 -0.716 1.00 0.00 C ATOM 0 H ILE B 42 -8.133 -6.517 -4.051 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.401 -8.191 -2.145 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.809 -5.716 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.316 -5.935 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -12.181 -7.652 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.494 -5.208 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.018 -5.910 -5.105 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.474 -6.914 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.103 -7.211 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.556 -7.893 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.694 -6.149 -0.337 1.00 0.00 H new ATOM 883 N LEU B 43 -9.997 -8.801 -5.314 1.00 0.00 N ATOM 884 CA LEU B 43 -10.623 -9.752 -6.227 1.00 0.00 C ATOM 885 C LEU B 43 -10.234 -11.181 -5.873 1.00 0.00 C ATOM 886 O LEU B 43 -11.090 -12.064 -5.806 1.00 0.00 O ATOM 887 CB LEU B 43 -10.201 -9.438 -7.671 1.00 0.00 C ATOM 888 CG LEU B 43 -10.817 -10.471 -8.659 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.279 -9.764 -9.941 1.00 0.00 C ATOM 890 CD2 LEU B 43 -9.770 -11.533 -9.042 1.00 0.00 C ATOM 0 H LEU B 43 -9.376 -8.126 -5.760 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.705 -9.659 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.524 -8.432 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.114 -9.455 -7.750 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.665 -10.947 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.708 -10.496 -10.625 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.031 -9.015 -9.693 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.426 -9.279 -10.416 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.214 -12.249 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.918 -11.049 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.436 -12.054 -8.145 1.00 0.00 H new ATOM 1143 N VAL C 28 8.369 10.672 -2.178 1.00 0.00 N ATOM 1144 CA VAL C 28 8.992 9.978 -3.299 1.00 0.00 C ATOM 1145 C VAL C 28 9.250 8.516 -2.946 1.00 0.00 C ATOM 1146 O VAL C 28 8.975 7.618 -3.742 1.00 0.00 O ATOM 1147 CB VAL C 28 10.313 10.656 -3.665 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.005 9.868 -4.780 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.036 12.083 -4.148 1.00 0.00 C ATOM 0 HA VAL C 28 8.314 10.021 -4.151 1.00 0.00 H new ATOM 0 HB VAL C 28 10.959 10.685 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.946 10.354 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.203 8.852 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.360 9.837 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.977 12.568 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.388 12.051 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.545 12.647 -3.355 1.00 0.00 H new ATOM 1159 N ALA C 29 9.779 8.285 -1.749 1.00 0.00 N ATOM 1160 CA ALA C 29 10.072 6.929 -1.304 1.00 0.00 C ATOM 1161 C ALA C 29 8.790 6.112 -1.203 1.00 0.00 C ATOM 1162 O ALA C 29 8.770 4.929 -1.536 1.00 0.00 O ATOM 1163 CB ALA C 29 10.761 6.961 0.062 1.00 0.00 C ATOM 0 H ALA C 29 10.012 9.014 -1.075 1.00 0.00 H new ATOM 0 HA ALA C 29 10.734 6.465 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA C 29 10.976 5.942 0.385 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.693 7.522 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.106 7.442 0.789 1.00 0.00 H new ATOM 1169 N ALA C 30 7.719 6.748 -0.744 1.00 0.00 N ATOM 1170 CA ALA C 30 6.446 6.060 -0.606 1.00 0.00 C ATOM 1171 C ALA C 30 6.003 5.481 -1.946 1.00 0.00 C ATOM 1172 O ALA C 30 5.582 4.325 -2.025 1.00 0.00 O ATOM 1173 CB ALA C 30 5.380 7.028 -0.088 1.00 0.00 C ATOM 0 H ALA C 30 7.708 7.729 -0.464 1.00 0.00 H new ATOM 0 HA ALA C 30 6.571 5.245 0.107 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.430 6.503 0.012 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.684 7.417 0.884 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.266 7.854 -0.790 1.00 0.00 H new ATOM 1179 N ASN C 31 6.099 6.288 -2.998 1.00 0.00 N ATOM 1180 CA ASN C 31 5.705 5.838 -4.328 1.00 0.00 C ATOM 1181 C ASN C 31 6.609 4.706 -4.812 1.00 0.00 C ATOM 1182 O ASN C 31 6.137 3.726 -5.386 1.00 0.00 O ATOM 1183 CB ASN C 31 5.780 7.007 -5.313 1.00 0.00 C ATOM 1184 CG ASN C 31 5.357 6.544 -6.703 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.601 5.580 -6.834 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.797 7.177 -7.755 1.00 0.00 N ATOM 0 H ASN C 31 6.443 7.247 -2.957 1.00 0.00 H new ATOM 0 HA ASN C 31 4.682 5.466 -4.274 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.133 7.818 -4.978 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.795 7.402 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.515 6.874 -8.687 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.423 7.975 -7.645 1.00 0.00 H new ATOM 1193 N ILE C 32 7.913 4.850 -4.580 1.00 0.00 N ATOM 1194 CA ILE C 32 8.870 3.834 -5.004 1.00 0.00 C ATOM 1195 C ILE C 32 8.630 2.524 -4.252 1.00 0.00 C ATOM 1196 O ILE C 32 8.643 1.445 -4.846 1.00 0.00 O ATOM 1197 CB ILE C 32 10.296 4.325 -4.741 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.597 5.517 -5.654 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.295 3.202 -5.043 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.890 6.195 -5.196 1.00 0.00 C ATOM 0 H ILE C 32 8.326 5.653 -4.105 1.00 0.00 H new ATOM 0 HA ILE C 32 8.738 3.654 -6.071 1.00 0.00 H new ATOM 0 HB ILE C 32 10.386 4.623 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.695 5.182 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.771 6.228 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.308 3.556 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.085 2.346 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.203 2.905 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.105 7.044 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.774 6.543 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.713 5.482 -5.247 1.00 0.00 H new ATOM 1212 N ILE C 33 8.418 2.630 -2.945 1.00 0.00 N ATOM 1213 CA ILE C 33 8.180 1.452 -2.119 1.00 0.00 C ATOM 1214 C ILE C 33 6.882 0.758 -2.532 1.00 0.00 C ATOM 1215 O ILE C 33 6.830 -0.468 -2.632 1.00 0.00 O ATOM 1216 CB ILE C 33 8.110 1.859 -0.641 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.493 2.327 -0.173 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.679 0.660 0.207 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.358 3.048 1.169 1.00 0.00 C ATOM 0 H ILE C 33 8.406 3.514 -2.437 1.00 0.00 H new ATOM 0 HA ILE C 33 9.005 0.754 -2.262 1.00 0.00 H new ATOM 0 HB ILE C 33 7.387 2.666 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.164 1.473 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.933 2.994 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.631 0.954 1.255 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.697 0.318 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.402 -0.147 0.090 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.340 3.381 1.503 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.702 3.911 1.054 1.00 0.00 H new ATOM 0 HD13 ILE C 33 8.936 2.366 1.907 1.00 0.00 H new ATOM 1231 N GLY C 34 5.838 1.547 -2.764 1.00 0.00 N ATOM 1232 CA GLY C 34 4.548 0.988 -3.157 1.00 0.00 C ATOM 1233 C GLY C 34 4.659 0.231 -4.477 1.00 0.00 C ATOM 1234 O GLY C 34 4.144 -0.878 -4.611 1.00 0.00 O ATOM 0 H GLY C 34 5.858 2.564 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.186 0.317 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.815 1.789 -3.254 1.00 0.00 H new ATOM 1238 N ILE C 35 5.340 0.837 -5.444 1.00 0.00 N ATOM 1239 CA ILE C 35 5.519 0.208 -6.748 1.00 0.00 C ATOM 1240 C ILE C 35 6.352 -1.065 -6.617 1.00 0.00 C ATOM 1241 O ILE C 35 6.044 -2.087 -7.233 1.00 0.00 O ATOM 1242 CB ILE C 35 6.209 1.184 -7.710 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.263 2.349 -8.017 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.557 0.463 -9.016 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.034 3.460 -8.731 1.00 0.00 C ATOM 0 H ILE C 35 5.774 1.755 -5.351 1.00 0.00 H new ATOM 0 HA ILE C 35 4.538 -0.055 -7.144 1.00 0.00 H new ATOM 0 HB ILE C 35 7.121 1.560 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.438 2.006 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.827 2.730 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.047 1.159 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.228 -0.370 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.644 0.086 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.360 4.288 -8.949 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.844 3.810 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.448 3.075 -9.663 1.00 0.00 H new ATOM 1257 N LEU C 36 7.415 -0.991 -5.823 1.00 0.00 N ATOM 1258 CA LEU C 36 8.297 -2.136 -5.630 1.00 0.00 C ATOM 1259 C LEU C 36 7.517 -3.297 -5.002 1.00 0.00 C ATOM 1260 O LEU C 36 7.687 -4.453 -5.388 1.00 0.00 O ATOM 1261 CB LEU C 36 9.480 -1.729 -4.731 1.00 0.00 C ATOM 1262 CG LEU C 36 10.727 -2.567 -5.055 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.868 -2.150 -4.125 1.00 0.00 C ATOM 1264 CD2 LEU C 36 10.430 -4.063 -4.874 1.00 0.00 C ATOM 0 H LEU C 36 7.686 -0.155 -5.305 1.00 0.00 H new ATOM 0 HA LEU C 36 8.684 -2.463 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.701 -0.671 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.209 -1.862 -3.684 1.00 0.00 H new ATOM 0 HG LEU C 36 11.014 -2.394 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.756 -2.741 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU C 36 12.089 -1.093 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.573 -2.318 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.323 -4.642 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU C 36 10.134 -4.253 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU C 36 9.622 -4.357 -5.544 1.00 0.00 H new ATOM 1276 N HIS C 37 6.654 -2.979 -4.042 1.00 0.00 N ATOM 1277 CA HIS C 37 5.853 -4.007 -3.383 1.00 0.00 C ATOM 1278 C HIS C 37 4.999 -4.743 -4.409 1.00 0.00 C ATOM 1279 O HIS C 37 4.859 -5.965 -4.351 1.00 0.00 O ATOM 1280 CB HIS C 37 4.937 -3.377 -2.331 1.00 0.00 C ATOM 1281 CG HIS C 37 4.162 -4.467 -1.640 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.298 -4.734 -0.286 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.254 -5.378 -2.109 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.487 -5.770 0.002 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.827 -6.199 -1.073 1.00 0.00 N ATOM 0 H HIS C 37 6.492 -2.030 -3.706 1.00 0.00 H new ATOM 0 HA HIS C 37 6.531 -4.710 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.527 -2.816 -1.606 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.254 -2.670 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.919 -5.448 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.384 -6.201 0.987 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.154 -6.964 -1.124 1.00 0.00 H new ATOM 1293 N LEU C 38 4.426 -3.992 -5.344 1.00 0.00 N ATOM 1294 CA LEU C 38 3.579 -4.581 -6.376 1.00 0.00 C ATOM 1295 C LEU C 38 4.363 -5.576 -7.225 1.00 0.00 C ATOM 1296 O LEU C 38 3.836 -6.621 -7.603 1.00 0.00 O ATOM 1297 CB LEU C 38 2.981 -3.470 -7.268 1.00 0.00 C ATOM 1298 CG LEU C 38 1.639 -2.978 -6.683 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.336 -1.561 -7.170 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.497 -3.910 -7.124 1.00 0.00 C ATOM 0 H LEU C 38 4.532 -2.980 -5.409 1.00 0.00 H new ATOM 0 HA LEU C 38 2.768 -5.120 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.681 -2.637 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.828 -3.848 -8.279 1.00 0.00 H new ATOM 0 HG LEU C 38 1.718 -2.981 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.387 -1.227 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.132 -0.888 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.273 -1.556 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.445 -3.554 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.432 -3.916 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.694 -4.921 -6.767 1.00 0.00 H new ATOM 1312 N ILE C 39 5.612 -5.253 -7.532 1.00 0.00 N ATOM 1313 CA ILE C 39 6.432 -6.141 -8.349 1.00 0.00 C ATOM 1314 C ILE C 39 6.637 -7.479 -7.639 1.00 0.00 C ATOM 1315 O ILE C 39 6.548 -8.541 -8.253 1.00 0.00 O ATOM 1316 CB ILE C 39 7.790 -5.487 -8.622 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.581 -4.261 -9.516 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.710 -6.485 -9.331 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.879 -3.454 -9.614 1.00 0.00 C ATOM 0 H ILE C 39 6.076 -4.395 -7.233 1.00 0.00 H new ATOM 0 HA ILE C 39 5.920 -6.320 -9.294 1.00 0.00 H new ATOM 0 HB ILE C 39 8.248 -5.185 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.263 -4.576 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.785 -3.637 -9.110 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.675 -6.017 -9.524 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.852 -7.362 -8.699 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.259 -6.788 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.720 -2.585 -10.252 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.178 -3.124 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.664 -4.078 -10.041 1.00 0.00 H new ATOM 1331 N LEU C 40 6.920 -7.424 -6.346 1.00 0.00 N ATOM 1332 CA LEU C 40 7.132 -8.643 -5.579 1.00 0.00 C ATOM 1333 C LEU C 40 5.807 -9.360 -5.308 1.00 0.00 C ATOM 1334 O LEU C 40 5.710 -10.579 -5.458 1.00 0.00 O ATOM 1335 CB LEU C 40 7.818 -8.303 -4.256 1.00 0.00 C ATOM 1336 CG LEU C 40 9.215 -7.728 -4.535 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.811 -7.211 -3.225 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.136 -8.810 -5.139 1.00 0.00 C ATOM 0 H LEU C 40 7.007 -6.560 -5.811 1.00 0.00 H new ATOM 0 HA LEU C 40 7.767 -9.311 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.221 -7.581 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.898 -9.196 -3.636 1.00 0.00 H new ATOM 0 HG LEU C 40 9.130 -6.911 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.803 -6.801 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.168 -6.432 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.887 -8.031 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.121 -8.384 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.229 -9.641 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.709 -9.170 -6.075 1.00 0.00 H new ATOM 1350 N TRP C 41 4.792 -8.598 -4.901 1.00 0.00 N ATOM 1351 CA TRP C 41 3.485 -9.176 -4.599 1.00 0.00 C ATOM 1352 C TRP C 41 2.830 -9.759 -5.847 1.00 0.00 C ATOM 1353 O TRP C 41 2.305 -10.873 -5.816 1.00 0.00 O ATOM 1354 CB TRP C 41 2.575 -8.115 -3.963 1.00 0.00 C ATOM 1355 CG TRP C 41 1.173 -8.632 -3.850 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.702 -9.407 -2.845 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.043 -8.383 -4.734 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.633 -9.680 -3.076 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.086 -9.063 -4.223 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.111 -7.647 -5.919 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.318 -9.011 -4.868 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.356 -7.589 -6.565 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.454 -8.270 -6.039 1.00 0.00 C ATOM 0 H TRP C 41 4.849 -7.588 -4.774 1.00 0.00 H new ATOM 0 HA TRP C 41 3.632 -9.992 -3.891 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.952 -7.848 -2.976 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.587 -7.207 -4.566 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.276 -9.756 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.211 -10.265 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.735 -7.121 -6.337 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.165 -9.543 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.464 -7.015 -7.473 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.410 -8.222 -6.540 1.00 0.00 H new ATOM 1374 N ILE C 42 2.854 -9.009 -6.941 1.00 0.00 N ATOM 1375 CA ILE C 42 2.248 -9.478 -8.183 1.00 0.00 C ATOM 1376 C ILE C 42 2.991 -10.705 -8.701 1.00 0.00 C ATOM 1377 O ILE C 42 2.392 -11.590 -9.312 1.00 0.00 O ATOM 1378 CB ILE C 42 2.276 -8.362 -9.242 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.349 -8.733 -10.416 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.709 -8.167 -9.773 1.00 0.00 C ATOM 1381 CD1 ILE C 42 -0.120 -8.764 -9.968 1.00 0.00 C ATOM 0 H ILE C 42 3.281 -8.084 -6.996 1.00 0.00 H new ATOM 0 HA ILE C 42 1.212 -9.751 -7.984 1.00 0.00 H new ATOM 0 HB ILE C 42 1.933 -7.436 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.472 -8.011 -11.223 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.632 -9.707 -10.814 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.715 -7.375 -10.522 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.368 -7.893 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.059 -9.095 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.753 -9.028 -10.815 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.244 -9.504 -9.178 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.407 -7.782 -9.593 1.00 0.00 H new ATOM 1393 N LEU C 43 4.300 -10.750 -8.458 1.00 0.00 N ATOM 1394 CA LEU C 43 5.111 -11.875 -8.917 1.00 0.00 C ATOM 1395 C LEU C 43 4.629 -13.182 -8.304 1.00 0.00 C ATOM 1396 O LEU C 43 4.472 -14.180 -9.006 1.00 0.00 O ATOM 1397 CB LEU C 43 6.585 -11.635 -8.546 1.00 0.00 C ATOM 1398 CG LEU C 43 7.463 -12.844 -8.980 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.800 -12.348 -9.546 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.753 -13.756 -7.774 1.00 0.00 C ATOM 0 H LEU C 43 4.816 -10.030 -7.952 1.00 0.00 H new ATOM 0 HA LEU C 43 5.014 -11.951 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.944 -10.726 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.675 -11.481 -7.471 1.00 0.00 H new ATOM 0 HG LEU C 43 6.919 -13.402 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.407 -13.202 -9.847 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.615 -11.711 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.329 -11.778 -8.783 1.00 0.00 H new ATOM 0 HD21 LEU C 43 8.368 -14.597 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.283 -13.189 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.814 -14.128 -7.365 1.00 0.00 H new ATOM 1653 N VAL D 28 3.247 11.595 6.608 1.00 0.00 N ATOM 1654 CA VAL D 28 4.312 10.905 7.328 1.00 0.00 C ATOM 1655 C VAL D 28 3.830 9.541 7.813 1.00 0.00 C ATOM 1656 O VAL D 28 4.535 8.540 7.680 1.00 0.00 O ATOM 1657 CB VAL D 28 4.761 11.745 8.525 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.811 10.973 9.329 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.367 13.059 8.026 1.00 0.00 C ATOM 0 HA VAL D 28 5.153 10.762 6.650 1.00 0.00 H new ATOM 0 HB VAL D 28 3.902 11.957 9.161 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.130 11.573 10.181 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.381 10.037 9.685 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.671 10.759 8.694 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.687 13.659 8.878 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.226 12.845 7.389 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.620 13.610 7.455 1.00 0.00 H new ATOM 1669 N ALA D 29 2.627 9.510 8.377 1.00 0.00 N ATOM 1670 CA ALA D 29 2.065 8.261 8.881 1.00 0.00 C ATOM 1671 C ALA D 29 1.867 7.267 7.742 1.00 0.00 C ATOM 1672 O ALA D 29 2.091 6.070 7.907 1.00 0.00 O ATOM 1673 CB ALA D 29 0.720 8.528 9.561 1.00 0.00 C ATOM 0 H ALA D 29 2.027 10.326 8.496 1.00 0.00 H new ATOM 0 HA ALA D 29 2.762 7.838 9.605 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.308 7.590 9.934 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.863 9.218 10.393 1.00 0.00 H new ATOM 0 HB3 ALA D 29 0.029 8.967 8.841 1.00 0.00 H new ATOM 1679 N ALA D 30 1.450 7.768 6.587 1.00 0.00 N ATOM 1680 CA ALA D 30 1.226 6.904 5.436 1.00 0.00 C ATOM 1681 C ALA D 30 2.500 6.143 5.087 1.00 0.00 C ATOM 1682 O ALA D 30 2.465 4.934 4.853 1.00 0.00 O ATOM 1683 CB ALA D 30 0.779 7.740 4.235 1.00 0.00 C ATOM 0 H ALA D 30 1.262 8.757 6.423 1.00 0.00 H new ATOM 0 HA ALA D 30 0.445 6.186 5.687 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.614 7.087 3.378 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.147 8.261 4.479 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.552 8.469 3.991 1.00 0.00 H new ATOM 1689 N ASN D 31 3.623 6.854 5.053 1.00 0.00 N ATOM 1690 CA ASN D 31 4.898 6.229 4.730 1.00 0.00 C ATOM 1691 C ASN D 31 5.293 5.211 5.798 1.00 0.00 C ATOM 1692 O ASN D 31 5.768 4.120 5.483 1.00 0.00 O ATOM 1693 CB ASN D 31 5.988 7.297 4.616 1.00 0.00 C ATOM 1694 CG ASN D 31 7.322 6.645 4.267 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.351 5.567 3.675 1.00 0.00 O ATOM 1696 ND2 ASN D 31 8.435 7.242 4.597 1.00 0.00 N ATOM 0 H ASN D 31 3.675 7.855 5.244 1.00 0.00 H new ATOM 0 HA ASN D 31 4.791 5.711 3.777 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.718 8.024 3.850 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.075 7.842 5.556 1.00 0.00 H new ATOM 0 HD21 ASN D 31 9.331 6.815 4.364 1.00 0.00 H new ATOM 0 HD22 ASN D 31 8.408 8.136 5.088 1.00 0.00 H new ATOM 1703 N ILE D 32 5.099 5.576 7.063 1.00 0.00 N ATOM 1704 CA ILE D 32 5.444 4.686 8.166 1.00 0.00 C ATOM 1705 C ILE D 32 4.574 3.432 8.139 1.00 0.00 C ATOM 1706 O ILE D 32 5.067 2.317 8.318 1.00 0.00 O ATOM 1707 CB ILE D 32 5.256 5.416 9.500 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.277 6.550 9.606 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.469 4.440 10.659 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.905 7.461 10.776 1.00 0.00 C ATOM 0 H ILE D 32 4.708 6.474 7.347 1.00 0.00 H new ATOM 0 HA ILE D 32 6.487 4.388 8.057 1.00 0.00 H new ATOM 0 HB ILE D 32 4.245 5.822 9.548 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.277 6.141 9.753 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.299 7.122 8.678 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.334 4.964 11.605 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.746 3.627 10.588 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.479 4.032 10.611 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.632 8.270 10.853 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.912 7.880 10.610 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.905 6.884 11.701 1.00 0.00 H new ATOM 1722 N ILE D 33 3.278 3.623 7.916 1.00 0.00 N ATOM 1723 CA ILE D 33 2.344 2.504 7.868 1.00 0.00 C ATOM 1724 C ILE D 33 2.668 1.581 6.694 1.00 0.00 C ATOM 1725 O ILE D 33 2.655 0.358 6.834 1.00 0.00 O ATOM 1726 CB ILE D 33 0.909 3.031 7.742 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.512 3.751 9.034 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.052 1.863 7.506 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.761 4.566 8.793 1.00 0.00 C ATOM 0 H ILE D 33 2.852 4.538 7.766 1.00 0.00 H new ATOM 0 HA ILE D 33 2.438 1.932 8.791 1.00 0.00 H new ATOM 0 HB ILE D 33 0.856 3.724 6.902 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.347 3.026 9.831 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.320 4.406 9.361 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.070 2.242 7.417 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.224 1.345 6.588 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.005 1.170 8.345 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.044 5.079 9.712 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.580 5.301 8.009 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.567 3.900 8.486 1.00 0.00 H new ATOM 1741 N GLY D 34 2.953 2.173 5.538 1.00 0.00 N ATOM 1742 CA GLY D 34 3.269 1.387 4.349 1.00 0.00 C ATOM 1743 C GLY D 34 4.517 0.537 4.575 1.00 0.00 C ATOM 1744 O GLY D 34 4.540 -0.646 4.240 1.00 0.00 O ATOM 0 H GLY D 34 2.972 3.183 5.399 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.426 0.743 4.099 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.426 2.052 3.499 1.00 0.00 H new ATOM 1748 N ILE D 35 5.548 1.148 5.147 1.00 0.00 N ATOM 1749 CA ILE D 35 6.792 0.438 5.417 1.00 0.00 C ATOM 1750 C ILE D 35 6.562 -0.674 6.441 1.00 0.00 C ATOM 1751 O ILE D 35 7.076 -1.782 6.296 1.00 0.00 O ATOM 1752 CB ILE D 35 7.851 1.416 5.941 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.245 2.385 4.822 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.092 0.639 6.394 1.00 0.00 C ATOM 1755 CD1 ILE D 35 9.074 3.532 5.407 1.00 0.00 C ATOM 0 H ILE D 35 5.548 2.128 5.431 1.00 0.00 H new ATOM 0 HA ILE D 35 7.145 -0.009 4.488 1.00 0.00 H new ATOM 0 HB ILE D 35 7.442 1.972 6.785 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.819 1.861 4.058 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.352 2.779 4.336 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.842 1.337 6.766 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.817 -0.055 7.188 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.500 0.082 5.551 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.354 4.221 4.611 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.485 4.062 6.155 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.974 3.130 5.872 1.00 0.00 H new ATOM 1767 N LEU D 36 5.796 -0.361 7.482 1.00 0.00 N ATOM 1768 CA LEU D 36 5.515 -1.332 8.535 1.00 0.00 C ATOM 1769 C LEU D 36 4.770 -2.537 7.947 1.00 0.00 C ATOM 1770 O LEU D 36 5.053 -3.683 8.295 1.00 0.00 O ATOM 1771 CB LEU D 36 4.677 -0.663 9.641 1.00 0.00 C ATOM 1772 CG LEU D 36 4.946 -1.324 11.003 1.00 0.00 C ATOM 1773 CD1 LEU D 36 4.078 -0.648 12.068 1.00 0.00 C ATOM 1774 CD2 LEU D 36 4.623 -2.825 10.945 1.00 0.00 C ATOM 0 H LEU D 36 5.361 0.551 7.619 1.00 0.00 H new ATOM 0 HA LEU D 36 6.452 -1.683 8.968 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.917 0.399 9.693 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.617 -0.739 9.397 1.00 0.00 H new ATOM 0 HG LEU D 36 6.000 -1.207 11.255 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.264 -1.112 13.037 1.00 0.00 H new ATOM 0 HD12 LEU D 36 4.326 0.412 12.120 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.026 -0.763 11.806 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.819 -3.277 11.917 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.573 -2.961 10.686 1.00 0.00 H new ATOM 0 HD23 LEU D 36 5.248 -3.303 10.190 1.00 0.00 H new ATOM 1786 N HIS D 37 3.827 -2.270 7.048 1.00 0.00 N ATOM 1787 CA HIS D 37 3.063 -3.343 6.419 1.00 0.00 C ATOM 1788 C HIS D 37 4.002 -4.296 5.689 1.00 0.00 C ATOM 1789 O HIS D 37 3.829 -5.513 5.742 1.00 0.00 O ATOM 1790 CB HIS D 37 2.059 -2.768 5.420 1.00 0.00 C ATOM 1791 CG HIS D 37 1.256 -3.895 4.829 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.113 -4.009 5.005 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.623 -4.978 4.072 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.511 -5.126 4.369 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.508 -5.753 3.784 1.00 0.00 N ATOM 0 H HIS D 37 3.575 -1.330 6.741 1.00 0.00 H new ATOM 0 HA HIS D 37 2.526 -3.883 7.199 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.400 -2.056 5.916 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.581 -2.224 4.633 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.630 -5.196 3.748 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.533 -5.472 4.337 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.476 -6.616 3.242 1.00 0.00 H new ATOM 1803 N LEU D 38 4.991 -3.733 5.004 1.00 0.00 N ATOM 1804 CA LEU D 38 5.951 -4.541 4.256 1.00 0.00 C ATOM 1805 C LEU D 38 6.719 -5.475 5.184 1.00 0.00 C ATOM 1806 O LEU D 38 6.990 -6.619 4.825 1.00 0.00 O ATOM 1807 CB LEU D 38 6.930 -3.623 3.488 1.00 0.00 C ATOM 1808 CG LEU D 38 6.368 -3.294 2.086 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.978 -1.994 1.564 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.703 -4.431 1.104 1.00 0.00 C ATOM 0 H LEU D 38 5.150 -2.727 4.950 1.00 0.00 H new ATOM 0 HA LEU D 38 5.401 -5.153 3.541 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.091 -2.702 4.048 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.900 -4.112 3.393 1.00 0.00 H new ATOM 0 HG LEU D 38 5.287 -3.183 2.166 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.574 -1.774 0.576 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.735 -1.179 2.246 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.061 -2.101 1.498 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.303 -4.191 0.119 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.785 -4.548 1.038 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.259 -5.361 1.459 1.00 0.00 H new ATOM 1822 N ILE D 39 7.077 -4.990 6.365 1.00 0.00 N ATOM 1823 CA ILE D 39 7.822 -5.813 7.311 1.00 0.00 C ATOM 1824 C ILE D 39 6.998 -7.030 7.725 1.00 0.00 C ATOM 1825 O ILE D 39 7.511 -8.146 7.803 1.00 0.00 O ATOM 1826 CB ILE D 39 8.180 -4.982 8.549 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.179 -3.893 8.147 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.810 -5.886 9.613 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.372 -2.905 9.303 1.00 0.00 C ATOM 0 H ILE D 39 6.868 -4.046 6.689 1.00 0.00 H new ATOM 0 HA ILE D 39 8.737 -6.159 6.830 1.00 0.00 H new ATOM 0 HB ILE D 39 7.278 -4.525 8.957 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.134 -4.345 7.881 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.819 -3.366 7.264 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.063 -5.292 10.491 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.102 -6.666 9.894 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.714 -6.344 9.212 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.084 -2.134 9.008 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.417 -2.441 9.549 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.753 -3.436 10.176 1.00 0.00 H new ATOM 1841 N LEU D 40 5.721 -6.811 8.002 1.00 0.00 N ATOM 1842 CA LEU D 40 4.849 -7.906 8.404 1.00 0.00 C ATOM 1843 C LEU D 40 4.490 -8.793 7.209 1.00 0.00 C ATOM 1844 O LEU D 40 4.526 -10.021 7.303 1.00 0.00 O ATOM 1845 CB LEU D 40 3.576 -7.342 9.033 1.00 0.00 C ATOM 1846 CG LEU D 40 3.931 -6.586 10.322 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.685 -5.863 10.834 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.450 -7.563 11.401 1.00 0.00 C ATOM 0 H LEU D 40 5.269 -5.898 7.957 1.00 0.00 H new ATOM 0 HA LEU D 40 5.379 -8.518 9.133 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.077 -6.672 8.332 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.878 -8.150 9.253 1.00 0.00 H new ATOM 0 HG LEU D 40 4.718 -5.864 10.107 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.928 -5.323 11.749 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.337 -5.158 10.079 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.900 -6.591 11.039 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.696 -7.008 12.306 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.679 -8.300 11.625 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.342 -8.071 11.033 1.00 0.00 H new ATOM 1860 N TRP D 41 4.137 -8.163 6.089 1.00 0.00 N ATOM 1861 CA TRP D 41 3.760 -8.905 4.889 1.00 0.00 C ATOM 1862 C TRP D 41 4.939 -9.700 4.329 1.00 0.00 C ATOM 1863 O TRP D 41 4.794 -10.874 3.985 1.00 0.00 O ATOM 1864 CB TRP D 41 3.208 -7.945 3.828 1.00 0.00 C ATOM 1865 CG TRP D 41 3.021 -8.662 2.523 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.941 -9.405 2.185 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.903 -8.677 1.366 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.123 -9.902 0.909 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.313 -9.474 0.360 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.150 -8.085 1.094 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.938 -9.676 -0.866 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.773 -8.284 -0.146 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.168 -9.077 -1.121 1.00 0.00 C ATOM 0 H TRP D 41 4.105 -7.148 5.989 1.00 0.00 H new ATOM 0 HA TRP D 41 2.982 -9.618 5.164 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.257 -7.531 4.162 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.892 -7.107 3.695 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.078 -9.580 2.811 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.458 -10.511 0.432 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.630 -7.474 1.844 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.471 -10.295 -1.617 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.727 -7.820 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.654 -9.226 -2.074 1.00 0.00 H new ATOM 1884 N ILE D 42 6.096 -9.059 4.233 1.00 0.00 N ATOM 1885 CA ILE D 42 7.278 -9.729 3.704 1.00 0.00 C ATOM 1886 C ILE D 42 7.695 -10.870 4.629 1.00 0.00 C ATOM 1887 O ILE D 42 8.213 -11.889 4.172 1.00 0.00 O ATOM 1888 CB ILE D 42 8.436 -8.727 3.552 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.554 -9.346 2.692 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.007 -8.361 4.934 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.078 -9.564 1.246 1.00 0.00 C ATOM 0 H ILE D 42 6.242 -8.088 4.510 1.00 0.00 H new ATOM 0 HA ILE D 42 7.036 -10.139 2.723 1.00 0.00 H new ATOM 0 HB ILE D 42 8.056 -7.827 3.068 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.426 -8.692 2.697 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.866 -10.297 3.124 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.826 -7.652 4.813 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.224 -7.911 5.544 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.377 -9.261 5.425 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.885 -10.002 0.659 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.221 -10.237 1.243 1.00 0.00 H new ATOM 0 HD13 ILE D 42 8.790 -8.608 0.810 1.00 0.00 H new ATOM 1903 N LEU D 43 7.473 -10.687 5.930 1.00 0.00 N ATOM 1904 CA LEU D 43 7.842 -11.708 6.905 1.00 0.00 C ATOM 1905 C LEU D 43 7.104 -13.014 6.634 1.00 0.00 C ATOM 1906 O LEU D 43 7.710 -14.085 6.632 1.00 0.00 O ATOM 1907 CB LEU D 43 7.521 -11.211 8.323 1.00 0.00 C ATOM 1908 CG LEU D 43 7.858 -12.302 9.379 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.491 -11.659 10.620 1.00 0.00 C ATOM 1910 CD2 LEU D 43 6.580 -13.041 9.811 1.00 0.00 C ATOM 0 H LEU D 43 7.045 -9.851 6.328 1.00 0.00 H new ATOM 0 HA LEU D 43 8.912 -11.896 6.818 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.091 -10.306 8.534 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.466 -10.946 8.391 1.00 0.00 H new ATOM 0 HG LEU D 43 8.557 -13.006 8.927 1.00 0.00 H new ATOM 0 HD11 LEU D 43 8.723 -12.432 11.352 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.408 -11.143 10.335 1.00 0.00 H new ATOM 0 HD13 LEU D 43 7.793 -10.944 11.056 1.00 0.00 H new ATOM 0 HD21 LEU D 43 6.832 -13.801 10.550 1.00 0.00 H new ATOM 0 HD22 LEU D 43 5.878 -12.330 10.247 1.00 0.00 H new ATOM 0 HD23 LEU D 43 6.123 -13.516 8.943 1.00 0.00 H new