USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 ASN :FLIP amide:sc= -0.766 F(o=-2.5,f=-0.77) USER MOD Single : A 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN :FLIP amide:sc= -0.808 F(o=-2.5!,f=-0.81) USER MOD Single : B 37 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-12!) USER MOD Single : C 31 ASN :FLIP amide:sc= -1.07 F(o=-3.2!,f=-1.1) USER MOD Single : C 37 HIS : no HD1:sc= -9.45! C(o=-9.4!,f=-12!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.756 F(o=-2.3,f=-0.76) USER MOD Single : D 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.554 12.758 -5.304 1.00 0.00 N ATOM 108 CA VAL A 27 -1.255 12.512 -4.043 1.00 0.00 C ATOM 109 C VAL A 27 -2.629 11.890 -4.294 1.00 0.00 C ATOM 110 O VAL A 27 -2.983 10.881 -3.683 1.00 0.00 O ATOM 111 CB VAL A 27 -1.416 13.834 -3.283 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.332 13.642 -2.071 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.042 14.315 -2.808 1.00 0.00 C ATOM 0 HA VAL A 27 -0.667 11.813 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.860 14.574 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.437 14.589 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.312 13.303 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.899 12.898 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.153 15.255 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.398 13.567 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.608 14.466 -3.670 1.00 0.00 H new ATOM 123 N VAL A 28 -3.393 12.495 -5.194 1.00 0.00 N ATOM 124 CA VAL A 28 -4.723 11.985 -5.513 1.00 0.00 C ATOM 125 C VAL A 28 -4.622 10.649 -6.237 1.00 0.00 C ATOM 126 O VAL A 28 -5.384 9.722 -5.962 1.00 0.00 O ATOM 127 CB VAL A 28 -5.483 12.991 -6.382 1.00 0.00 C ATOM 128 CG1 VAL A 28 -5.767 14.255 -5.567 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.642 13.357 -7.605 1.00 0.00 C ATOM 0 H VAL A 28 -3.120 13.330 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.267 11.839 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.422 12.545 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.308 14.972 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.370 13.998 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.826 14.696 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.187 14.073 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.701 13.800 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.438 12.459 -8.188 1.00 0.00 H new ATOM 139 N ALA A 29 -3.678 10.561 -7.166 1.00 0.00 N ATOM 140 CA ALA A 29 -3.482 9.336 -7.930 1.00 0.00 C ATOM 141 C ALA A 29 -3.054 8.195 -7.013 1.00 0.00 C ATOM 142 O ALA A 29 -3.481 7.055 -7.186 1.00 0.00 O ATOM 143 CB ALA A 29 -2.413 9.554 -9.004 1.00 0.00 C ATOM 0 H ALA A 29 -3.040 11.319 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.427 9.073 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.273 8.633 -9.570 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.731 10.350 -9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.473 9.835 -8.530 1.00 0.00 H new ATOM 149 N ALA A 30 -2.210 8.508 -6.038 1.00 0.00 N ATOM 150 CA ALA A 30 -1.737 7.493 -5.104 1.00 0.00 C ATOM 151 C ALA A 30 -2.903 6.904 -4.320 1.00 0.00 C ATOM 152 O ALA A 30 -2.971 5.694 -4.108 1.00 0.00 O ATOM 153 CB ALA A 30 -0.724 8.104 -4.135 1.00 0.00 C ATOM 0 H ALA A 30 -1.842 9.445 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.257 6.697 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.376 7.338 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.124 8.498 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.196 8.912 -3.576 1.00 0.00 H new ATOM 159 N ASN A 31 -3.823 7.764 -3.896 1.00 0.00 N ATOM 160 CA ASN A 31 -4.981 7.309 -3.139 1.00 0.00 C ATOM 161 C ASN A 31 -5.866 6.407 -3.996 1.00 0.00 C ATOM 162 O ASN A 31 -6.338 5.369 -3.537 1.00 0.00 O ATOM 163 CB ASN A 31 -5.794 8.511 -2.653 1.00 0.00 C ATOM 164 CG ASN A 31 -7.056 8.035 -1.943 1.00 0.00 C ATOM 165 OD1 ASN A 31 -6.954 7.355 -0.834 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -8.165 8.285 -2.414 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.790 8.770 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.626 6.739 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.193 9.117 -1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.060 9.146 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.243 8.817 -3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.006 7.961 -1.937 1.00 0.00 H new ATOM 173 N ILE A 32 -6.084 6.810 -5.244 1.00 0.00 N ATOM 174 CA ILE A 32 -6.916 6.026 -6.152 1.00 0.00 C ATOM 175 C ILE A 32 -6.262 4.678 -6.447 1.00 0.00 C ATOM 176 O ILE A 32 -6.925 3.641 -6.442 1.00 0.00 O ATOM 177 CB ILE A 32 -7.130 6.799 -7.459 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.984 8.037 -7.177 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.849 5.908 -8.477 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.967 8.960 -8.396 1.00 0.00 C ATOM 0 H ILE A 32 -5.701 7.665 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.880 5.848 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.164 7.100 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.007 7.741 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.601 8.564 -6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.999 6.462 -9.404 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.245 5.023 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.816 5.604 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.576 9.841 -8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.942 9.267 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.371 8.431 -9.259 1.00 0.00 H new ATOM 192 N ILE A 33 -4.959 4.704 -6.703 1.00 0.00 N ATOM 193 CA ILE A 33 -4.223 3.482 -7.000 1.00 0.00 C ATOM 194 C ILE A 33 -4.214 2.542 -5.793 1.00 0.00 C ATOM 195 O ILE A 33 -4.411 1.337 -5.936 1.00 0.00 O ATOM 196 CB ILE A 33 -2.788 3.829 -7.414 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.812 4.534 -8.775 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.951 2.551 -7.520 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.433 5.131 -9.076 1.00 0.00 C ATOM 0 H ILE A 33 -4.394 5.553 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.720 2.969 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.346 4.485 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.090 3.827 -9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.566 5.321 -8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.933 2.806 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.934 2.046 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.390 1.890 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.456 5.631 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.172 5.852 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.689 4.335 -9.096 1.00 0.00 H new ATOM 211 N GLY A 34 -3.981 3.098 -4.607 1.00 0.00 N ATOM 212 CA GLY A 34 -3.946 2.287 -3.394 1.00 0.00 C ATOM 213 C GLY A 34 -5.303 1.639 -3.128 1.00 0.00 C ATOM 214 O GLY A 34 -5.388 0.450 -2.818 1.00 0.00 O ATOM 0 H GLY A 34 -3.816 4.094 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.183 1.514 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.664 2.909 -2.545 1.00 0.00 H new ATOM 218 N ILE A 35 -6.360 2.431 -3.260 1.00 0.00 N ATOM 219 CA ILE A 35 -7.712 1.934 -3.042 1.00 0.00 C ATOM 220 C ILE A 35 -8.052 0.865 -4.077 1.00 0.00 C ATOM 221 O ILE A 35 -8.634 -0.170 -3.752 1.00 0.00 O ATOM 222 CB ILE A 35 -8.706 3.097 -3.123 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.477 4.034 -1.930 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.137 2.555 -3.074 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.187 5.365 -2.175 1.00 0.00 C ATOM 0 H ILE A 35 -6.307 3.417 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.776 1.484 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.558 3.641 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.853 3.573 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.410 4.201 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.842 3.384 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.300 1.881 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.289 2.014 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.022 6.027 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.790 5.828 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.256 5.190 -2.296 1.00 0.00 H new ATOM 237 N LEU A 36 -7.675 1.124 -5.324 1.00 0.00 N ATOM 238 CA LEU A 36 -7.934 0.179 -6.403 1.00 0.00 C ATOM 239 C LEU A 36 -7.229 -1.142 -6.110 1.00 0.00 C ATOM 240 O LEU A 36 -7.763 -2.215 -6.387 1.00 0.00 O ATOM 241 CB LEU A 36 -7.443 0.752 -7.738 1.00 0.00 C ATOM 242 CG LEU A 36 -7.690 -0.248 -8.881 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.185 -0.601 -8.974 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.227 0.381 -10.201 1.00 0.00 C ATOM 0 H LEU A 36 -7.192 1.975 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.008 0.004 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.959 1.689 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.379 0.982 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.130 -1.162 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.342 -1.309 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.512 -1.048 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.761 0.304 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.398 -0.320 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.790 1.296 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.164 0.615 -10.140 1.00 0.00 H new ATOM 256 N HIS A 37 -6.027 -1.057 -5.548 1.00 0.00 N ATOM 257 CA HIS A 37 -5.268 -2.255 -5.222 1.00 0.00 C ATOM 258 C HIS A 37 -6.064 -3.133 -4.268 1.00 0.00 C ATOM 259 O HIS A 37 -6.101 -4.355 -4.418 1.00 0.00 O ATOM 260 CB HIS A 37 -3.936 -1.885 -4.567 1.00 0.00 C ATOM 261 CG HIS A 37 -3.155 -3.143 -4.295 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.929 -3.400 -4.886 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.428 -4.240 -3.517 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.518 -4.607 -4.458 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.395 -5.161 -3.622 1.00 0.00 N ATOM 0 H HIS A 37 -5.563 -0.180 -5.312 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.074 -2.798 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.367 -1.223 -5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.112 -1.343 -3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.314 -4.368 -2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.589 -5.071 -4.756 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.323 -6.067 -3.159 1.00 0.00 H new ATOM 273 N LEU A 38 -6.702 -2.506 -3.286 1.00 0.00 N ATOM 274 CA LEU A 38 -7.495 -3.245 -2.308 1.00 0.00 C ATOM 275 C LEU A 38 -8.638 -3.994 -2.984 1.00 0.00 C ATOM 276 O LEU A 38 -8.942 -5.124 -2.608 1.00 0.00 O ATOM 277 CB LEU A 38 -8.048 -2.282 -1.235 1.00 0.00 C ATOM 278 CG LEU A 38 -7.061 -2.168 -0.056 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.295 -0.859 0.697 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.264 -3.347 0.913 1.00 0.00 C ATOM 0 H LEU A 38 -6.687 -1.496 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.847 -3.978 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.217 -1.298 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.013 -2.642 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.044 -2.187 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.593 -0.787 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.144 -0.018 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.315 -0.837 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.563 -3.260 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.284 -3.332 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.088 -4.285 0.387 1.00 0.00 H new ATOM 292 N ILE A 39 -9.272 -3.370 -3.964 1.00 0.00 N ATOM 293 CA ILE A 39 -10.384 -4.018 -4.646 1.00 0.00 C ATOM 294 C ILE A 39 -9.909 -5.292 -5.350 1.00 0.00 C ATOM 295 O ILE A 39 -10.569 -6.327 -5.287 1.00 0.00 O ATOM 296 CB ILE A 39 -11.001 -3.060 -5.670 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.664 -1.893 -4.930 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.058 -3.800 -6.496 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.062 -0.802 -5.929 1.00 0.00 C ATOM 0 H ILE A 39 -9.043 -2.435 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.137 -4.285 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.222 -2.684 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.544 -2.245 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.979 -1.486 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.495 -3.116 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.592 -4.636 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.839 -4.175 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.533 0.025 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.173 -0.441 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.764 -1.212 -6.655 1.00 0.00 H new ATOM 311 N LEU A 40 -8.775 -5.211 -6.031 1.00 0.00 N ATOM 312 CA LEU A 40 -8.247 -6.375 -6.737 1.00 0.00 C ATOM 313 C LEU A 40 -7.670 -7.410 -5.754 1.00 0.00 C ATOM 314 O LEU A 40 -7.914 -8.610 -5.887 1.00 0.00 O ATOM 315 CB LEU A 40 -7.170 -5.915 -7.742 1.00 0.00 C ATOM 316 CG LEU A 40 -7.152 -6.827 -8.987 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.992 -8.289 -8.558 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.460 -6.658 -9.802 1.00 0.00 C ATOM 0 H LEU A 40 -8.208 -4.367 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.061 -6.859 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.364 -4.886 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.191 -5.928 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.309 -6.542 -9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.980 -8.928 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.056 -8.408 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.826 -8.573 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.430 -7.308 -10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.314 -6.926 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.557 -5.621 -10.124 1.00 0.00 H new ATOM 330 N TRP A 41 -6.900 -6.938 -4.773 1.00 0.00 N ATOM 331 CA TRP A 41 -6.282 -7.828 -3.784 1.00 0.00 C ATOM 332 C TRP A 41 -7.327 -8.506 -2.896 1.00 0.00 C ATOM 333 O TRP A 41 -7.251 -9.711 -2.653 1.00 0.00 O ATOM 334 CB TRP A 41 -5.290 -7.028 -2.927 1.00 0.00 C ATOM 335 CG TRP A 41 -4.809 -7.844 -1.763 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.780 -8.725 -1.794 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.295 -7.836 -0.390 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.622 -9.274 -0.533 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.529 -8.753 0.366 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.319 -7.131 0.266 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.775 -8.962 1.722 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.559 -7.338 1.632 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.788 -8.250 2.356 1.00 0.00 C ATOM 0 H TRP A 41 -6.689 -5.949 -4.640 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.754 -8.617 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.440 -6.722 -3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.768 -6.117 -2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.181 -8.961 -2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.921 -9.977 -0.298 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.924 -6.426 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.182 -9.673 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.346 -6.788 2.128 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.978 -8.402 3.408 1.00 0.00 H new ATOM 354 N ILE A 42 -8.293 -7.738 -2.402 1.00 0.00 N ATOM 355 CA ILE A 42 -9.323 -8.304 -1.537 1.00 0.00 C ATOM 356 C ILE A 42 -10.158 -9.320 -2.313 1.00 0.00 C ATOM 357 O ILE A 42 -10.499 -10.384 -1.797 1.00 0.00 O ATOM 358 CB ILE A 42 -10.221 -7.184 -0.979 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.045 -7.717 0.200 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.175 -6.675 -2.070 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.755 -6.551 0.894 1.00 0.00 C ATOM 0 H ILE A 42 -8.385 -6.738 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.843 -8.813 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.586 -6.364 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.776 -8.444 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.396 -8.234 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.804 -5.884 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.596 -6.284 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.803 -7.496 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.341 -6.929 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.014 -5.840 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.416 -6.053 0.184 1.00 0.00 H new ATOM 373 N LEU A 43 -10.474 -8.983 -3.559 1.00 0.00 N ATOM 374 CA LEU A 43 -11.257 -9.867 -4.412 1.00 0.00 C ATOM 375 C LEU A 43 -10.486 -11.155 -4.696 1.00 0.00 C ATOM 376 O LEU A 43 -11.066 -12.238 -4.745 1.00 0.00 O ATOM 377 CB LEU A 43 -11.598 -9.160 -5.732 1.00 0.00 C ATOM 378 CG LEU A 43 -12.751 -8.159 -5.514 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.918 -7.298 -6.773 1.00 0.00 C ATOM 380 CD2 LEU A 43 -14.072 -8.907 -5.214 1.00 0.00 C ATOM 0 H LEU A 43 -10.200 -8.105 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.182 -10.120 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.720 -8.638 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.882 -9.895 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.512 -7.524 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.732 -6.589 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.994 -6.754 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.147 -7.939 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.873 -8.184 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.322 -9.556 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.953 -9.509 -4.313 1.00 0.00 H new ATOM 392 N ASP A 44 -9.177 -11.028 -4.888 1.00 0.00 N ATOM 393 CA ASP A 44 -8.342 -12.189 -5.174 1.00 0.00 C ATOM 394 C ASP A 44 -8.391 -13.183 -4.017 1.00 0.00 C ATOM 395 O ASP A 44 -8.378 -14.394 -4.230 1.00 0.00 O ATOM 396 CB ASP A 44 -6.895 -11.749 -5.404 1.00 0.00 C ATOM 397 CG ASP A 44 -6.767 -11.050 -6.753 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.732 -11.062 -7.501 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.704 -10.514 -7.020 1.00 0.00 O ATOM 0 H ASP A 44 -8.675 -10.141 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.724 -12.673 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.580 -11.076 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.234 -12.615 -5.370 1.00 0.00 H new ATOM 404 N ARG A 45 -8.449 -12.666 -2.796 1.00 0.00 N ATOM 405 CA ARG A 45 -8.496 -13.522 -1.616 1.00 0.00 C ATOM 406 C ARG A 45 -9.738 -14.411 -1.652 1.00 0.00 C ATOM 407 O ARG A 45 -9.690 -15.575 -1.255 1.00 0.00 O ATOM 408 CB ARG A 45 -8.524 -12.661 -0.348 1.00 0.00 C ATOM 409 CG ARG A 45 -7.158 -11.982 -0.124 1.00 0.00 C ATOM 410 CD ARG A 45 -6.208 -12.924 0.627 1.00 0.00 C ATOM 411 NE ARG A 45 -6.786 -13.296 1.914 1.00 0.00 N ATOM 412 CZ ARG A 45 -6.177 -14.162 2.717 1.00 0.00 C ATOM 413 NH1 ARG A 45 -5.038 -14.690 2.363 1.00 0.00 N ATOM 414 NH2 ARG A 45 -6.718 -14.482 3.860 1.00 0.00 N ATOM 0 H ARG A 45 -8.465 -11.666 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.607 -14.153 -1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.303 -11.904 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.774 -13.280 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.721 -11.704 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.291 -11.061 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.023 -13.817 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.245 -12.437 0.779 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.673 -12.884 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.615 -14.438 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.571 -15.355 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.608 -14.068 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.251 -15.147 4.477 1.00 0.00 H new ATOM 617 N VAL B 27 6.878 11.972 0.479 1.00 0.00 N ATOM 618 CA VAL B 27 5.597 11.946 -0.228 1.00 0.00 C ATOM 619 C VAL B 27 5.769 11.415 -1.652 1.00 0.00 C ATOM 620 O VAL B 27 5.035 10.525 -2.086 1.00 0.00 O ATOM 621 CB VAL B 27 5.005 13.359 -0.271 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.779 13.393 -1.189 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.586 13.773 1.142 1.00 0.00 C ATOM 0 HA VAL B 27 4.921 11.280 0.307 1.00 0.00 H new ATOM 0 HB VAL B 27 5.757 14.047 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.368 14.402 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.071 13.099 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.024 12.702 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.164 14.778 1.117 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.839 13.075 1.519 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.457 13.761 1.798 1.00 0.00 H new ATOM 633 N VAL B 28 6.739 11.962 -2.372 1.00 0.00 N ATOM 634 CA VAL B 28 6.994 11.528 -3.741 1.00 0.00 C ATOM 635 C VAL B 28 7.541 10.106 -3.759 1.00 0.00 C ATOM 636 O VAL B 28 7.149 9.288 -4.591 1.00 0.00 O ATOM 637 CB VAL B 28 7.985 12.472 -4.426 1.00 0.00 C ATOM 638 CG1 VAL B 28 7.340 13.849 -4.598 1.00 0.00 C ATOM 639 CG2 VAL B 28 9.245 12.608 -3.568 1.00 0.00 C ATOM 0 H VAL B 28 7.358 12.700 -2.036 1.00 0.00 H new ATOM 0 HA VAL B 28 6.050 11.549 -4.285 1.00 0.00 H new ATOM 0 HB VAL B 28 8.253 12.067 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.045 14.523 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.443 13.757 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.072 14.250 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL B 28 9.948 13.281 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.978 13.011 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL B 28 9.707 11.629 -3.442 1.00 0.00 H new ATOM 649 N ALA B 29 8.450 9.824 -2.835 1.00 0.00 N ATOM 650 CA ALA B 29 9.052 8.498 -2.747 1.00 0.00 C ATOM 651 C ALA B 29 7.997 7.451 -2.405 1.00 0.00 C ATOM 652 O ALA B 29 8.024 6.338 -2.925 1.00 0.00 O ATOM 653 CB ALA B 29 10.144 8.490 -1.676 1.00 0.00 C ATOM 0 H ALA B 29 8.786 10.490 -2.139 1.00 0.00 H new ATOM 0 HA ALA B 29 9.489 8.255 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.588 7.496 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.914 9.217 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.709 8.751 -0.711 1.00 0.00 H new ATOM 659 N ALA B 30 7.068 7.816 -1.529 1.00 0.00 N ATOM 660 CA ALA B 30 6.012 6.892 -1.130 1.00 0.00 C ATOM 661 C ALA B 30 5.162 6.505 -2.335 1.00 0.00 C ATOM 662 O ALA B 30 4.799 5.340 -2.498 1.00 0.00 O ATOM 663 CB ALA B 30 5.126 7.541 -0.065 1.00 0.00 C ATOM 0 H ALA B 30 7.023 8.734 -1.086 1.00 0.00 H new ATOM 0 HA ALA B 30 6.473 5.994 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.340 6.845 0.228 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.730 7.794 0.806 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.676 8.448 -0.469 1.00 0.00 H new ATOM 669 N ASN B 31 4.852 7.484 -3.176 1.00 0.00 N ATOM 670 CA ASN B 31 4.045 7.224 -4.362 1.00 0.00 C ATOM 671 C ASN B 31 4.783 6.298 -5.325 1.00 0.00 C ATOM 672 O ASN B 31 4.194 5.369 -5.877 1.00 0.00 O ATOM 673 CB ASN B 31 3.718 8.541 -5.069 1.00 0.00 C ATOM 674 CG ASN B 31 2.954 8.264 -6.360 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.766 7.728 -6.302 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 3.455 8.541 -7.450 1.00 0.00 N flip ATOM 0 H ASN B 31 5.143 8.455 -3.061 1.00 0.00 H new ATOM 0 HA ASN B 31 3.121 6.739 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.123 9.177 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.638 9.083 -5.290 1.00 0.00 H new ATOM 0 HD21 ASN B 31 4.384 8.960 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN B 31 2.941 8.351 -8.310 1.00 0.00 H new ATOM 683 N ILE B 32 6.071 6.556 -5.523 1.00 0.00 N ATOM 684 CA ILE B 32 6.871 5.735 -6.425 1.00 0.00 C ATOM 685 C ILE B 32 6.990 4.312 -5.888 1.00 0.00 C ATOM 686 O ILE B 32 6.854 3.342 -6.633 1.00 0.00 O ATOM 687 CB ILE B 32 8.267 6.351 -6.585 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.148 7.681 -7.332 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.162 5.400 -7.387 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.475 8.436 -7.249 1.00 0.00 C ATOM 0 H ILE B 32 6.580 7.319 -5.076 1.00 0.00 H new ATOM 0 HA ILE B 32 6.378 5.700 -7.397 1.00 0.00 H new ATOM 0 HB ILE B 32 8.705 6.517 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.884 7.502 -8.374 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.348 8.282 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.153 5.840 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.245 4.449 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.726 5.234 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.389 9.383 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.720 8.628 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.264 7.836 -7.702 1.00 0.00 H new ATOM 702 N ILE B 33 7.246 4.199 -4.591 1.00 0.00 N ATOM 703 CA ILE B 33 7.383 2.893 -3.959 1.00 0.00 C ATOM 704 C ILE B 33 6.066 2.118 -4.015 1.00 0.00 C ATOM 705 O ILE B 33 6.055 0.922 -4.310 1.00 0.00 O ATOM 706 CB ILE B 33 7.838 3.066 -2.505 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.278 3.589 -2.484 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.775 1.724 -1.777 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.653 4.025 -1.065 1.00 0.00 C ATOM 0 H ILE B 33 7.362 4.991 -3.959 1.00 0.00 H new ATOM 0 HA ILE B 33 8.134 2.321 -4.504 1.00 0.00 H new ATOM 0 HB ILE B 33 7.180 3.776 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.961 2.812 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.379 4.429 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.100 1.854 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.751 1.350 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.429 1.009 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.678 4.396 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.979 4.816 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.570 3.174 -0.389 1.00 0.00 H new ATOM 721 N GLY B 34 4.960 2.797 -3.727 1.00 0.00 N ATOM 722 CA GLY B 34 3.653 2.144 -3.745 1.00 0.00 C ATOM 723 C GLY B 34 3.310 1.651 -5.147 1.00 0.00 C ATOM 724 O GLY B 34 2.848 0.521 -5.327 1.00 0.00 O ATOM 0 H GLY B 34 4.940 3.787 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.652 1.305 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.889 2.842 -3.403 1.00 0.00 H new ATOM 728 N ILE B 35 3.545 2.503 -6.138 1.00 0.00 N ATOM 729 CA ILE B 35 3.265 2.152 -7.525 1.00 0.00 C ATOM 730 C ILE B 35 4.156 0.991 -7.961 1.00 0.00 C ATOM 731 O ILE B 35 3.702 0.057 -8.622 1.00 0.00 O ATOM 732 CB ILE B 35 3.496 3.371 -8.421 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.434 4.431 -8.105 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.380 2.959 -9.893 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.851 5.774 -8.704 1.00 0.00 C ATOM 0 H ILE B 35 3.928 3.439 -6.008 1.00 0.00 H new ATOM 0 HA ILE B 35 2.224 1.841 -7.615 1.00 0.00 H new ATOM 0 HB ILE B 35 4.491 3.776 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.469 4.125 -8.510 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.311 4.526 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.545 3.829 -10.528 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.128 2.198 -10.118 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.385 2.556 -10.081 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.094 6.524 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.806 6.082 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.951 5.675 -9.785 1.00 0.00 H new ATOM 747 N LEU B 36 5.425 1.057 -7.575 1.00 0.00 N ATOM 748 CA LEU B 36 6.374 0.006 -7.919 1.00 0.00 C ATOM 749 C LEU B 36 5.915 -1.321 -7.324 1.00 0.00 C ATOM 750 O LEU B 36 6.054 -2.373 -7.946 1.00 0.00 O ATOM 751 CB LEU B 36 7.771 0.362 -7.396 1.00 0.00 C ATOM 752 CG LEU B 36 8.777 -0.752 -7.735 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.826 -0.990 -9.254 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.165 -0.335 -7.233 1.00 0.00 C ATOM 0 H LEU B 36 5.818 1.822 -7.027 1.00 0.00 H new ATOM 0 HA LEU B 36 6.420 -0.087 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.101 1.303 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.734 0.510 -6.317 1.00 0.00 H new ATOM 0 HG LEU B 36 8.465 -1.678 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.543 -1.781 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.838 -1.286 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.132 -0.072 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.887 -1.117 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.464 0.593 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.131 -0.184 -6.154 1.00 0.00 H new ATOM 766 N HIS B 37 5.364 -1.264 -6.114 1.00 0.00 N ATOM 767 CA HIS B 37 4.887 -2.468 -5.452 1.00 0.00 C ATOM 768 C HIS B 37 3.830 -3.149 -6.311 1.00 0.00 C ATOM 769 O HIS B 37 3.823 -4.373 -6.447 1.00 0.00 O ATOM 770 CB HIS B 37 4.280 -2.127 -4.090 1.00 0.00 C ATOM 771 CG HIS B 37 3.848 -3.400 -3.410 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.395 -3.826 -2.214 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.939 -4.363 -3.766 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.820 -4.999 -1.900 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.924 -5.372 -2.812 1.00 0.00 N ATOM 0 H HIS B 37 5.239 -0.405 -5.579 1.00 0.00 H new ATOM 0 HA HIS B 37 5.734 -3.138 -5.309 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.010 -1.601 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.427 -1.459 -4.215 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.326 -4.340 -4.655 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.056 -5.571 -1.015 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.351 -6.216 -2.810 1.00 0.00 H new ATOM 783 N LEU B 38 2.937 -2.352 -6.885 1.00 0.00 N ATOM 784 CA LEU B 38 1.874 -2.893 -7.727 1.00 0.00 C ATOM 785 C LEU B 38 2.451 -3.625 -8.934 1.00 0.00 C ATOM 786 O LEU B 38 1.935 -4.668 -9.326 1.00 0.00 O ATOM 787 CB LEU B 38 0.935 -1.758 -8.192 1.00 0.00 C ATOM 788 CG LEU B 38 -0.221 -1.572 -7.184 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.795 -0.162 -7.305 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.334 -2.595 -7.473 1.00 0.00 C ATOM 0 H LEU B 38 2.926 -1.337 -6.785 1.00 0.00 H new ATOM 0 HA LEU B 38 1.303 -3.609 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.496 -0.829 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.533 -1.990 -9.178 1.00 0.00 H new ATOM 0 HG LEU B 38 0.164 -1.724 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.610 -0.038 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.014 0.568 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.172 -0.008 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.147 -2.460 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.711 -2.446 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.934 -3.604 -7.380 1.00 0.00 H new ATOM 802 N ILE B 39 3.504 -3.080 -9.524 1.00 0.00 N ATOM 803 CA ILE B 39 4.099 -3.718 -10.691 1.00 0.00 C ATOM 804 C ILE B 39 4.634 -5.103 -10.328 1.00 0.00 C ATOM 805 O ILE B 39 4.442 -6.064 -11.069 1.00 0.00 O ATOM 806 CB ILE B 39 5.238 -2.848 -11.235 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.654 -1.545 -11.793 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.966 -3.597 -12.357 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.785 -0.561 -12.111 1.00 0.00 C ATOM 0 H ILE B 39 3.957 -2.217 -9.224 1.00 0.00 H new ATOM 0 HA ILE B 39 3.332 -3.829 -11.457 1.00 0.00 H new ATOM 0 HB ILE B 39 5.941 -2.625 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.076 -1.752 -12.694 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.969 -1.104 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.775 -2.977 -12.743 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.377 -4.528 -11.966 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.264 -3.819 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.363 0.363 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.345 -0.343 -11.201 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.453 -1.001 -12.851 1.00 0.00 H new ATOM 821 N LEU B 40 5.318 -5.205 -9.195 1.00 0.00 N ATOM 822 CA LEU B 40 5.871 -6.487 -8.772 1.00 0.00 C ATOM 823 C LEU B 40 4.760 -7.434 -8.274 1.00 0.00 C ATOM 824 O LEU B 40 4.740 -8.615 -8.616 1.00 0.00 O ATOM 825 CB LEU B 40 6.923 -6.250 -7.670 1.00 0.00 C ATOM 826 CG LEU B 40 8.042 -7.310 -7.740 1.00 0.00 C ATOM 827 CD1 LEU B 40 7.429 -8.715 -7.696 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.874 -7.139 -9.035 1.00 0.00 C ATOM 0 H LEU B 40 5.502 -4.428 -8.560 1.00 0.00 H new ATOM 0 HA LEU B 40 6.348 -6.966 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU B 40 7.352 -5.254 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.444 -6.285 -6.691 1.00 0.00 H new ATOM 0 HG LEU B 40 8.703 -7.177 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.223 -9.460 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.872 -8.840 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.756 -8.845 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.658 -7.895 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.224 -7.254 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU B 40 9.326 -6.147 -9.049 1.00 0.00 H new ATOM 840 N TRP B 41 3.848 -6.906 -7.457 1.00 0.00 N ATOM 841 CA TRP B 41 2.753 -7.710 -6.905 1.00 0.00 C ATOM 842 C TRP B 41 1.786 -8.182 -7.994 1.00 0.00 C ATOM 843 O TRP B 41 1.393 -9.348 -8.015 1.00 0.00 O ATOM 844 CB TRP B 41 2.004 -6.891 -5.843 1.00 0.00 C ATOM 845 CG TRP B 41 0.746 -7.591 -5.420 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.662 -8.551 -4.468 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.615 -7.367 -5.891 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.660 -8.945 -4.346 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.483 -8.241 -5.200 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.174 -6.500 -6.847 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.852 -8.254 -5.448 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.553 -6.510 -7.091 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.388 -7.385 -6.393 1.00 0.00 C ATOM 0 H TRP B 41 3.844 -5.929 -7.163 1.00 0.00 H new ATOM 0 HA TRP B 41 3.182 -8.601 -6.448 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.647 -6.735 -4.977 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.761 -5.906 -6.241 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.490 -8.945 -3.898 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.985 -9.667 -3.703 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.536 -5.823 -7.396 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.495 -8.935 -4.910 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.973 -5.837 -7.824 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.450 -7.387 -6.587 1.00 0.00 H new ATOM 864 N ILE B 42 1.398 -7.277 -8.889 1.00 0.00 N ATOM 865 CA ILE B 42 0.466 -7.641 -9.955 1.00 0.00 C ATOM 866 C ILE B 42 1.109 -8.676 -10.878 1.00 0.00 C ATOM 867 O ILE B 42 0.461 -9.635 -11.301 1.00 0.00 O ATOM 868 CB ILE B 42 0.058 -6.391 -10.754 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.177 -6.698 -11.609 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.206 -5.947 -11.673 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.715 -5.397 -12.213 1.00 0.00 C ATOM 0 H ILE B 42 1.706 -6.305 -8.900 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.429 -8.075 -9.510 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.171 -5.591 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.919 -7.400 -12.402 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.945 -7.174 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.903 -5.062 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.084 -5.713 -11.071 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.447 -6.751 -12.369 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.593 -5.614 -12.821 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.989 -4.710 -11.412 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.946 -4.940 -12.836 1.00 0.00 H new ATOM 883 N LEU B 43 2.387 -8.475 -11.176 1.00 0.00 N ATOM 884 CA LEU B 43 3.121 -9.394 -12.038 1.00 0.00 C ATOM 885 C LEU B 43 3.237 -10.767 -11.377 1.00 0.00 C ATOM 886 O LEU B 43 3.147 -11.796 -12.045 1.00 0.00 O ATOM 887 CB LEU B 43 4.520 -8.834 -12.333 1.00 0.00 C ATOM 888 CG LEU B 43 4.434 -7.722 -13.397 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.793 -7.019 -13.504 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.042 -8.313 -14.771 1.00 0.00 C ATOM 0 H LEU B 43 2.936 -7.686 -10.835 1.00 0.00 H new ATOM 0 HA LEU B 43 2.576 -9.503 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.962 -8.439 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.173 -9.633 -12.683 1.00 0.00 H new ATOM 0 HG LEU B 43 3.669 -7.005 -13.099 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.737 -6.231 -14.256 1.00 0.00 H new ATOM 0 HD12 LEU B 43 6.054 -6.583 -12.540 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.555 -7.743 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.986 -7.513 -15.509 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.792 -9.041 -15.081 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.071 -8.803 -14.693 1.00 0.00 H new ATOM 902 N ASP B 44 3.442 -10.776 -10.064 1.00 0.00 N ATOM 903 CA ASP B 44 3.576 -12.030 -9.330 1.00 0.00 C ATOM 904 C ASP B 44 2.301 -12.859 -9.450 1.00 0.00 C ATOM 905 O ASP B 44 2.357 -14.086 -9.540 1.00 0.00 O ATOM 906 CB ASP B 44 3.859 -11.745 -7.854 1.00 0.00 C ATOM 907 CG ASP B 44 5.286 -11.237 -7.683 1.00 0.00 C ATOM 908 OD1 ASP B 44 6.026 -11.267 -8.651 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.618 -10.825 -6.582 1.00 0.00 O ATOM 0 H ASP B 44 3.519 -9.937 -9.490 1.00 0.00 H new ATOM 0 HA ASP B 44 4.406 -12.592 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.153 -11.005 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.715 -12.652 -7.266 1.00 0.00 H new ATOM 914 N ARG B 45 1.157 -12.188 -9.453 1.00 0.00 N ATOM 915 CA ARG B 45 -0.124 -12.879 -9.562 1.00 0.00 C ATOM 916 C ARG B 45 -0.200 -13.659 -10.872 1.00 0.00 C ATOM 917 O ARG B 45 -0.744 -14.764 -10.917 1.00 0.00 O ATOM 918 CB ARG B 45 -1.271 -11.863 -9.507 1.00 0.00 C ATOM 919 CG ARG B 45 -1.409 -11.276 -8.089 1.00 0.00 C ATOM 920 CD ARG B 45 -2.276 -12.190 -7.213 1.00 0.00 C ATOM 921 NE ARG B 45 -3.599 -12.344 -7.806 1.00 0.00 N ATOM 922 CZ ARG B 45 -4.507 -13.146 -7.263 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.225 -13.809 -6.175 1.00 0.00 N ATOM 924 NH2 ARG B 45 -5.682 -13.268 -7.815 1.00 0.00 N ATOM 0 H ARG B 45 1.088 -11.173 -9.382 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.213 -13.576 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.088 -11.061 -10.222 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.204 -12.344 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.423 -11.159 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.855 -10.283 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.800 -13.165 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -2.365 -11.770 -6.211 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.831 -11.826 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.307 -13.711 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.923 -14.425 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -5.903 -12.747 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.380 -13.884 -7.398 1.00 0.00 H new ATOM 1127 N VAL C 27 0.963 11.349 7.846 1.00 0.00 N ATOM 1128 CA VAL C 27 1.654 11.339 6.556 1.00 0.00 C ATOM 1129 C VAL C 27 3.004 10.629 6.664 1.00 0.00 C ATOM 1130 O VAL C 27 3.321 9.754 5.859 1.00 0.00 O ATOM 1131 CB VAL C 27 1.864 12.780 6.078 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.764 12.801 4.839 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.509 13.399 5.728 1.00 0.00 C ATOM 0 HA VAL C 27 1.039 10.797 5.837 1.00 0.00 H new ATOM 0 HB VAL C 27 2.341 13.352 6.874 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.905 13.830 4.509 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.731 12.362 5.084 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.297 12.225 4.040 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.654 14.424 5.388 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.037 12.817 4.936 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -0.131 13.397 6.611 1.00 0.00 H new ATOM 1143 N VAL C 28 3.791 11.007 7.662 1.00 0.00 N ATOM 1144 CA VAL C 28 5.100 10.394 7.862 1.00 0.00 C ATOM 1145 C VAL C 28 4.949 8.942 8.298 1.00 0.00 C ATOM 1146 O VAL C 28 5.672 8.063 7.832 1.00 0.00 O ATOM 1147 CB VAL C 28 5.899 11.171 8.912 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.232 12.561 8.371 1.00 0.00 C ATOM 1149 CG2 VAL C 28 5.073 11.310 10.190 1.00 0.00 C ATOM 0 H VAL C 28 3.550 11.729 8.341 1.00 0.00 H new ATOM 0 HA VAL C 28 5.638 10.423 6.915 1.00 0.00 H new ATOM 0 HB VAL C 28 6.821 10.633 9.134 1.00 0.00 H new ATOM 0 HG11 VAL C 28 6.801 13.115 9.118 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.824 12.465 7.461 1.00 0.00 H new ATOM 0 HG13 VAL C 28 5.309 13.095 8.148 1.00 0.00 H new ATOM 0 HG21 VAL C 28 5.645 11.863 10.935 1.00 0.00 H new ATOM 0 HG22 VAL C 28 4.150 11.846 9.970 1.00 0.00 H new ATOM 0 HG23 VAL C 28 4.834 10.320 10.578 1.00 0.00 H new ATOM 1159 N ALA C 29 4.001 8.702 9.197 1.00 0.00 N ATOM 1160 CA ALA C 29 3.756 7.354 9.698 1.00 0.00 C ATOM 1161 C ALA C 29 3.286 6.441 8.569 1.00 0.00 C ATOM 1162 O ALA C 29 3.670 5.275 8.503 1.00 0.00 O ATOM 1163 CB ALA C 29 2.698 7.388 10.800 1.00 0.00 C ATOM 0 H ALA C 29 3.392 9.419 9.592 1.00 0.00 H new ATOM 0 HA ALA C 29 4.689 6.964 10.104 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.522 6.377 11.167 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.046 8.016 11.620 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.769 7.795 10.400 1.00 0.00 H new ATOM 1169 N ALA C 30 2.454 6.978 7.685 1.00 0.00 N ATOM 1170 CA ALA C 30 1.941 6.193 6.570 1.00 0.00 C ATOM 1171 C ALA C 30 3.084 5.731 5.674 1.00 0.00 C ATOM 1172 O ALA C 30 3.105 4.589 5.218 1.00 0.00 O ATOM 1173 CB ALA C 30 0.954 7.027 5.753 1.00 0.00 C ATOM 0 H ALA C 30 2.123 7.942 7.717 1.00 0.00 H new ATOM 0 HA ALA C 30 1.429 5.318 6.970 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.576 6.432 4.922 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.123 7.333 6.388 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.459 7.912 5.366 1.00 0.00 H new ATOM 1179 N ASN C 31 4.036 6.625 5.427 1.00 0.00 N ATOM 1180 CA ASN C 31 5.176 6.289 4.583 1.00 0.00 C ATOM 1181 C ASN C 31 6.025 5.199 5.232 1.00 0.00 C ATOM 1182 O ASN C 31 6.458 4.259 4.566 1.00 0.00 O ATOM 1183 CB ASN C 31 6.036 7.532 4.346 1.00 0.00 C ATOM 1184 CG ASN C 31 7.279 7.164 3.547 1.00 0.00 C ATOM 1185 OD1 ASN C 31 7.153 6.724 2.324 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 8.399 7.274 4.050 1.00 0.00 N flip ATOM 0 H ASN C 31 4.042 7.577 5.794 1.00 0.00 H new ATOM 0 HA ASN C 31 4.798 5.920 3.629 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.459 8.286 3.810 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.325 7.971 5.301 1.00 0.00 H new ATOM 0 HD21 ASN C 31 8.498 7.618 5.005 1.00 0.00 H new ATOM 0 HD22 ASN C 31 9.227 7.021 3.511 1.00 0.00 H new ATOM 1193 N ILE C 32 6.261 5.332 6.534 1.00 0.00 N ATOM 1194 CA ILE C 32 7.061 4.349 7.256 1.00 0.00 C ATOM 1195 C ILE C 32 6.356 2.993 7.273 1.00 0.00 C ATOM 1196 O ILE C 32 6.979 1.956 7.053 1.00 0.00 O ATOM 1197 CB ILE C 32 7.305 4.829 8.691 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.206 6.066 8.662 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.990 3.723 9.499 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.226 6.720 10.044 1.00 0.00 C ATOM 0 H ILE C 32 5.914 6.102 7.105 1.00 0.00 H new ATOM 0 HA ILE C 32 8.018 4.237 6.747 1.00 0.00 H new ATOM 0 HB ILE C 32 6.351 5.076 9.156 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.217 5.785 8.367 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.843 6.775 7.918 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.161 4.070 10.518 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.353 2.839 9.519 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.944 3.472 9.036 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.868 7.600 10.021 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.214 7.016 10.321 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.610 6.010 10.777 1.00 0.00 H new ATOM 1212 N ILE C 33 5.055 3.016 7.540 1.00 0.00 N ATOM 1213 CA ILE C 33 4.273 1.787 7.588 1.00 0.00 C ATOM 1214 C ILE C 33 4.227 1.116 6.214 1.00 0.00 C ATOM 1215 O ILE C 33 4.377 -0.101 6.106 1.00 0.00 O ATOM 1216 CB ILE C 33 2.851 2.096 8.075 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.903 2.507 9.552 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.968 0.855 7.925 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.550 3.082 9.977 1.00 0.00 C ATOM 0 H ILE C 33 4.523 3.866 7.725 1.00 0.00 H new ATOM 0 HA ILE C 33 4.750 1.099 8.285 1.00 0.00 H new ATOM 0 HB ILE C 33 2.433 2.907 7.479 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.153 1.645 10.170 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.688 3.248 9.706 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.960 1.081 8.273 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.932 0.558 6.877 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.382 0.040 8.519 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.592 3.373 11.027 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.318 3.956 9.368 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.775 2.328 9.840 1.00 0.00 H new ATOM 1231 N GLY C 34 4.015 1.909 5.169 1.00 0.00 N ATOM 1232 CA GLY C 34 3.949 1.365 3.814 1.00 0.00 C ATOM 1233 C GLY C 34 5.280 0.735 3.412 1.00 0.00 C ATOM 1234 O GLY C 34 5.320 -0.369 2.863 1.00 0.00 O ATOM 0 H GLY C 34 3.887 2.919 5.230 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.157 0.618 3.756 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.691 2.158 3.112 1.00 0.00 H new ATOM 1238 N ILE C 35 6.366 1.442 3.695 1.00 0.00 N ATOM 1239 CA ILE C 35 7.700 0.949 3.370 1.00 0.00 C ATOM 1240 C ILE C 35 7.998 -0.321 4.162 1.00 0.00 C ATOM 1241 O ILE C 35 8.539 -1.288 3.628 1.00 0.00 O ATOM 1242 CB ILE C 35 8.738 2.031 3.679 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.545 3.201 2.709 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.148 1.456 3.508 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.305 4.425 3.217 1.00 0.00 C ATOM 0 H ILE C 35 6.351 2.356 4.147 1.00 0.00 H new ATOM 0 HA ILE C 35 7.746 0.710 2.308 1.00 0.00 H new ATOM 0 HB ILE C 35 8.612 2.376 4.705 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.902 2.926 1.717 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.485 3.434 2.612 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.885 2.228 3.729 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.285 0.618 4.192 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.279 1.112 2.482 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.164 5.254 2.524 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.927 4.706 4.200 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.367 4.189 3.290 1.00 0.00 H new ATOM 1257 N LEU C 36 7.630 -0.307 5.439 1.00 0.00 N ATOM 1258 CA LEU C 36 7.853 -1.461 6.300 1.00 0.00 C ATOM 1259 C LEU C 36 7.097 -2.669 5.752 1.00 0.00 C ATOM 1260 O LEU C 36 7.591 -3.795 5.800 1.00 0.00 O ATOM 1261 CB LEU C 36 7.384 -1.154 7.729 1.00 0.00 C ATOM 1262 CG LEU C 36 7.593 -2.375 8.643 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.073 -2.796 8.650 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.153 -2.011 10.065 1.00 0.00 C ATOM 0 H LEU C 36 7.179 0.485 5.897 1.00 0.00 H new ATOM 0 HA LEU C 36 8.919 -1.686 6.321 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.935 -0.300 8.123 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.330 -0.876 7.720 1.00 0.00 H new ATOM 0 HG LEU C 36 6.999 -3.209 8.270 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.202 -3.660 9.301 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.382 -3.055 7.637 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.684 -1.971 9.016 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.297 -2.869 10.721 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.749 -1.173 10.427 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.100 -1.731 10.059 1.00 0.00 H new ATOM 1276 N HIS C 37 5.899 -2.424 5.228 1.00 0.00 N ATOM 1277 CA HIS C 37 5.094 -3.503 4.671 1.00 0.00 C ATOM 1278 C HIS C 37 5.858 -4.197 3.552 1.00 0.00 C ATOM 1279 O HIS C 37 5.847 -5.424 3.450 1.00 0.00 O ATOM 1280 CB HIS C 37 3.778 -2.955 4.116 1.00 0.00 C ATOM 1281 CG HIS C 37 2.949 -4.100 3.597 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.712 -4.423 4.127 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.180 -5.023 2.609 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.256 -5.498 3.465 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.111 -5.904 2.529 1.00 0.00 N ATOM 0 H HIS C 37 5.470 -1.500 5.178 1.00 0.00 H new ATOM 0 HA HIS C 37 4.878 -4.217 5.466 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.235 -2.420 4.895 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.975 -2.241 3.317 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.062 -5.059 1.987 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.309 -5.976 3.667 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.004 -6.692 1.891 1.00 0.00 H new ATOM 1293 N LEU C 38 6.519 -3.408 2.712 1.00 0.00 N ATOM 1294 CA LEU C 38 7.281 -3.963 1.600 1.00 0.00 C ATOM 1295 C LEU C 38 8.394 -4.876 2.099 1.00 0.00 C ATOM 1296 O LEU C 38 8.655 -5.917 1.500 1.00 0.00 O ATOM 1297 CB LEU C 38 7.873 -2.823 0.745 1.00 0.00 C ATOM 1298 CG LEU C 38 6.893 -2.432 -0.380 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.179 -1.006 -0.844 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.055 -3.393 -1.572 1.00 0.00 C ATOM 0 H LEU C 38 6.543 -2.390 2.779 1.00 0.00 H new ATOM 0 HA LEU C 38 6.604 -4.558 0.987 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.079 -1.957 1.374 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.824 -3.138 0.315 1.00 0.00 H new ATOM 0 HG LEU C 38 5.874 -2.494 0.003 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.484 -0.736 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.057 -0.319 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.201 -0.943 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.360 -3.112 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.076 -3.336 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.843 -4.412 -1.249 1.00 0.00 H new ATOM 1312 N ILE C 39 9.052 -4.487 3.180 1.00 0.00 N ATOM 1313 CA ILE C 39 10.138 -5.303 3.707 1.00 0.00 C ATOM 1314 C ILE C 39 9.615 -6.674 4.141 1.00 0.00 C ATOM 1315 O ILE C 39 10.233 -7.698 3.863 1.00 0.00 O ATOM 1316 CB ILE C 39 10.792 -4.597 4.899 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.499 -3.327 4.409 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.821 -5.530 5.550 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.941 -2.480 5.605 1.00 0.00 C ATOM 0 H ILE C 39 8.860 -3.631 3.701 1.00 0.00 H new ATOM 0 HA ILE C 39 10.880 -5.443 2.921 1.00 0.00 H new ATOM 0 HB ILE C 39 10.027 -4.335 5.630 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.364 -3.594 3.802 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.828 -2.750 3.772 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.285 -5.025 6.398 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.323 -6.436 5.895 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.587 -5.792 4.820 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.442 -1.580 5.248 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.068 -2.200 6.195 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.628 -3.056 6.225 1.00 0.00 H new ATOM 1331 N LEU C 40 8.484 -6.691 4.832 1.00 0.00 N ATOM 1332 CA LEU C 40 7.910 -7.953 5.290 1.00 0.00 C ATOM 1333 C LEU C 40 7.295 -8.743 4.118 1.00 0.00 C ATOM 1334 O LEU C 40 7.492 -9.951 4.003 1.00 0.00 O ATOM 1335 CB LEU C 40 6.853 -7.666 6.375 1.00 0.00 C ATOM 1336 CG LEU C 40 6.800 -8.812 7.408 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.581 -10.150 6.692 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.112 -8.864 8.231 1.00 0.00 C ATOM 0 H LEU C 40 7.950 -5.860 5.086 1.00 0.00 H new ATOM 0 HA LEU C 40 8.702 -8.570 5.714 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.088 -6.728 6.878 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.874 -7.543 5.912 1.00 0.00 H new ATOM 0 HG LEU C 40 5.969 -8.628 8.089 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.545 -10.954 7.427 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.641 -10.119 6.142 1.00 0.00 H new ATOM 0 HD13 LEU C 40 7.402 -10.330 5.998 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.056 -9.678 8.954 1.00 0.00 H new ATOM 0 HD22 LEU C 40 8.955 -9.031 7.561 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.249 -7.920 8.758 1.00 0.00 H new ATOM 1350 N TRP C 41 6.542 -8.051 3.261 1.00 0.00 N ATOM 1351 CA TRP C 41 5.891 -8.697 2.116 1.00 0.00 C ATOM 1352 C TRP C 41 6.909 -9.220 1.101 1.00 0.00 C ATOM 1353 O TRP C 41 6.787 -10.348 0.619 1.00 0.00 O ATOM 1354 CB TRP C 41 4.932 -7.701 1.446 1.00 0.00 C ATOM 1355 CG TRP C 41 4.421 -8.244 0.142 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.357 -9.071 -0.005 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.909 -7.972 -1.204 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.181 -9.341 -1.350 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.111 -8.684 -2.128 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.961 -7.190 -1.708 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.350 -8.621 -3.498 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.197 -7.121 -3.089 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.393 -7.835 -3.980 1.00 0.00 C ATOM 0 H TRP C 41 6.367 -7.049 3.336 1.00 0.00 H new ATOM 0 HA TRP C 41 5.332 -9.557 2.484 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.094 -7.493 2.111 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.445 -6.755 1.274 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.746 -9.456 0.798 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.453 -9.951 -1.721 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.593 -6.638 -1.028 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.729 -9.179 -4.183 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.005 -6.512 -3.466 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.580 -7.777 -5.042 1.00 0.00 H new ATOM 1374 N ILE C 42 7.905 -8.403 0.768 1.00 0.00 N ATOM 1375 CA ILE C 42 8.914 -8.818 -0.203 1.00 0.00 C ATOM 1376 C ILE C 42 9.709 -10.003 0.343 1.00 0.00 C ATOM 1377 O ILE C 42 10.008 -10.952 -0.382 1.00 0.00 O ATOM 1378 CB ILE C 42 9.856 -7.645 -0.528 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.657 -7.954 -1.798 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.827 -7.405 0.636 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.409 -6.697 -2.243 1.00 0.00 C ATOM 0 H ILE C 42 8.035 -7.466 1.148 1.00 0.00 H new ATOM 0 HA ILE C 42 8.414 -9.125 -1.122 1.00 0.00 H new ATOM 0 HB ILE C 42 9.254 -6.750 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.361 -8.765 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.988 -8.291 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.488 -6.573 0.393 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.262 -7.169 1.538 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.422 -8.303 0.805 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.979 -6.915 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.695 -5.899 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.089 -6.381 -1.452 1.00 0.00 H new ATOM 1393 N LEU C 43 10.038 -9.939 1.629 1.00 0.00 N ATOM 1394 CA LEU C 43 10.787 -11.006 2.277 1.00 0.00 C ATOM 1395 C LEU C 43 9.967 -12.296 2.299 1.00 0.00 C ATOM 1396 O LEU C 43 10.505 -13.388 2.120 1.00 0.00 O ATOM 1397 CB LEU C 43 11.155 -10.597 3.711 1.00 0.00 C ATOM 1398 CG LEU C 43 12.344 -9.616 3.692 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.545 -9.038 5.100 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.636 -10.336 3.237 1.00 0.00 C ATOM 0 H LEU C 43 9.797 -9.160 2.241 1.00 0.00 H new ATOM 0 HA LEU C 43 11.701 -11.181 1.710 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.297 -10.132 4.197 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.412 -11.481 4.295 1.00 0.00 H new ATOM 0 HG LEU C 43 12.128 -8.812 2.988 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.385 -8.343 5.092 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.642 -8.512 5.410 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.751 -9.848 5.800 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.464 -9.627 3.230 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.861 -11.150 3.926 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.494 -10.738 2.234 1.00 0.00 H new ATOM 1412 N ASP C 44 8.664 -12.160 2.523 1.00 0.00 N ATOM 1413 CA ASP C 44 7.785 -13.323 2.570 1.00 0.00 C ATOM 1414 C ASP C 44 7.796 -14.062 1.235 1.00 0.00 C ATOM 1415 O ASP C 44 7.735 -15.291 1.196 1.00 0.00 O ATOM 1416 CB ASP C 44 6.357 -12.885 2.894 1.00 0.00 C ATOM 1417 CG ASP C 44 6.252 -12.478 4.360 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.211 -12.689 5.085 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.211 -11.964 4.738 1.00 0.00 O ATOM 0 H ASP C 44 8.197 -11.266 2.673 1.00 0.00 H new ATOM 0 HA ASP C 44 8.148 -13.994 3.348 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.071 -12.049 2.255 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.663 -13.699 2.684 1.00 0.00 H new ATOM 1424 N ARG C 45 7.873 -13.309 0.144 1.00 0.00 N ATOM 1425 CA ARG C 45 7.887 -13.908 -1.184 1.00 0.00 C ATOM 1426 C ARG C 45 9.092 -14.832 -1.342 1.00 0.00 C ATOM 1427 O ARG C 45 9.000 -15.888 -1.968 1.00 0.00 O ATOM 1428 CB ARG C 45 7.948 -12.808 -2.252 1.00 0.00 C ATOM 1429 CG ARG C 45 6.609 -12.047 -2.322 1.00 0.00 C ATOM 1430 CD ARG C 45 5.624 -12.780 -3.243 1.00 0.00 C ATOM 1431 NE ARG C 45 6.184 -12.898 -4.583 1.00 0.00 N ATOM 1432 CZ ARG C 45 5.540 -13.554 -5.542 1.00 0.00 C ATOM 1433 NH1 ARG C 45 4.382 -14.102 -5.295 1.00 0.00 N ATOM 1434 NH2 ARG C 45 6.066 -13.649 -6.732 1.00 0.00 N ATOM 0 H ARG C 45 7.926 -12.290 0.152 1.00 0.00 H new ATOM 0 HA ARG C 45 6.974 -14.490 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.756 -12.114 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.174 -13.248 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG C 45 6.183 -11.955 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.777 -11.035 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG C 45 5.408 -13.770 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG C 45 4.679 -12.239 -3.282 1.00 0.00 H new ATOM 0 HE ARG C 45 7.086 -12.469 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG C 45 3.970 -14.027 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.888 -14.605 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG C 45 6.971 -13.220 -6.925 1.00 0.00 H new ATOM 0 HH22 ARG C 45 5.572 -14.152 -7.469 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.451 12.084 2.190 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.177 11.857 2.869 1.00 0.00 C ATOM 1639 C VAL D 27 -5.373 11.043 4.147 1.00 0.00 C ATOM 1640 O VAL D 27 -4.678 10.054 4.379 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.532 13.206 3.209 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.305 12.997 4.101 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.103 13.904 1.916 1.00 0.00 C ATOM 0 HA VAL D 27 -4.526 11.292 2.202 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.258 13.821 3.741 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.857 13.963 4.335 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.607 12.504 5.025 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.577 12.376 3.579 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.644 14.863 2.155 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.383 13.279 1.387 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.976 14.067 1.284 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.325 11.464 4.971 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.602 10.759 6.219 1.00 0.00 C ATOM 1655 C VAL D 28 -7.206 9.389 5.937 1.00 0.00 C ATOM 1656 O VAL D 28 -6.852 8.397 6.574 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.556 11.576 7.092 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -6.858 12.857 7.550 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -8.806 11.942 6.290 1.00 0.00 C ATOM 0 H VAL D 28 -6.913 12.280 4.802 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.660 10.625 6.751 1.00 0.00 H new ATOM 0 HB VAL D 28 -7.843 10.983 7.961 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -7.538 13.439 8.172 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -5.969 12.601 8.126 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.569 13.445 6.679 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -9.483 12.524 6.916 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -8.520 12.532 5.419 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -9.308 11.031 5.962 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.121 9.344 4.976 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.776 8.094 4.611 1.00 0.00 C ATOM 1671 C ALA D 29 -7.761 7.103 4.051 1.00 0.00 C ATOM 1672 O ALA D 29 -7.835 5.906 4.326 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.861 8.357 3.565 1.00 0.00 C ATOM 0 H ALA D 29 -8.425 10.155 4.437 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.230 7.669 5.506 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.345 7.417 3.298 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.602 9.043 3.974 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.410 8.798 2.676 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.815 7.606 3.267 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.797 6.746 2.679 1.00 0.00 C ATOM 1681 C ALA D 30 -4.967 6.079 3.771 1.00 0.00 C ATOM 1682 O ALA D 30 -4.649 4.892 3.681 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.881 7.568 1.770 1.00 0.00 C ATOM 0 H ALA D 30 -6.732 8.594 3.026 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.294 5.974 2.091 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.122 6.918 1.334 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.471 8.022 0.974 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.396 8.351 2.354 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.621 6.844 4.800 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.830 6.306 5.901 1.00 0.00 C ATOM 1691 C ASN D 31 -4.608 5.227 6.647 1.00 0.00 C ATOM 1692 O ASN D 31 -4.061 4.179 6.988 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.454 7.430 6.869 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.709 6.854 8.068 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.543 6.294 7.893 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 -3.202 6.914 9.194 1.00 0.00 N flip ATOM 0 H ASN D 31 -4.872 7.828 4.895 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.924 5.861 5.489 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -2.830 8.166 6.361 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.352 7.950 7.203 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -4.113 7.352 9.329 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.699 6.526 9.992 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.887 5.488 6.900 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.725 4.528 7.609 1.00 0.00 C ATOM 1705 C ILE D 32 -6.898 3.257 6.782 1.00 0.00 C ATOM 1706 O ILE D 32 -6.805 2.145 7.303 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.095 5.150 7.903 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.924 6.285 8.916 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.032 4.088 8.488 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.218 7.095 9.000 1.00 0.00 C ATOM 0 H ILE D 32 -6.362 6.348 6.627 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.239 4.268 8.549 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.523 5.538 6.978 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.674 5.877 9.895 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.097 6.930 8.619 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.004 4.535 8.695 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.152 3.274 7.772 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.607 3.698 9.413 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.095 7.903 9.721 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.449 7.515 8.021 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.034 6.446 9.318 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.152 3.431 5.489 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.340 2.294 4.597 1.00 0.00 C ATOM 1724 C ILE D 33 -6.055 1.472 4.481 1.00 0.00 C ATOM 1725 O ILE D 33 -6.094 0.244 4.515 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.780 2.791 3.213 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.197 3.366 3.310 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.768 1.631 2.215 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.544 4.110 2.017 1.00 0.00 C ATOM 0 H ILE D 33 -7.232 4.343 5.038 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.115 1.650 5.012 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.091 3.563 2.871 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.914 2.563 3.482 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.267 4.044 4.161 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.081 1.991 1.235 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.760 1.221 2.146 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.454 0.854 2.552 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.552 4.517 2.091 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.835 4.923 1.864 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.492 3.420 1.175 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.923 2.154 4.340 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.642 1.463 4.216 1.00 0.00 C ATOM 1743 C GLY D 34 -3.325 0.668 5.480 1.00 0.00 C ATOM 1744 O GLY D 34 -2.909 -0.492 5.415 1.00 0.00 O ATOM 0 H GLY D 34 -4.864 3.172 4.309 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.668 0.792 3.357 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.850 2.188 4.030 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.529 1.299 6.629 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.271 0.651 7.910 1.00 0.00 C ATOM 1750 C ILE D 35 -4.209 -0.539 8.092 1.00 0.00 C ATOM 1751 O ILE D 35 -3.796 -1.609 8.541 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.455 1.662 9.045 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.347 2.719 8.953 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.362 0.945 10.395 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.711 3.925 9.818 1.00 0.00 C ATOM 0 H ILE D 35 -3.872 2.257 6.701 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.244 0.285 7.930 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.432 2.137 8.958 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.399 2.295 9.284 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.213 3.030 7.917 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.493 1.667 11.201 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.141 0.186 10.458 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.385 0.471 10.489 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.921 4.673 9.750 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.649 4.355 9.467 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.822 3.609 10.855 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.473 -0.343 7.735 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.466 -1.403 7.854 1.00 0.00 C ATOM 1769 C LEU D 36 -6.058 -2.589 6.987 1.00 0.00 C ATOM 1770 O LEU D 36 -6.240 -3.743 7.373 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.845 -0.887 7.422 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.896 -2.006 7.522 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.962 -2.559 8.956 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.264 -1.437 7.128 1.00 0.00 C ATOM 0 H LEU D 36 -5.833 0.536 7.363 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.522 -1.722 8.895 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.139 -0.047 8.052 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.796 -0.516 6.398 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.619 -2.819 6.851 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.711 -3.349 9.007 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -7.989 -2.963 9.235 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.233 -1.757 9.643 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.017 -2.222 7.195 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.527 -0.622 7.803 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.221 -1.062 6.106 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.500 -2.298 5.815 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.068 -3.354 4.909 1.00 0.00 C ATOM 1788 C HIS D 37 -4.041 -4.243 5.599 1.00 0.00 C ATOM 1789 O HIS D 37 -4.086 -5.465 5.473 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.444 -2.755 3.647 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.062 -3.872 2.712 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.623 -4.014 1.455 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.192 -4.923 2.851 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.092 -5.116 0.896 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.213 -5.706 1.704 1.00 0.00 N ATOM 0 H HIS D 37 -5.338 -1.350 5.474 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.940 -3.946 4.631 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.150 -2.082 3.161 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.566 -2.163 3.905 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.582 -5.113 3.722 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.347 -5.479 -0.089 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.672 -6.551 1.520 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.121 -3.621 6.326 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.083 -4.372 7.030 1.00 0.00 C ATOM 1805 C LEU D 38 -2.694 -5.320 8.054 1.00 0.00 C ATOM 1806 O LEU D 38 -2.222 -6.444 8.214 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.102 -3.400 7.719 1.00 0.00 C ATOM 1808 CG LEU D 38 0.066 -3.051 6.768 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.695 -1.721 7.184 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.134 -4.156 6.829 1.00 0.00 C ATOM 0 H LEU D 38 -3.070 -2.609 6.445 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.538 -4.970 6.300 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.626 -2.490 8.011 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.714 -3.851 8.632 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.318 -2.969 5.751 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.517 -1.481 6.510 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.056 -0.932 7.136 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.073 -1.800 8.203 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.955 -3.906 6.157 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.512 -4.241 7.848 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.693 -5.105 6.525 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.727 -4.871 8.753 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.354 -5.716 9.761 1.00 0.00 C ATOM 1824 C ILE D 39 -4.943 -6.971 9.114 1.00 0.00 C ATOM 1825 O ILE D 39 -4.791 -8.075 9.632 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.458 -4.938 10.483 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.825 -3.809 11.301 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.221 -5.880 11.423 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.918 -2.871 11.827 1.00 0.00 C ATOM 0 H ILE D 39 -4.142 -3.946 8.645 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.595 -6.017 10.483 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.149 -4.521 9.750 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.258 -4.225 12.134 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.121 -3.251 10.684 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.006 -5.325 11.936 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.667 -6.689 10.844 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.532 -6.297 12.158 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.461 -2.070 12.408 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.466 -2.443 10.987 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.605 -3.432 12.460 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.626 -6.802 7.990 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.228 -7.942 7.305 1.00 0.00 C ATOM 1843 C LEU D 40 -5.156 -8.804 6.613 1.00 0.00 C ATOM 1844 O LEU D 40 -5.185 -10.033 6.696 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.267 -7.435 6.286 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.426 -8.440 6.133 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -7.871 -9.826 5.787 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.257 -8.516 7.439 1.00 0.00 C ATOM 0 H LEU D 40 -5.777 -5.901 7.537 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.726 -8.573 8.041 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -7.658 -6.470 6.609 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -6.787 -7.277 5.320 1.00 0.00 H new ATOM 0 HG LEU D 40 -9.076 -8.101 5.327 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -8.695 -10.532 5.680 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -7.316 -9.772 4.851 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -7.207 -10.161 6.584 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.070 -9.230 7.312 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -8.616 -8.838 8.260 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -9.670 -7.533 7.665 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.219 -8.153 5.924 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.155 -8.866 5.209 1.00 0.00 C ATOM 1862 C TRP D 41 -2.213 -9.597 6.171 1.00 0.00 C ATOM 1863 O TRP D 41 -1.867 -10.756 5.940 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.368 -7.872 4.343 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.136 -8.517 3.776 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.086 -9.258 2.644 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.229 -8.455 4.280 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.217 -9.672 2.437 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.064 -9.198 3.417 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.818 -7.832 5.396 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.432 -9.321 3.655 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.196 -7.951 5.629 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.996 -8.693 4.760 1.00 0.00 C ATOM 0 H TRP D 41 -4.173 -7.137 5.844 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.618 -9.622 4.574 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.000 -7.509 3.532 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.088 -7.005 4.941 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.927 -9.488 2.007 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.515 -10.256 1.656 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.206 -7.259 6.077 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.050 -9.901 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.640 -7.466 6.486 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.056 -8.780 4.946 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.791 -8.922 7.234 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.879 -9.540 8.194 1.00 0.00 C ATOM 1886 C ILE D 42 -1.565 -10.721 8.878 1.00 0.00 C ATOM 1887 O ILE D 42 -0.959 -11.772 9.085 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.424 -8.505 9.238 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.795 -9.038 10.001 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.556 -8.220 10.235 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.383 -7.918 10.867 1.00 0.00 C ATOM 0 H ILE D 42 -2.059 -7.962 7.453 1.00 0.00 H new ATOM 0 HA ILE D 42 0.000 -9.905 7.663 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.161 -7.583 8.720 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.506 -9.883 10.626 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.546 -9.403 9.300 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.220 -7.486 10.967 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.422 -7.829 9.701 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.832 -9.143 10.746 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.250 -8.295 11.410 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.687 -7.087 10.230 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.631 -7.574 11.577 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.837 -10.537 9.219 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.611 -11.587 9.868 1.00 0.00 C ATOM 1905 C LEU D 43 -3.779 -12.782 8.932 1.00 0.00 C ATOM 1906 O LEU D 43 -3.736 -13.931 9.365 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.988 -11.046 10.282 1.00 0.00 C ATOM 1908 CG LEU D 43 -4.861 -10.188 11.556 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.192 -9.470 11.817 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -4.501 -11.073 12.773 1.00 0.00 C ATOM 0 H LEU D 43 -3.352 -9.672 9.057 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.075 -11.915 10.759 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.411 -10.449 9.474 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.674 -11.874 10.459 1.00 0.00 H new ATOM 0 HG LEU D 43 -4.067 -9.456 11.412 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.107 -8.862 12.717 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.433 -8.830 10.968 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -6.983 -10.208 11.951 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -4.415 -10.450 13.663 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -5.282 -11.818 12.925 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -3.551 -11.575 12.589 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.980 -12.501 7.648 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.161 -13.563 6.666 1.00 0.00 C ATOM 1924 C ASP D 44 -2.923 -14.452 6.600 1.00 0.00 C ATOM 1925 O ASP D 44 -3.029 -15.665 6.425 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.426 -12.960 5.284 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.829 -12.365 5.232 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.575 -12.568 6.174 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -6.136 -11.718 4.244 1.00 0.00 O ATOM 0 H ASP D 44 -4.021 -11.556 7.266 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.015 -14.168 6.971 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.687 -12.188 5.068 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -4.319 -13.727 4.517 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.752 -13.842 6.743 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.502 -14.594 6.695 1.00 0.00 C ATOM 1936 C ARG D 45 -0.461 -15.637 7.808 1.00 0.00 C ATOM 1937 O ARG D 45 0.037 -16.747 7.615 1.00 0.00 O ATOM 1938 CB ARG D 45 0.685 -13.636 6.852 1.00 0.00 C ATOM 1939 CG ARG D 45 0.853 -12.768 5.590 1.00 0.00 C ATOM 1940 CD ARG D 45 1.685 -13.511 4.536 1.00 0.00 C ATOM 1941 NE ARG D 45 2.998 -13.842 5.079 1.00 0.00 N ATOM 1942 CZ ARG D 45 3.875 -14.547 4.374 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.572 -14.951 3.172 1.00 0.00 N ATOM 1944 NH2 ARG D 45 5.042 -14.831 4.884 1.00 0.00 N ATOM 0 H ARG D 45 -1.641 -12.839 6.892 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.440 -15.102 5.733 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.531 -12.997 7.721 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.597 -14.205 7.032 1.00 0.00 H new ATOM 0 HG2 ARG D 45 -0.126 -12.518 5.180 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.339 -11.828 5.850 1.00 0.00 H new ATOM 0 HD2 ARG D 45 1.169 -14.421 4.229 1.00 0.00 H new ATOM 0 HD3 ARG D 45 1.796 -12.892 3.646 1.00 0.00 H new ATOM 0 HE ARG D 45 3.247 -13.526 6.017 1.00 0.00 H new ATOM 0 HH11 ARG D 45 2.661 -14.726 2.773 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.246 -15.493 2.631 1.00 0.00 H new ATOM 0 HH21 ARG D 45 5.280 -14.512 5.823 1.00 0.00 H new ATOM 0 HH22 ARG D 45 5.717 -15.372 4.344 1.00 0.00 H new