USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 436 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 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : B 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 113 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : B 114 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 8 12.100 -9.528 -5.519 1.00 0.00 N ATOM 101 CA LEU A 8 12.667 -10.864 -5.661 1.00 0.00 C ATOM 102 C LEU A 8 11.738 -11.767 -6.466 1.00 0.00 C ATOM 103 O LEU A 8 12.184 -12.522 -7.331 1.00 0.00 O ATOM 104 CB LEU A 8 12.928 -11.478 -4.285 1.00 0.00 C ATOM 105 CG LEU A 8 14.294 -11.183 -3.666 1.00 0.00 C ATOM 106 CD1 LEU A 8 14.379 -11.756 -2.260 1.00 0.00 C ATOM 107 CD2 LEU A 8 15.408 -11.742 -4.539 1.00 0.00 C ATOM 0 HA LEU A 8 13.612 -10.776 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.157 -11.125 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.813 -12.559 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 8 14.416 -10.102 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.359 -11.536 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.605 -11.308 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.234 -12.836 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.373 -11.522 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.289 -12.821 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.361 -11.283 -5.527 1.00 0.00 H new ATOM 119 N PHE A 9 10.444 -11.683 -6.177 1.00 0.00 N ATOM 120 CA PHE A 9 9.450 -12.492 -6.875 1.00 0.00 C ATOM 121 C PHE A 9 9.618 -12.374 -8.387 1.00 0.00 C ATOM 122 O PHE A 9 9.458 -13.351 -9.118 1.00 0.00 O ATOM 123 CB PHE A 9 8.038 -12.062 -6.472 1.00 0.00 C ATOM 124 CG PHE A 9 7.447 -12.900 -5.374 1.00 0.00 C ATOM 125 CD1 PHE A 9 7.168 -14.241 -5.581 1.00 0.00 C ATOM 126 CD2 PHE A 9 7.171 -12.346 -4.134 1.00 0.00 C ATOM 127 CE1 PHE A 9 6.625 -15.015 -4.573 1.00 0.00 C ATOM 128 CE2 PHE A 9 6.628 -13.114 -3.122 1.00 0.00 C ATOM 129 CZ PHE A 9 6.353 -14.450 -3.342 1.00 0.00 C ATOM 0 H PHE A 9 10.058 -11.063 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 9 9.600 -13.533 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.062 -11.021 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.388 -12.111 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.377 -14.687 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.383 -11.302 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.414 -16.060 -4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.419 -12.670 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.926 -15.052 -2.553 1.00 0.00 H new ATOM 139 N PHE A 10 9.941 -11.170 -8.848 1.00 0.00 N ATOM 140 CA PHE A 10 10.129 -10.923 -10.273 1.00 0.00 C ATOM 141 C PHE A 10 11.514 -11.375 -10.725 1.00 0.00 C ATOM 142 O PHE A 10 11.716 -11.723 -11.889 1.00 0.00 O ATOM 143 CB PHE A 10 9.938 -9.437 -10.584 1.00 0.00 C ATOM 144 CG PHE A 10 10.369 -9.055 -11.971 1.00 0.00 C ATOM 145 CD1 PHE A 10 9.477 -9.114 -13.029 1.00 0.00 C ATOM 146 CD2 PHE A 10 11.667 -8.636 -12.216 1.00 0.00 C ATOM 147 CE1 PHE A 10 9.872 -8.763 -14.307 1.00 0.00 C ATOM 148 CE2 PHE A 10 12.068 -8.284 -13.491 1.00 0.00 C ATOM 149 CZ PHE A 10 11.168 -8.346 -14.538 1.00 0.00 C ATOM 0 H PHE A 10 10.078 -10.351 -8.256 1.00 0.00 H new ATOM 0 HA PHE A 10 9.382 -11.500 -10.818 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.887 -9.179 -10.455 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.502 -8.847 -9.861 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.462 -9.438 -12.854 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.374 -8.584 -11.401 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.167 -8.815 -15.124 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.083 -7.961 -13.669 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.478 -8.069 -15.535 1.00 0.00 H new ATOM 159 N MET A 11 12.465 -11.367 -9.797 1.00 0.00 N ATOM 160 CA MET A 11 13.832 -11.776 -10.099 1.00 0.00 C ATOM 161 C MET A 11 13.908 -13.281 -10.336 1.00 0.00 C ATOM 162 O MET A 11 14.638 -13.745 -11.213 1.00 0.00 O ATOM 163 CB MET A 11 14.770 -11.379 -8.959 1.00 0.00 C ATOM 164 CG MET A 11 15.379 -9.996 -9.127 1.00 0.00 C ATOM 165 SD MET A 11 16.255 -9.440 -7.652 1.00 0.00 S ATOM 166 CE MET A 11 15.507 -7.832 -7.400 1.00 0.00 C ATOM 0 H MET A 11 12.314 -11.082 -8.829 1.00 0.00 H new ATOM 0 HA MET A 11 14.145 -11.266 -11.010 1.00 0.00 H new ATOM 0 HB2 MET A 11 14.220 -11.413 -8.018 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.572 -12.114 -8.886 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.068 -10.007 -9.972 1.00 0.00 H new ATOM 0 HG3 MET A 11 14.591 -9.283 -9.367 1.00 0.00 H new ATOM 0 HE1 MET A 11 15.946 -7.360 -6.521 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.686 -7.207 -8.275 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.434 -7.949 -7.251 1.00 0.00 H new ATOM 176 N ILE A 12 13.152 -14.039 -9.549 1.00 0.00 N ATOM 177 CA ILE A 12 13.135 -15.491 -9.674 1.00 0.00 C ATOM 178 C ILE A 12 12.320 -15.929 -10.886 1.00 0.00 C ATOM 179 O ILE A 12 12.782 -16.725 -11.702 1.00 0.00 O ATOM 180 CB ILE A 12 12.555 -16.158 -8.412 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.472 -15.912 -7.212 1.00 0.00 C ATOM 182 CG2 ILE A 12 12.362 -17.649 -8.642 1.00 0.00 C ATOM 183 CD1 ILE A 12 12.838 -15.065 -6.131 1.00 0.00 C ATOM 0 H ILE A 12 12.543 -13.671 -8.818 1.00 0.00 H new ATOM 0 HA ILE A 12 14.170 -15.809 -9.801 1.00 0.00 H new ATOM 0 HB ILE A 12 11.582 -15.715 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.764 -16.872 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.384 -15.425 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.952 -18.106 -7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.674 -17.803 -9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.322 -18.108 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.545 -14.932 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.571 -14.091 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.941 -15.561 -5.759 1.00 0.00 H new ATOM 195 N ASN A 13 11.106 -15.400 -10.999 1.00 0.00 N ATOM 196 CA ASN A 13 10.227 -15.735 -12.113 1.00 0.00 C ATOM 197 C ASN A 13 10.941 -15.539 -13.447 1.00 0.00 C ATOM 198 O ASN A 13 11.059 -16.470 -14.245 1.00 0.00 O ATOM 199 CB ASN A 13 8.961 -14.877 -12.067 1.00 0.00 C ATOM 200 CG ASN A 13 7.875 -15.494 -11.208 1.00 0.00 C ATOM 201 OD1 ASN A 13 6.760 -15.731 -11.673 1.00 0.00 O ATOM 202 ND2 ASN A 13 8.196 -15.756 -9.947 1.00 0.00 N ATOM 0 H ASN A 13 10.709 -14.738 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 13 9.949 -16.785 -12.021 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.209 -13.889 -11.680 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.583 -14.737 -13.080 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.506 -16.171 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.133 -15.543 -9.604 1.00 0.00 H new ATOM 209 N THR A 14 11.416 -14.320 -13.684 1.00 0.00 N ATOM 210 CA THR A 14 12.117 -14.000 -14.921 1.00 0.00 C ATOM 211 C THR A 14 13.312 -14.922 -15.130 1.00 0.00 C ATOM 212 O THR A 14 13.749 -15.142 -16.259 1.00 0.00 O ATOM 213 CB THR A 14 12.604 -12.538 -14.928 1.00 0.00 C ATOM 214 OG1 THR A 14 13.090 -12.191 -16.230 1.00 0.00 O ATOM 215 CG2 THR A 14 13.703 -12.329 -13.898 1.00 0.00 C ATOM 0 H THR A 14 11.328 -13.538 -13.035 1.00 0.00 H new ATOM 0 HA THR A 14 11.405 -14.143 -15.734 1.00 0.00 H new ATOM 0 HB THR A 14 11.762 -11.895 -14.672 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.396 -11.260 -16.227 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.031 -11.290 -13.921 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.321 -12.567 -12.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.546 -12.981 -14.128 1.00 0.00 H new ATOM 223 N SER A 15 13.836 -15.461 -14.034 1.00 0.00 N ATOM 224 CA SER A 15 14.984 -16.359 -14.097 1.00 0.00 C ATOM 225 C SER A 15 14.608 -17.674 -14.774 1.00 0.00 C ATOM 226 O SER A 15 15.127 -18.006 -15.840 1.00 0.00 O ATOM 227 CB SER A 15 15.523 -16.632 -12.691 1.00 0.00 C ATOM 228 OG SER A 15 16.918 -16.881 -12.719 1.00 0.00 O ATOM 0 H SER A 15 13.484 -15.292 -13.092 1.00 0.00 H new ATOM 0 HA SER A 15 15.761 -15.875 -14.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.316 -15.778 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.006 -17.489 -12.260 1.00 0.00 H new ATOM 0 HG SER A 15 17.238 -17.051 -11.809 1.00 0.00 H new ATOM 234 N ILE A 16 13.704 -18.418 -14.146 1.00 0.00 N ATOM 235 CA ILE A 16 13.258 -19.695 -14.688 1.00 0.00 C ATOM 236 C ILE A 16 12.769 -19.543 -16.124 1.00 0.00 C ATOM 237 O ILE A 16 12.773 -20.501 -16.898 1.00 0.00 O ATOM 238 CB ILE A 16 12.129 -20.305 -13.835 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.601 -20.506 -12.394 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.666 -21.624 -14.435 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.472 -20.746 -11.416 1.00 0.00 C ATOM 0 H ILE A 16 13.266 -18.159 -13.262 1.00 0.00 H new ATOM 0 HA ILE A 16 14.119 -20.363 -14.669 1.00 0.00 H new ATOM 0 HB ILE A 16 11.285 -19.615 -13.828 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.287 -21.353 -12.360 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.163 -19.627 -12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.868 -22.043 -13.821 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.295 -21.454 -15.446 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.502 -22.322 -14.468 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.881 -20.880 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.798 -19.890 -11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.923 -21.642 -11.707 1.00 0.00 H new ATOM 253 N LEU A 17 12.349 -18.332 -16.475 1.00 0.00 N ATOM 254 CA LEU A 17 11.858 -18.053 -17.820 1.00 0.00 C ATOM 255 C LEU A 17 13.016 -17.785 -18.777 1.00 0.00 C ATOM 256 O LEU A 17 13.175 -18.476 -19.784 1.00 0.00 O ATOM 257 CB LEU A 17 10.911 -16.852 -17.799 1.00 0.00 C ATOM 258 CG LEU A 17 9.468 -17.128 -18.225 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.651 -15.846 -18.204 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.433 -17.763 -19.608 1.00 0.00 C ATOM 0 H LEU A 17 12.339 -17.528 -15.847 1.00 0.00 H new ATOM 0 HA LEU A 17 11.315 -18.930 -18.172 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.899 -16.442 -16.789 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.320 -16.080 -18.451 1.00 0.00 H new ATOM 0 HG LEU A 17 9.027 -17.827 -17.515 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.627 -16.062 -18.510 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.649 -15.432 -17.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.090 -15.123 -18.892 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.399 -17.953 -19.895 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.892 -17.088 -20.330 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.983 -18.704 -19.590 1.00 0.00 H new ATOM 272 N LEU A 18 13.822 -16.780 -18.456 1.00 0.00 N ATOM 273 CA LEU A 18 14.967 -16.422 -19.286 1.00 0.00 C ATOM 274 C LEU A 18 15.828 -17.645 -19.582 1.00 0.00 C ATOM 275 O LEU A 18 16.388 -17.773 -20.672 1.00 0.00 O ATOM 276 CB LEU A 18 15.808 -15.347 -18.594 1.00 0.00 C ATOM 277 CG LEU A 18 15.256 -13.922 -18.653 1.00 0.00 C ATOM 278 CD1 LEU A 18 16.309 -12.924 -18.197 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.780 -13.593 -20.060 1.00 0.00 C ATOM 0 H LEU A 18 13.704 -16.198 -17.627 1.00 0.00 H new ATOM 0 HA LEU A 18 14.591 -16.028 -20.230 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.928 -15.626 -17.547 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.802 -15.349 -19.040 1.00 0.00 H new ATOM 0 HG LEU A 18 14.403 -13.854 -17.978 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.899 -11.915 -18.245 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.602 -13.148 -17.171 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.181 -12.993 -18.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.390 -12.575 -20.084 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.615 -13.678 -20.756 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.993 -14.289 -20.350 1.00 0.00 H new ATOM 291 N ILE A 19 15.929 -18.542 -18.607 1.00 0.00 N ATOM 292 CA ILE A 19 16.719 -19.756 -18.765 1.00 0.00 C ATOM 293 C ILE A 19 16.173 -20.624 -19.894 1.00 0.00 C ATOM 294 O ILE A 19 16.843 -20.842 -20.904 1.00 0.00 O ATOM 295 CB ILE A 19 16.748 -20.582 -17.466 1.00 0.00 C ATOM 296 CG1 ILE A 19 17.371 -19.767 -16.331 1.00 0.00 C ATOM 297 CG2 ILE A 19 17.517 -21.878 -17.679 1.00 0.00 C ATOM 298 CD1 ILE A 19 16.848 -20.139 -14.961 1.00 0.00 C ATOM 0 H ILE A 19 15.473 -18.451 -17.699 1.00 0.00 H new ATOM 0 HA ILE A 19 17.734 -19.442 -19.009 1.00 0.00 H new ATOM 0 HB ILE A 19 15.724 -20.831 -17.189 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.452 -19.904 -16.348 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.181 -18.708 -16.508 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.529 -22.451 -16.752 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.034 -22.463 -18.461 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.540 -21.649 -17.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.334 -19.521 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.771 -19.975 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.062 -21.189 -14.763 1.00 0.00 H new ATOM 310 N PHE A 20 14.951 -21.116 -19.717 1.00 0.00 N ATOM 311 CA PHE A 20 14.314 -21.960 -20.721 1.00 0.00 C ATOM 312 C PHE A 20 14.100 -21.191 -22.022 1.00 0.00 C ATOM 313 O PHE A 20 14.000 -21.784 -23.096 1.00 0.00 O ATOM 314 CB PHE A 20 12.975 -22.486 -20.201 1.00 0.00 C ATOM 315 CG PHE A 20 12.345 -23.512 -21.098 1.00 0.00 C ATOM 316 CD1 PHE A 20 12.984 -24.714 -21.354 1.00 0.00 C ATOM 317 CD2 PHE A 20 11.112 -23.275 -21.685 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.406 -25.661 -22.179 1.00 0.00 C ATOM 319 CE2 PHE A 20 10.530 -24.218 -22.511 1.00 0.00 C ATOM 320 CZ PHE A 20 11.178 -25.412 -22.759 1.00 0.00 C ATOM 0 H PHE A 20 14.382 -20.945 -18.888 1.00 0.00 H new ATOM 0 HA PHE A 20 14.975 -22.803 -20.922 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.124 -22.921 -19.213 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.287 -21.649 -20.080 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.945 -24.914 -20.904 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.600 -22.343 -21.495 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.915 -26.595 -22.370 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.569 -24.021 -22.962 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.725 -26.149 -23.405 1.00 0.00 H new ATOM 330 N ILE A 21 14.031 -19.868 -21.915 1.00 0.00 N ATOM 331 CA ILE A 21 13.830 -19.018 -23.082 1.00 0.00 C ATOM 332 C ILE A 21 15.082 -18.972 -23.951 1.00 0.00 C ATOM 333 O ILE A 21 15.023 -19.216 -25.156 1.00 0.00 O ATOM 334 CB ILE A 21 13.449 -17.583 -22.673 1.00 0.00 C ATOM 335 CG1 ILE A 21 11.931 -17.455 -22.532 1.00 0.00 C ATOM 336 CG2 ILE A 21 13.977 -16.584 -23.693 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.493 -16.178 -21.849 1.00 0.00 C ATOM 0 H ILE A 21 14.111 -19.362 -21.033 1.00 0.00 H new ATOM 0 HA ILE A 21 13.011 -19.454 -23.653 1.00 0.00 H new ATOM 0 HB ILE A 21 13.905 -17.363 -21.707 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.477 -17.502 -23.522 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.554 -18.307 -21.967 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.700 -15.574 -23.390 1.00 0.00 H new ATOM 0 HG22 ILE A 21 15.063 -16.661 -23.749 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.547 -16.801 -24.671 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.405 -16.155 -21.784 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.918 -16.138 -20.846 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.840 -15.320 -22.425 1.00 0.00 H new ATOM 349 N PHE A 22 16.215 -18.658 -23.331 1.00 0.00 N ATOM 350 CA PHE A 22 17.482 -18.580 -24.048 1.00 0.00 C ATOM 351 C PHE A 22 17.957 -19.969 -24.465 1.00 0.00 C ATOM 352 O PHE A 22 18.267 -20.206 -25.633 1.00 0.00 O ATOM 353 CB PHE A 22 18.544 -17.906 -23.177 1.00 0.00 C ATOM 354 CG PHE A 22 18.184 -16.506 -22.769 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.508 -15.668 -23.641 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.521 -16.029 -21.512 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.177 -14.380 -23.267 1.00 0.00 C ATOM 358 CE2 PHE A 22 18.192 -14.741 -21.133 1.00 0.00 C ATOM 359 CZ PHE A 22 17.517 -13.916 -22.012 1.00 0.00 C ATOM 0 H PHE A 22 16.281 -18.454 -22.334 1.00 0.00 H new ATOM 0 HA PHE A 22 17.326 -17.983 -24.947 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.703 -18.507 -22.282 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.489 -17.886 -23.720 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.237 -16.025 -24.623 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.047 -16.671 -20.821 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.652 -13.736 -23.957 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.462 -14.380 -20.152 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.256 -12.910 -21.718 1.00 0.00 H new ATOM 369 N ILE A 23 18.011 -20.883 -23.502 1.00 0.00 N ATOM 370 CA ILE A 23 18.448 -22.248 -23.768 1.00 0.00 C ATOM 371 C ILE A 23 17.714 -22.835 -24.969 1.00 0.00 C ATOM 372 O ILE A 23 18.330 -23.411 -25.866 1.00 0.00 O ATOM 373 CB ILE A 23 18.222 -23.160 -22.548 1.00 0.00 C ATOM 374 CG1 ILE A 23 19.452 -23.143 -21.637 1.00 0.00 C ATOM 375 CG2 ILE A 23 17.909 -24.579 -22.997 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.349 -22.149 -20.502 1.00 0.00 C ATOM 0 H ILE A 23 17.758 -20.703 -22.531 1.00 0.00 H new ATOM 0 HA ILE A 23 19.515 -22.201 -23.983 1.00 0.00 H new ATOM 0 HB ILE A 23 17.369 -22.782 -21.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 19.602 -24.140 -21.223 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.333 -22.910 -22.234 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.752 -25.211 -22.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 17.007 -24.576 -23.610 1.00 0.00 H new ATOM 0 HG23 ILE A 23 18.743 -24.968 -23.581 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.255 -22.192 -19.898 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.230 -21.144 -20.908 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.487 -22.394 -19.881 1.00 0.00 H new ATOM 388 N VAL A 24 16.394 -22.683 -24.981 1.00 0.00 N ATOM 389 CA VAL A 24 15.575 -23.196 -26.074 1.00 0.00 C ATOM 390 C VAL A 24 15.828 -22.419 -27.361 1.00 0.00 C ATOM 391 O VAL A 24 15.967 -23.005 -28.436 1.00 0.00 O ATOM 392 CB VAL A 24 14.075 -23.126 -25.732 1.00 0.00 C ATOM 393 CG1 VAL A 24 13.232 -23.336 -26.980 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.725 -24.150 -24.663 1.00 0.00 C ATOM 0 H VAL A 24 15.868 -22.209 -24.247 1.00 0.00 H new ATOM 0 HA VAL A 24 15.859 -24.238 -26.220 1.00 0.00 H new ATOM 0 HB VAL A 24 13.856 -22.134 -25.338 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.175 -23.283 -26.718 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.464 -22.561 -27.711 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.452 -24.315 -27.407 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.661 -24.087 -24.433 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.959 -25.150 -25.027 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.304 -23.947 -23.762 1.00 0.00 H new ATOM 404 N LEU A 25 15.887 -21.097 -27.246 1.00 0.00 N ATOM 405 CA LEU A 25 16.124 -20.238 -28.401 1.00 0.00 C ATOM 406 C LEU A 25 17.377 -20.673 -29.155 1.00 0.00 C ATOM 407 O LEU A 25 17.432 -20.602 -30.383 1.00 0.00 O ATOM 408 CB LEU A 25 16.262 -18.780 -27.958 1.00 0.00 C ATOM 409 CG LEU A 25 14.971 -17.961 -27.935 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.273 -16.498 -27.648 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.226 -18.104 -29.254 1.00 0.00 C ATOM 0 H LEU A 25 15.774 -20.596 -26.365 1.00 0.00 H new ATOM 0 HA LEU A 25 15.269 -20.328 -29.071 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.697 -18.764 -26.958 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.971 -18.285 -28.622 1.00 0.00 H new ATOM 0 HG LEU A 25 14.334 -18.343 -27.137 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.343 -15.930 -27.635 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.764 -16.411 -26.679 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.929 -16.103 -28.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.310 -17.515 -29.220 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.857 -17.748 -30.069 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.977 -19.152 -29.420 1.00 0.00 H new ATOM 423 N LEU A 26 18.381 -21.124 -28.411 1.00 0.00 N ATOM 424 CA LEU A 26 19.634 -21.574 -29.009 1.00 0.00 C ATOM 425 C LEU A 26 19.380 -22.649 -30.061 1.00 0.00 C ATOM 426 O LEU A 26 19.680 -22.460 -31.240 1.00 0.00 O ATOM 427 CB LEU A 26 20.573 -22.112 -27.929 1.00 0.00 C ATOM 428 CG LEU A 26 21.617 -21.130 -27.396 1.00 0.00 C ATOM 429 CD1 LEU A 26 22.481 -20.602 -28.531 1.00 0.00 C ATOM 430 CD2 LEU A 26 20.942 -19.983 -26.659 1.00 0.00 C ATOM 0 H LEU A 26 18.352 -21.188 -27.393 1.00 0.00 H new ATOM 0 HA LEU A 26 20.103 -20.719 -29.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.969 -22.459 -27.091 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.093 -22.982 -28.329 1.00 0.00 H new ATOM 0 HG LEU A 26 22.260 -21.659 -26.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 23.218 -19.905 -28.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.993 -21.433 -29.016 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.852 -20.089 -29.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.700 -19.294 -26.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.275 -19.455 -27.341 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.367 -20.377 -25.821 1.00 0.00 H new ATOM 442 N ILE A 27 18.825 -23.775 -29.626 1.00 0.00 N ATOM 443 CA ILE A 27 18.528 -24.879 -30.531 1.00 0.00 C ATOM 444 C ILE A 27 17.705 -24.405 -31.724 1.00 0.00 C ATOM 445 O ILE A 27 18.043 -24.682 -32.875 1.00 0.00 O ATOM 446 CB ILE A 27 17.767 -26.008 -29.812 1.00 0.00 C ATOM 447 CG1 ILE A 27 18.750 -27.029 -29.237 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.792 -26.681 -30.766 1.00 0.00 C ATOM 449 CD1 ILE A 27 18.548 -27.299 -27.762 1.00 0.00 C ATOM 0 H ILE A 27 18.572 -23.947 -28.653 1.00 0.00 H new ATOM 0 HA ILE A 27 19.485 -25.265 -30.883 1.00 0.00 H new ATOM 0 HB ILE A 27 17.198 -25.576 -28.989 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.651 -27.965 -29.786 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.767 -26.672 -29.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.262 -27.477 -30.243 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.075 -25.946 -31.131 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.340 -27.103 -31.608 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.280 -28.032 -27.423 1.00 0.00 H new ATOM 0 HD12 ILE A 27 18.676 -26.373 -27.202 1.00 0.00 H new ATOM 0 HD13 ILE A 27 17.543 -27.687 -27.597 1.00 0.00 H new ATOM 461 N HIS A 28 16.622 -23.688 -31.441 1.00 0.00 N ATOM 462 CA HIS A 28 15.750 -23.173 -32.491 1.00 0.00 C ATOM 463 C HIS A 28 16.566 -22.514 -33.600 1.00 0.00 C ATOM 464 O HIS A 28 16.226 -22.616 -34.779 1.00 0.00 O ATOM 465 CB HIS A 28 14.754 -22.170 -31.910 1.00 0.00 C ATOM 466 CG HIS A 28 13.953 -21.449 -32.950 1.00 0.00 C ATOM 467 ND1 HIS A 28 14.279 -20.191 -33.413 1.00 0.00 N ATOM 468 CD2 HIS A 28 12.836 -21.817 -33.620 1.00 0.00 C ATOM 469 CE1 HIS A 28 13.396 -19.816 -34.321 1.00 0.00 C ATOM 470 NE2 HIS A 28 12.510 -20.785 -34.465 1.00 0.00 N ATOM 0 H HIS A 28 16.327 -23.450 -30.494 1.00 0.00 H new ATOM 0 HA HIS A 28 15.201 -24.013 -32.918 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.074 -22.694 -31.238 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.296 -21.439 -31.309 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.301 -22.749 -33.510 1.00 0.00 H new ATOM 0 HE1 HIS A 28 13.398 -18.877 -34.855 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.713 -20.769 -35.101 1.00 0.00 H new ATOM 478 N PHE A 29 17.642 -21.837 -33.213 1.00 0.00 N ATOM 479 CA PHE A 29 18.505 -21.160 -34.174 1.00 0.00 C ATOM 480 C PHE A 29 19.706 -22.029 -34.533 1.00 0.00 C ATOM 481 O PHE A 29 20.359 -21.812 -35.554 1.00 0.00 O ATOM 482 CB PHE A 29 18.981 -19.820 -33.608 1.00 0.00 C ATOM 483 CG PHE A 29 17.946 -18.734 -33.688 1.00 0.00 C ATOM 484 CD1 PHE A 29 17.469 -18.303 -34.915 1.00 0.00 C ATOM 485 CD2 PHE A 29 17.451 -18.144 -32.536 1.00 0.00 C ATOM 486 CE1 PHE A 29 16.518 -17.303 -34.992 1.00 0.00 C ATOM 487 CE2 PHE A 29 16.499 -17.144 -32.606 1.00 0.00 C ATOM 488 CZ PHE A 29 16.031 -16.724 -33.836 1.00 0.00 C ATOM 0 H PHE A 29 17.937 -21.743 -32.241 1.00 0.00 H new ATOM 0 HA PHE A 29 17.927 -20.979 -35.080 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.272 -19.957 -32.567 1.00 0.00 H new ATOM 0 HB3 PHE A 29 19.872 -19.502 -34.149 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.845 -18.754 -35.822 1.00 0.00 H new ATOM 0 HD2 PHE A 29 17.813 -18.469 -31.572 1.00 0.00 H new ATOM 0 HE1 PHE A 29 16.156 -16.975 -35.955 1.00 0.00 H new ATOM 0 HE2 PHE A 29 16.122 -16.692 -31.701 1.00 0.00 H new ATOM 0 HZ PHE A 29 15.286 -15.944 -33.894 1.00 0.00 H new ATOM 498 N GLU A 30 19.993 -23.012 -33.685 1.00 0.00 N ATOM 499 CA GLU A 30 21.117 -23.913 -33.912 1.00 0.00 C ATOM 500 C GLU A 30 20.822 -24.871 -35.063 1.00 0.00 C ATOM 501 O GLU A 30 21.658 -25.696 -35.427 1.00 0.00 O ATOM 502 CB GLU A 30 21.429 -24.705 -32.641 1.00 0.00 C ATOM 503 CG GLU A 30 22.897 -24.676 -32.251 1.00 0.00 C ATOM 504 CD GLU A 30 23.706 -25.758 -32.941 1.00 0.00 C ATOM 505 OE1 GLU A 30 23.279 -26.931 -32.903 1.00 0.00 O ATOM 506 OE2 GLU A 30 24.764 -25.432 -33.517 1.00 0.00 O ATOM 0 H GLU A 30 19.463 -23.205 -32.835 1.00 0.00 H new ATOM 0 HA GLU A 30 21.985 -23.310 -34.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.835 -24.305 -31.819 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.120 -25.741 -32.783 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.316 -23.701 -32.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.985 -24.795 -31.171 1.00 0.00 H new ATOM 513 N GLY A 31 19.625 -24.755 -35.630 1.00 0.00 N ATOM 514 CA GLY A 31 19.240 -25.617 -36.732 1.00 0.00 C ATOM 515 C GLY A 31 17.961 -26.382 -36.451 1.00 0.00 C ATOM 516 O GLY A 31 17.900 -27.595 -36.647 1.00 0.00 O ATOM 0 H GLY A 31 18.915 -24.080 -35.346 1.00 0.00 H new ATOM 0 HA2 GLY A 31 19.110 -25.015 -37.631 1.00 0.00 H new ATOM 0 HA3 GLY A 31 20.045 -26.323 -36.935 1.00 0.00 H new ATOM 520 N TRP A 32 16.939 -25.671 -35.989 1.00 0.00 N ATOM 521 CA TRP A 32 15.656 -26.291 -35.678 1.00 0.00 C ATOM 522 C TRP A 32 14.532 -25.648 -36.483 1.00 0.00 C ATOM 523 O TRP A 32 13.357 -25.775 -36.137 1.00 0.00 O ATOM 524 CB TRP A 32 15.359 -26.176 -34.182 1.00 0.00 C ATOM 525 CG TRP A 32 15.091 -27.496 -33.526 1.00 0.00 C ATOM 526 CD1 TRP A 32 15.822 -28.642 -33.661 1.00 0.00 C ATOM 527 CD2 TRP A 32 14.014 -27.807 -32.635 1.00 0.00 C ATOM 528 NE1 TRP A 32 15.265 -29.646 -32.907 1.00 0.00 N ATOM 529 CE2 TRP A 32 14.155 -29.160 -32.267 1.00 0.00 C ATOM 530 CE3 TRP A 32 12.946 -27.075 -32.110 1.00 0.00 C ATOM 531 CZ2 TRP A 32 13.268 -29.792 -31.401 1.00 0.00 C ATOM 532 CZ3 TRP A 32 12.066 -27.704 -31.250 1.00 0.00 C ATOM 533 CH2 TRP A 32 12.231 -29.051 -30.902 1.00 0.00 C ATOM 0 H TRP A 32 16.973 -24.665 -35.821 1.00 0.00 H new ATOM 0 HA TRP A 32 15.715 -27.345 -35.949 1.00 0.00 H new ATOM 0 HB2 TRP A 32 16.204 -25.697 -33.687 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.496 -25.526 -34.039 1.00 0.00 H new ATOM 0 HD1 TRP A 32 16.708 -28.744 -34.271 1.00 0.00 H new ATOM 0 HE1 TRP A 32 15.620 -30.599 -32.835 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.811 -26.036 -32.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 13.393 -30.830 -31.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.237 -27.148 -30.839 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.526 -29.514 -30.227 1.00 0.00 H new ATOM 726 N PHE B 110 18.259 -2.186 -15.223 1.00 0.00 N ATOM 727 CA PHE B 110 18.539 -3.464 -14.579 1.00 0.00 C ATOM 728 C PHE B 110 17.933 -4.617 -15.373 1.00 0.00 C ATOM 729 O PHE B 110 18.430 -5.742 -15.330 1.00 0.00 O ATOM 730 CB PHE B 110 17.990 -3.469 -13.151 1.00 0.00 C ATOM 731 CG PHE B 110 17.997 -4.829 -12.512 1.00 0.00 C ATOM 732 CD1 PHE B 110 19.100 -5.267 -11.796 1.00 0.00 C ATOM 733 CD2 PHE B 110 16.901 -5.668 -12.626 1.00 0.00 C ATOM 734 CE1 PHE B 110 19.109 -6.517 -11.207 1.00 0.00 C ATOM 735 CE2 PHE B 110 16.904 -6.920 -12.039 1.00 0.00 C ATOM 736 CZ PHE B 110 18.009 -7.344 -11.328 1.00 0.00 C ATOM 0 HA PHE B 110 19.620 -3.598 -14.546 1.00 0.00 H new ATOM 0 HB2 PHE B 110 18.581 -2.786 -12.540 1.00 0.00 H new ATOM 0 HB3 PHE B 110 16.970 -3.086 -13.161 1.00 0.00 H new ATOM 0 HD1 PHE B 110 19.962 -4.624 -11.697 1.00 0.00 H new ATOM 0 HD2 PHE B 110 16.034 -5.340 -13.180 1.00 0.00 H new ATOM 0 HE1 PHE B 110 19.975 -6.847 -10.653 1.00 0.00 H new ATOM 0 HE2 PHE B 110 16.043 -7.565 -12.137 1.00 0.00 H new ATOM 0 HZ PHE B 110 18.013 -8.321 -10.867 1.00 0.00 H new ATOM 746 N MET B 111 16.857 -4.328 -16.097 1.00 0.00 N ATOM 747 CA MET B 111 16.183 -5.341 -16.902 1.00 0.00 C ATOM 748 C MET B 111 17.039 -5.741 -18.099 1.00 0.00 C ATOM 749 O MET B 111 17.090 -6.914 -18.472 1.00 0.00 O ATOM 750 CB MET B 111 14.825 -4.822 -17.381 1.00 0.00 C ATOM 751 CG MET B 111 13.684 -5.136 -16.427 1.00 0.00 C ATOM 752 SD MET B 111 12.155 -4.290 -16.871 1.00 0.00 S ATOM 753 CE MET B 111 11.735 -3.510 -15.314 1.00 0.00 C ATOM 0 H MET B 111 16.433 -3.401 -16.143 1.00 0.00 H new ATOM 0 HA MET B 111 16.028 -6.221 -16.278 1.00 0.00 H new ATOM 0 HB2 MET B 111 14.886 -3.742 -17.519 1.00 0.00 H new ATOM 0 HB3 MET B 111 14.603 -5.256 -18.356 1.00 0.00 H new ATOM 0 HG2 MET B 111 13.510 -6.212 -16.417 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.972 -4.850 -15.415 1.00 0.00 H new ATOM 0 HE1 MET B 111 10.809 -2.947 -15.427 1.00 0.00 H new ATOM 0 HE2 MET B 111 11.604 -4.274 -14.548 1.00 0.00 H new ATOM 0 HE3 MET B 111 12.537 -2.834 -15.018 1.00 0.00 H new ATOM 763 N ILE B 112 17.708 -4.761 -18.697 1.00 0.00 N ATOM 764 CA ILE B 112 18.561 -5.013 -19.852 1.00 0.00 C ATOM 765 C ILE B 112 19.886 -5.638 -19.430 1.00 0.00 C ATOM 766 O ILE B 112 20.308 -6.655 -19.980 1.00 0.00 O ATOM 767 CB ILE B 112 18.844 -3.718 -20.636 1.00 0.00 C ATOM 768 CG1 ILE B 112 17.551 -3.173 -21.246 1.00 0.00 C ATOM 769 CG2 ILE B 112 19.882 -3.971 -21.719 1.00 0.00 C ATOM 770 CD1 ILE B 112 17.126 -1.840 -20.669 1.00 0.00 C ATOM 0 H ILE B 112 17.676 -3.785 -18.401 1.00 0.00 H new ATOM 0 HA ILE B 112 18.023 -5.708 -20.497 1.00 0.00 H new ATOM 0 HB ILE B 112 19.241 -2.972 -19.947 1.00 0.00 H new ATOM 0 HG12 ILE B 112 17.683 -3.068 -22.323 1.00 0.00 H new ATOM 0 HG13 ILE B 112 16.752 -3.898 -21.092 1.00 0.00 H new ATOM 0 HG21 ILE B 112 20.071 -3.047 -22.264 1.00 0.00 H new ATOM 0 HG22 ILE B 112 20.808 -4.319 -21.261 1.00 0.00 H new ATOM 0 HG23 ILE B 112 19.511 -4.730 -22.408 1.00 0.00 H new ATOM 0 HD11 ILE B 112 16.202 -1.514 -21.148 1.00 0.00 H new ATOM 0 HD12 ILE B 112 16.962 -1.943 -19.596 1.00 0.00 H new ATOM 0 HD13 ILE B 112 17.907 -1.101 -20.847 1.00 0.00 H new ATOM 782 N ASN B 113 20.538 -5.024 -18.447 1.00 0.00 N ATOM 783 CA ASN B 113 21.816 -5.521 -17.950 1.00 0.00 C ATOM 784 C ASN B 113 21.720 -7.000 -17.588 1.00 0.00 C ATOM 785 O ASN B 113 22.458 -7.831 -18.120 1.00 0.00 O ATOM 786 CB ASN B 113 22.260 -4.714 -16.729 1.00 0.00 C ATOM 787 CG ASN B 113 23.051 -3.477 -17.110 1.00 0.00 C ATOM 788 OD1 ASN B 113 24.193 -3.301 -16.685 1.00 0.00 O ATOM 789 ND2 ASN B 113 22.444 -2.612 -17.916 1.00 0.00 N ATOM 0 H ASN B 113 20.202 -4.182 -17.979 1.00 0.00 H new ATOM 0 HA ASN B 113 22.556 -5.406 -18.742 1.00 0.00 H new ATOM 0 HB2 ASN B 113 21.383 -4.418 -16.154 1.00 0.00 H new ATOM 0 HB3 ASN B 113 22.868 -5.345 -16.081 1.00 0.00 H new ATOM 0 HD21 ASN B 113 22.926 -1.761 -18.207 1.00 0.00 H new ATOM 0 HD22 ASN B 113 21.496 -2.799 -18.244 1.00 0.00 H new ATOM 796 N THR B 114 20.805 -7.324 -16.679 1.00 0.00 N ATOM 797 CA THR B 114 20.613 -8.702 -16.245 1.00 0.00 C ATOM 798 C THR B 114 20.335 -9.618 -17.432 1.00 0.00 C ATOM 799 O THR B 114 20.619 -10.815 -17.384 1.00 0.00 O ATOM 800 CB THR B 114 19.452 -8.817 -15.239 1.00 0.00 C ATOM 801 OG1 THR B 114 19.442 -10.123 -14.651 1.00 0.00 O ATOM 802 CG2 THR B 114 18.118 -8.551 -15.920 1.00 0.00 C ATOM 0 H THR B 114 20.185 -6.650 -16.229 1.00 0.00 H new ATOM 0 HA THR B 114 21.538 -9.013 -15.758 1.00 0.00 H new ATOM 0 HB THR B 114 19.599 -8.069 -14.460 1.00 0.00 H new ATOM 0 HG1 THR B 114 18.702 -10.188 -14.011 1.00 0.00 H new ATOM 0 HG21 THR B 114 17.313 -8.638 -15.190 1.00 0.00 H new ATOM 0 HG22 THR B 114 18.119 -7.546 -16.342 1.00 0.00 H new ATOM 0 HG23 THR B 114 17.965 -9.279 -16.717 1.00 0.00 H new ATOM 810 N SER B 115 19.779 -9.048 -18.496 1.00 0.00 N ATOM 811 CA SER B 115 19.460 -9.815 -19.694 1.00 0.00 C ATOM 812 C SER B 115 20.732 -10.295 -20.387 1.00 0.00 C ATOM 813 O SER B 115 20.980 -11.496 -20.491 1.00 0.00 O ATOM 814 CB SER B 115 18.627 -8.970 -20.660 1.00 0.00 C ATOM 815 OG SER B 115 17.761 -9.783 -21.433 1.00 0.00 O ATOM 0 H SER B 115 19.540 -8.058 -18.553 1.00 0.00 H new ATOM 0 HA SER B 115 18.880 -10.687 -19.393 1.00 0.00 H new ATOM 0 HB2 SER B 115 18.042 -8.241 -20.099 1.00 0.00 H new ATOM 0 HB3 SER B 115 19.288 -8.408 -21.320 1.00 0.00 H new ATOM 0 HG SER B 115 17.239 -9.219 -22.041 1.00 0.00 H new ATOM 821 N ILE B 116 21.533 -9.346 -20.860 1.00 0.00 N ATOM 822 CA ILE B 116 22.780 -9.670 -21.542 1.00 0.00 C ATOM 823 C ILE B 116 23.652 -10.584 -20.688 1.00 0.00 C ATOM 824 O ILE B 116 24.496 -11.318 -21.206 1.00 0.00 O ATOM 825 CB ILE B 116 23.577 -8.400 -21.892 1.00 0.00 C ATOM 826 CG1 ILE B 116 22.738 -7.472 -22.773 1.00 0.00 C ATOM 827 CG2 ILE B 116 24.879 -8.767 -22.589 1.00 0.00 C ATOM 828 CD1 ILE B 116 23.279 -6.062 -22.854 1.00 0.00 C ATOM 0 H ILE B 116 21.341 -8.347 -20.784 1.00 0.00 H new ATOM 0 HA ILE B 116 22.510 -10.185 -22.464 1.00 0.00 H new ATOM 0 HB ILE B 116 23.818 -7.874 -20.968 1.00 0.00 H new ATOM 0 HG12 ILE B 116 22.684 -7.890 -23.778 1.00 0.00 H new ATOM 0 HG13 ILE B 116 21.720 -7.440 -22.386 1.00 0.00 H new ATOM 0 HG21 ILE B 116 25.431 -7.859 -22.830 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.480 -9.393 -21.930 1.00 0.00 H new ATOM 0 HG23 ILE B 116 24.659 -9.312 -23.507 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.634 -5.461 -23.495 1.00 0.00 H new ATOM 0 HD12 ILE B 116 23.307 -5.625 -21.856 1.00 0.00 H new ATOM 0 HD13 ILE B 116 24.286 -6.082 -23.270 1.00 0.00 H new ATOM 840 N LEU B 117 23.443 -10.537 -19.377 1.00 0.00 N ATOM 841 CA LEU B 117 24.209 -11.363 -18.450 1.00 0.00 C ATOM 842 C LEU B 117 23.621 -12.767 -18.358 1.00 0.00 C ATOM 843 O LEU B 117 24.307 -13.757 -18.615 1.00 0.00 O ATOM 844 CB LEU B 117 24.235 -10.717 -17.063 1.00 0.00 C ATOM 845 CG LEU B 117 25.618 -10.373 -16.509 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.505 -9.829 -15.093 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.525 -11.594 -16.543 1.00 0.00 C ATOM 0 H LEU B 117 22.750 -9.936 -18.932 1.00 0.00 H new ATOM 0 HA LEU B 117 25.228 -11.440 -18.828 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.642 -9.803 -17.099 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.742 -11.390 -16.361 1.00 0.00 H new ATOM 0 HG LEU B 117 26.059 -9.601 -17.139 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.499 -9.590 -14.715 1.00 0.00 H new ATOM 0 HD12 LEU B 117 24.892 -8.928 -15.097 1.00 0.00 H new ATOM 0 HD13 LEU B 117 25.043 -10.579 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.505 -11.330 -16.145 1.00 0.00 H new ATOM 0 HD22 LEU B 117 26.089 -12.388 -15.937 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.632 -11.939 -17.571 1.00 0.00 H new ATOM 859 N LEU B 118 22.347 -12.847 -17.992 1.00 0.00 N ATOM 860 CA LEU B 118 21.665 -14.131 -17.869 1.00 0.00 C ATOM 861 C LEU B 118 21.835 -14.962 -19.136 1.00 0.00 C ATOM 862 O LEU B 118 21.957 -16.186 -19.076 1.00 0.00 O ATOM 863 CB LEU B 118 20.177 -13.915 -17.583 1.00 0.00 C ATOM 864 CG LEU B 118 19.819 -13.530 -16.147 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.318 -13.636 -15.925 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.569 -14.409 -15.156 1.00 0.00 C ATOM 0 H LEU B 118 21.765 -12.038 -17.775 1.00 0.00 H new ATOM 0 HA LEU B 118 22.114 -14.674 -17.038 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.809 -13.135 -18.250 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.642 -14.830 -17.837 1.00 0.00 H new ATOM 0 HG LEU B 118 20.118 -12.495 -15.983 1.00 0.00 H new ATOM 0 HD11 LEU B 118 18.082 -13.358 -14.898 1.00 0.00 H new ATOM 0 HD12 LEU B 118 17.801 -12.965 -16.611 1.00 0.00 H new ATOM 0 HD13 LEU B 118 17.995 -14.661 -16.107 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.302 -14.121 -14.139 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.301 -15.453 -15.320 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.642 -14.284 -15.298 1.00 0.00 H new ATOM 878 N ILE B 119 21.845 -14.289 -20.282 1.00 0.00 N ATOM 879 CA ILE B 119 22.004 -14.965 -21.563 1.00 0.00 C ATOM 880 C ILE B 119 23.347 -15.683 -21.643 1.00 0.00 C ATOM 881 O ILE B 119 23.403 -16.910 -21.734 1.00 0.00 O ATOM 882 CB ILE B 119 21.893 -13.977 -22.739 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.526 -13.291 -22.729 1.00 0.00 C ATOM 884 CG2 ILE B 119 22.120 -14.698 -24.060 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.546 -11.895 -23.312 1.00 0.00 C ATOM 0 H ILE B 119 21.745 -13.276 -20.349 1.00 0.00 H new ATOM 0 HA ILE B 119 21.199 -15.696 -21.636 1.00 0.00 H new ATOM 0 HB ILE B 119 22.663 -13.214 -22.627 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.819 -13.901 -23.291 1.00 0.00 H new ATOM 0 HG13 ILE B 119 20.160 -13.242 -21.703 1.00 0.00 H new ATOM 0 HG21 ILE B 119 22.038 -13.986 -24.882 1.00 0.00 H new ATOM 0 HG22 ILE B 119 23.114 -15.145 -24.064 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.370 -15.480 -24.181 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.543 -11.470 -23.272 1.00 0.00 H new ATOM 0 HD12 ILE B 119 21.228 -11.270 -22.736 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.881 -11.938 -24.348 1.00 0.00 H new ATOM 897 N PHE B 120 24.428 -14.911 -21.605 1.00 0.00 N ATOM 898 CA PHE B 120 25.772 -15.473 -21.672 1.00 0.00 C ATOM 899 C PHE B 120 26.047 -16.369 -20.468 1.00 0.00 C ATOM 900 O PHE B 120 26.890 -17.265 -20.527 1.00 0.00 O ATOM 901 CB PHE B 120 26.813 -14.354 -21.738 1.00 0.00 C ATOM 902 CG PHE B 120 28.208 -14.847 -21.998 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.512 -15.518 -23.171 1.00 0.00 C ATOM 904 CD2 PHE B 120 29.214 -14.641 -21.068 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.795 -15.973 -23.414 1.00 0.00 C ATOM 906 CE2 PHE B 120 30.498 -15.093 -21.305 1.00 0.00 C ATOM 907 CZ PHE B 120 30.789 -15.761 -22.479 1.00 0.00 C ATOM 0 H PHE B 120 24.400 -13.894 -21.528 1.00 0.00 H new ATOM 0 HA PHE B 120 25.842 -16.078 -22.576 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.532 -13.653 -22.524 1.00 0.00 H new ATOM 0 HB3 PHE B 120 26.801 -13.801 -20.799 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.738 -15.688 -23.905 1.00 0.00 H new ATOM 0 HD2 PHE B 120 28.992 -14.121 -20.148 1.00 0.00 H new ATOM 0 HE1 PHE B 120 30.019 -16.493 -24.333 1.00 0.00 H new ATOM 0 HE2 PHE B 120 31.274 -14.924 -20.573 1.00 0.00 H new ATOM 0 HZ PHE B 120 31.792 -16.117 -22.665 1.00 0.00 H new ATOM 917 N ILE B 121 25.331 -16.120 -19.377 1.00 0.00 N ATOM 918 CA ILE B 121 25.497 -16.904 -18.159 1.00 0.00 C ATOM 919 C ILE B 121 24.925 -18.308 -18.327 1.00 0.00 C ATOM 920 O ILE B 121 25.606 -19.301 -18.072 1.00 0.00 O ATOM 921 CB ILE B 121 24.817 -16.225 -16.956 1.00 0.00 C ATOM 922 CG1 ILE B 121 25.791 -15.268 -16.265 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.308 -17.271 -15.975 1.00 0.00 C ATOM 924 CD1 ILE B 121 25.127 -14.349 -15.264 1.00 0.00 C ATOM 0 H ILE B 121 24.630 -15.382 -19.311 1.00 0.00 H new ATOM 0 HA ILE B 121 26.568 -16.971 -17.970 1.00 0.00 H new ATOM 0 HB ILE B 121 23.965 -15.649 -17.317 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.561 -15.850 -15.757 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.294 -14.665 -17.021 1.00 0.00 H new ATOM 0 HG21 ILE B 121 23.830 -16.775 -15.130 1.00 0.00 H new ATOM 0 HG22 ILE B 121 23.585 -17.916 -16.474 1.00 0.00 H new ATOM 0 HG23 ILE B 121 25.144 -17.872 -15.617 1.00 0.00 H new ATOM 0 HD11 ILE B 121 25.877 -13.699 -14.813 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.377 -13.741 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE B 121 24.648 -14.944 -14.486 1.00 0.00 H new ATOM 936 N PHE B 122 23.670 -18.382 -18.758 1.00 0.00 N ATOM 937 CA PHE B 122 23.006 -19.664 -18.961 1.00 0.00 C ATOM 938 C PHE B 122 23.599 -20.401 -20.158 1.00 0.00 C ATOM 939 O PHE B 122 23.988 -21.564 -20.055 1.00 0.00 O ATOM 940 CB PHE B 122 21.504 -19.458 -19.167 1.00 0.00 C ATOM 941 CG PHE B 122 20.825 -18.791 -18.005 1.00 0.00 C ATOM 942 CD1 PHE B 122 21.214 -19.072 -16.705 1.00 0.00 C ATOM 943 CD2 PHE B 122 19.799 -17.884 -18.212 1.00 0.00 C ATOM 944 CE1 PHE B 122 20.590 -18.461 -15.634 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.172 -17.269 -17.145 1.00 0.00 C ATOM 946 CZ PHE B 122 19.569 -17.557 -15.854 1.00 0.00 C ATOM 0 H PHE B 122 23.093 -17.569 -18.973 1.00 0.00 H new ATOM 0 HA PHE B 122 23.163 -20.271 -18.069 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.347 -18.857 -20.063 1.00 0.00 H new ATOM 0 HB3 PHE B 122 21.034 -20.425 -19.346 1.00 0.00 H new ATOM 0 HD1 PHE B 122 22.013 -19.776 -16.527 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.485 -17.655 -19.220 1.00 0.00 H new ATOM 0 HE1 PHE B 122 20.901 -18.690 -14.625 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.373 -16.564 -17.320 1.00 0.00 H new ATOM 0 HZ PHE B 122 19.082 -17.076 -15.018 1.00 0.00 H new ATOM 956 N ILE B 123 23.665 -19.714 -21.294 1.00 0.00 N ATOM 957 CA ILE B 123 24.210 -20.302 -22.511 1.00 0.00 C ATOM 958 C ILE B 123 25.565 -20.950 -22.249 1.00 0.00 C ATOM 959 O ILE B 123 25.809 -22.089 -22.649 1.00 0.00 O ATOM 960 CB ILE B 123 24.365 -19.249 -23.625 1.00 0.00 C ATOM 961 CG1 ILE B 123 23.086 -19.169 -24.461 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.561 -19.580 -24.505 1.00 0.00 C ATOM 963 CD1 ILE B 123 22.143 -18.072 -24.020 1.00 0.00 C ATOM 0 H ILE B 123 23.348 -18.750 -21.396 1.00 0.00 H new ATOM 0 HA ILE B 123 23.502 -21.064 -22.838 1.00 0.00 H new ATOM 0 HB ILE B 123 24.537 -18.276 -23.164 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.354 -19.009 -25.505 1.00 0.00 H new ATOM 0 HG13 ILE B 123 22.567 -20.126 -24.408 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.657 -18.827 -25.287 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.467 -19.591 -23.899 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.417 -20.560 -24.961 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.259 -18.075 -24.657 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.845 -18.242 -22.985 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.644 -17.107 -24.099 1.00 0.00 H new ATOM 975 N VAL B 124 26.445 -20.219 -21.572 1.00 0.00 N ATOM 976 CA VAL B 124 27.775 -20.723 -21.252 1.00 0.00 C ATOM 977 C VAL B 124 27.703 -21.858 -20.237 1.00 0.00 C ATOM 978 O VAL B 124 28.380 -22.877 -20.380 1.00 0.00 O ATOM 979 CB VAL B 124 28.679 -19.608 -20.696 1.00 0.00 C ATOM 980 CG1 VAL B 124 29.928 -20.200 -20.060 1.00 0.00 C ATOM 981 CG2 VAL B 124 29.047 -18.623 -21.795 1.00 0.00 C ATOM 0 H VAL B 124 26.260 -19.274 -21.234 1.00 0.00 H new ATOM 0 HA VAL B 124 28.204 -21.098 -22.182 1.00 0.00 H new ATOM 0 HB VAL B 124 28.128 -19.069 -19.925 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.555 -19.397 -19.673 1.00 0.00 H new ATOM 0 HG12 VAL B 124 29.641 -20.863 -19.243 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.484 -20.765 -20.808 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.686 -17.842 -21.384 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.579 -19.146 -22.590 1.00 0.00 H new ATOM 0 HG23 VAL B 124 28.140 -18.174 -22.200 1.00 0.00 H new ATOM 991 N LEU B 125 26.878 -21.676 -19.212 1.00 0.00 N ATOM 992 CA LEU B 125 26.717 -22.685 -18.171 1.00 0.00 C ATOM 993 C LEU B 125 26.370 -24.041 -18.777 1.00 0.00 C ATOM 994 O LEU B 125 26.816 -25.082 -18.292 1.00 0.00 O ATOM 995 CB LEU B 125 25.627 -22.260 -17.185 1.00 0.00 C ATOM 996 CG LEU B 125 26.095 -21.454 -15.973 1.00 0.00 C ATOM 997 CD1 LEU B 125 24.946 -21.237 -15.000 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.256 -22.155 -15.283 1.00 0.00 C ATOM 0 H LEU B 125 26.310 -20.839 -19.079 1.00 0.00 H new ATOM 0 HA LEU B 125 27.664 -22.777 -17.639 1.00 0.00 H new ATOM 0 HB2 LEU B 125 24.887 -21.669 -17.725 1.00 0.00 H new ATOM 0 HB3 LEU B 125 25.120 -23.156 -16.827 1.00 0.00 H new ATOM 0 HG LEU B 125 26.439 -20.479 -16.319 1.00 0.00 H new ATOM 0 HD11 LEU B 125 25.298 -20.662 -14.144 1.00 0.00 H new ATOM 0 HD12 LEU B 125 24.145 -20.692 -15.499 1.00 0.00 H new ATOM 0 HD13 LEU B 125 24.571 -22.202 -14.659 1.00 0.00 H new ATOM 0 HD21 LEU B 125 27.576 -21.567 -14.423 1.00 0.00 H new ATOM 0 HD22 LEU B 125 26.938 -23.143 -14.950 1.00 0.00 H new ATOM 0 HD23 LEU B 125 28.086 -22.258 -15.982 1.00 0.00 H new ATOM 1010 N LEU B 126 25.573 -24.022 -19.840 1.00 0.00 N ATOM 1011 CA LEU B 126 25.168 -25.250 -20.514 1.00 0.00 C ATOM 1012 C LEU B 126 26.384 -26.083 -20.906 1.00 0.00 C ATOM 1013 O LEU B 126 26.550 -27.213 -20.444 1.00 0.00 O ATOM 1014 CB LEU B 126 24.338 -24.923 -21.757 1.00 0.00 C ATOM 1015 CG LEU B 126 22.820 -24.961 -21.580 1.00 0.00 C ATOM 1016 CD1 LEU B 126 22.374 -26.330 -21.091 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.369 -23.875 -20.614 1.00 0.00 C ATOM 0 H LEU B 126 25.195 -23.170 -20.253 1.00 0.00 H new ATOM 0 HA LEU B 126 24.560 -25.832 -19.821 1.00 0.00 H new ATOM 0 HB2 LEU B 126 24.618 -23.929 -22.105 1.00 0.00 H new ATOM 0 HB3 LEU B 126 24.609 -25.625 -22.545 1.00 0.00 H new ATOM 0 HG LEU B 126 22.355 -24.775 -22.548 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.291 -26.338 -20.971 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.664 -27.088 -21.818 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.847 -26.546 -20.133 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.286 -23.917 -20.500 1.00 0.00 H new ATOM 0 HD22 LEU B 126 22.842 -24.031 -19.645 1.00 0.00 H new ATOM 0 HD23 LEU B 126 22.655 -22.899 -21.005 1.00 0.00 H new ATOM 1029 N ILE B 127 27.233 -25.518 -21.758 1.00 0.00 N ATOM 1030 CA ILE B 127 28.435 -26.207 -22.209 1.00 0.00 C ATOM 1031 C ILE B 127 29.265 -26.695 -21.026 1.00 0.00 C ATOM 1032 O ILE B 127 29.654 -27.862 -20.966 1.00 0.00 O ATOM 1033 CB ILE B 127 29.308 -25.298 -23.093 1.00 0.00 C ATOM 1034 CG1 ILE B 127 28.927 -25.463 -24.566 1.00 0.00 C ATOM 1035 CG2 ILE B 127 30.782 -25.611 -22.883 1.00 0.00 C ATOM 1036 CD1 ILE B 127 28.612 -24.156 -25.259 1.00 0.00 C ATOM 0 H ILE B 127 27.110 -24.584 -22.150 1.00 0.00 H new ATOM 0 HA ILE B 127 28.105 -27.063 -22.797 1.00 0.00 H new ATOM 0 HB ILE B 127 29.133 -24.261 -22.806 1.00 0.00 H new ATOM 0 HG12 ILE B 127 29.745 -25.955 -25.091 1.00 0.00 H new ATOM 0 HG13 ILE B 127 28.061 -26.121 -24.637 1.00 0.00 H new ATOM 0 HG21 ILE B 127 31.386 -24.960 -23.515 1.00 0.00 H new ATOM 0 HG22 ILE B 127 31.044 -25.446 -21.838 1.00 0.00 H new ATOM 0 HG23 ILE B 127 30.974 -26.651 -23.146 1.00 0.00 H new ATOM 0 HD11 ILE B 127 28.350 -24.350 -26.299 1.00 0.00 H new ATOM 0 HD12 ILE B 127 27.774 -23.671 -24.758 1.00 0.00 H new ATOM 0 HD13 ILE B 127 29.484 -23.504 -25.220 1.00 0.00 H new ATOM 1048 N HIS B 128 29.531 -25.794 -20.085 1.00 0.00 N ATOM 1049 CA HIS B 128 30.313 -26.133 -18.901 1.00 0.00 C ATOM 1050 C HIS B 128 29.822 -27.438 -18.281 1.00 0.00 C ATOM 1051 O HIS B 128 30.614 -28.235 -17.779 1.00 0.00 O ATOM 1052 CB HIS B 128 30.235 -25.005 -17.872 1.00 0.00 C ATOM 1053 CG HIS B 128 30.857 -25.352 -16.555 1.00 0.00 C ATOM 1054 ND1 HIS B 128 30.124 -25.755 -15.459 1.00 0.00 N ATOM 1055 CD2 HIS B 128 32.153 -25.356 -16.162 1.00 0.00 C ATOM 1056 CE1 HIS B 128 30.941 -25.990 -14.448 1.00 0.00 C ATOM 1057 NE2 HIS B 128 32.178 -25.756 -14.848 1.00 0.00 N ATOM 0 H HIS B 128 29.217 -24.824 -20.119 1.00 0.00 H new ATOM 0 HA HIS B 128 31.351 -26.264 -19.207 1.00 0.00 H new ATOM 0 HB2 HIS B 128 30.729 -24.121 -18.276 1.00 0.00 H new ATOM 0 HB3 HIS B 128 29.189 -24.741 -17.713 1.00 0.00 H new ATOM 0 HD2 HIS B 128 33.007 -25.094 -16.768 1.00 0.00 H new ATOM 0 HE1 HIS B 128 30.647 -26.318 -13.462 1.00 0.00 H new ATOM 0 HE2 HIS B 128 33.016 -25.856 -14.274 1.00 0.00 H new ATOM 1065 N PHE B 129 28.510 -27.649 -18.320 1.00 0.00 N ATOM 1066 CA PHE B 129 27.913 -28.856 -17.760 1.00 0.00 C ATOM 1067 C PHE B 129 27.690 -29.906 -18.845 1.00 0.00 C ATOM 1068 O PHE B 129 27.538 -31.092 -18.553 1.00 0.00 O ATOM 1069 CB PHE B 129 26.586 -28.524 -17.075 1.00 0.00 C ATOM 1070 CG PHE B 129 26.751 -27.926 -15.707 1.00 0.00 C ATOM 1071 CD1 PHE B 129 27.347 -28.649 -14.687 1.00 0.00 C ATOM 1072 CD2 PHE B 129 26.310 -26.639 -15.442 1.00 0.00 C ATOM 1073 CE1 PHE B 129 27.499 -28.101 -13.427 1.00 0.00 C ATOM 1074 CE2 PHE B 129 26.459 -26.086 -14.184 1.00 0.00 C ATOM 1075 CZ PHE B 129 27.055 -26.817 -13.176 1.00 0.00 C ATOM 0 H PHE B 129 27.840 -27.000 -18.733 1.00 0.00 H new ATOM 0 HA PHE B 129 28.603 -29.263 -17.021 1.00 0.00 H new ATOM 0 HB2 PHE B 129 26.027 -27.829 -17.702 1.00 0.00 H new ATOM 0 HB3 PHE B 129 25.990 -29.433 -16.996 1.00 0.00 H new ATOM 0 HD1 PHE B 129 27.697 -29.653 -14.878 1.00 0.00 H new ATOM 0 HD2 PHE B 129 25.845 -26.062 -16.227 1.00 0.00 H new ATOM 0 HE1 PHE B 129 27.964 -28.676 -12.640 1.00 0.00 H new ATOM 0 HE2 PHE B 129 26.109 -25.083 -13.990 1.00 0.00 H new ATOM 0 HZ PHE B 129 27.174 -26.386 -12.193 1.00 0.00 H new ATOM 1085 N GLU B 130 27.671 -29.460 -20.097 1.00 0.00 N ATOM 1086 CA GLU B 130 27.465 -30.360 -21.225 1.00 0.00 C ATOM 1087 C GLU B 130 28.701 -31.223 -21.465 1.00 0.00 C ATOM 1088 O GLU B 130 28.720 -32.063 -22.364 1.00 0.00 O ATOM 1089 CB GLU B 130 27.133 -29.563 -22.488 1.00 0.00 C ATOM 1090 CG GLU B 130 25.870 -30.033 -23.190 1.00 0.00 C ATOM 1091 CD GLU B 130 26.123 -31.193 -24.133 1.00 0.00 C ATOM 1092 OE1 GLU B 130 27.112 -31.133 -24.894 1.00 0.00 O ATOM 1093 OE2 GLU B 130 25.334 -32.160 -24.110 1.00 0.00 O ATOM 0 H GLU B 130 27.796 -28.481 -20.355 1.00 0.00 H new ATOM 0 HA GLU B 130 26.627 -31.014 -20.986 1.00 0.00 H new ATOM 0 HB2 GLU B 130 27.022 -28.511 -22.225 1.00 0.00 H new ATOM 0 HB3 GLU B 130 27.971 -29.632 -23.182 1.00 0.00 H new ATOM 0 HG2 GLU B 130 25.133 -30.331 -22.444 1.00 0.00 H new ATOM 0 HG3 GLU B 130 25.439 -29.202 -23.749 1.00 0.00 H new ATOM 1100 N GLY B 131 29.732 -31.008 -20.654 1.00 0.00 N ATOM 1101 CA GLY B 131 30.958 -31.773 -20.794 1.00 0.00 C ATOM 1102 C GLY B 131 32.174 -30.888 -20.988 1.00 0.00 C ATOM 1103 O GLY B 131 32.976 -31.115 -21.893 1.00 0.00 O ATOM 0 H GLY B 131 29.741 -30.318 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY B 131 31.100 -32.391 -19.908 1.00 0.00 H new ATOM 0 HA3 GLY B 131 30.866 -32.450 -21.643 1.00 0.00 H new ATOM 1107 N TRP B 132 32.309 -29.878 -20.137 1.00 0.00 N ATOM 1108 CA TRP B 132 33.436 -28.955 -20.221 1.00 0.00 C ATOM 1109 C TRP B 132 34.171 -28.871 -18.888 1.00 0.00 C ATOM 1110 O TRP B 132 34.915 -27.923 -18.637 1.00 0.00 O ATOM 1111 CB TRP B 132 32.953 -27.565 -20.639 1.00 0.00 C ATOM 1112 CG TRP B 132 33.628 -27.048 -21.873 1.00 0.00 C ATOM 1113 CD1 TRP B 132 33.818 -27.721 -23.046 1.00 0.00 C ATOM 1114 CD2 TRP B 132 34.204 -25.750 -22.055 1.00 0.00 C ATOM 1115 NE1 TRP B 132 34.478 -26.919 -23.947 1.00 0.00 N ATOM 1116 CE2 TRP B 132 34.725 -25.705 -23.363 1.00 0.00 C ATOM 1117 CE3 TRP B 132 34.329 -24.621 -21.241 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 35.361 -24.576 -23.873 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 34.960 -23.501 -21.748 1.00 0.00 C ATOM 1120 CH2 TRP B 132 35.469 -23.485 -23.054 1.00 0.00 C ATOM 0 H TRP B 132 31.654 -29.677 -19.382 1.00 0.00 H new ATOM 0 HA TRP B 132 34.128 -29.333 -20.973 1.00 0.00 H new ATOM 0 HB2 TRP B 132 31.877 -27.598 -20.809 1.00 0.00 H new ATOM 0 HB3 TRP B 132 33.125 -26.867 -19.820 1.00 0.00 H new ATOM 0 HD1 TRP B 132 33.497 -28.734 -23.238 1.00 0.00 H new ATOM 0 HE1 TRP B 132 34.741 -27.185 -24.896 1.00 0.00 H new ATOM 0 HE3 TRP B 132 33.939 -24.624 -20.234 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 35.755 -24.562 -24.879 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 35.063 -22.623 -21.127 1.00 0.00 H new ATOM 0 HH2 TRP B 132 35.956 -22.594 -23.421 1.00 0.00 H new