USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=0 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 : amide:sc= -0.146 X(o=-0.15,f=-0.51) USER MOD Single : A 37 HIS : no HD1:sc= -5.47! X(o=-5.5!,f=-5.1) USER MOD Single : B 31 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.54) USER MOD Single : B 37 HIS : no HD1:sc= -5.57! K(o=-5.6!,f=-4.9) USER MOD Single : C 31 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.52) USER MOD Single : C 37 HIS : no HD1:sc= -5.6! X(o=-5.6!,f=-5.7) USER MOD Single : D 31 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.57) USER MOD Single : D 37 HIS : no HD1:sc= -5.57! K(o=-5.6!,f=-4.9) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 0.062 12.231 -6.057 1.00 0.00 N ATOM 108 CA VAL A 27 -0.590 11.984 -4.777 1.00 0.00 C ATOM 109 C VAL A 27 -2.049 11.591 -4.990 1.00 0.00 C ATOM 110 O VAL A 27 -2.539 10.638 -4.387 1.00 0.00 O ATOM 111 CB VAL A 27 -0.514 13.238 -3.903 1.00 0.00 C ATOM 112 CG1 VAL A 27 -1.333 13.030 -2.625 1.00 0.00 C ATOM 113 CG2 VAL A 27 0.946 13.512 -3.529 1.00 0.00 C ATOM 0 HA VAL A 27 -0.075 11.164 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.917 14.086 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.276 13.926 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.373 12.836 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.934 12.180 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.001 14.405 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.346 12.661 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.531 13.665 -4.436 1.00 0.00 H new ATOM 123 N VAL A 28 -2.741 12.336 -5.844 1.00 0.00 N ATOM 124 CA VAL A 28 -4.146 12.056 -6.115 1.00 0.00 C ATOM 125 C VAL A 28 -4.305 10.674 -6.742 1.00 0.00 C ATOM 126 O VAL A 28 -5.139 9.880 -6.309 1.00 0.00 O ATOM 127 CB VAL A 28 -4.712 13.118 -7.062 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.139 12.741 -7.473 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.729 14.475 -6.354 1.00 0.00 C ATOM 0 H VAL A 28 -2.357 13.130 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.693 12.079 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.085 13.176 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.536 13.500 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.129 11.776 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.769 12.678 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.132 15.232 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.354 14.413 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.714 14.748 -6.067 1.00 0.00 H new ATOM 139 N ALA A 29 -3.497 10.391 -7.759 1.00 0.00 N ATOM 140 CA ALA A 29 -3.566 9.102 -8.440 1.00 0.00 C ATOM 141 C ALA A 29 -3.213 7.973 -7.482 1.00 0.00 C ATOM 142 O ALA A 29 -3.789 6.888 -7.547 1.00 0.00 O ATOM 143 CB ALA A 29 -2.600 9.082 -9.629 1.00 0.00 C ATOM 0 H ALA A 29 -2.793 11.030 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.585 8.958 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.660 8.116 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.870 9.872 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.582 9.244 -9.274 1.00 0.00 H new ATOM 149 N ALA A 30 -2.260 8.233 -6.596 1.00 0.00 N ATOM 150 CA ALA A 30 -1.843 7.224 -5.638 1.00 0.00 C ATOM 151 C ALA A 30 -3.030 6.778 -4.801 1.00 0.00 C ATOM 152 O ALA A 30 -3.171 5.599 -4.483 1.00 0.00 O ATOM 153 CB ALA A 30 -0.755 7.793 -4.726 1.00 0.00 C ATOM 0 H ALA A 30 -1.768 9.123 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.446 6.365 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.446 7.032 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.103 8.095 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.145 8.658 -4.190 1.00 0.00 H new ATOM 159 N ASN A 31 -3.885 7.729 -4.450 1.00 0.00 N ATOM 160 CA ASN A 31 -5.060 7.414 -3.649 1.00 0.00 C ATOM 161 C ASN A 31 -6.001 6.493 -4.422 1.00 0.00 C ATOM 162 O ASN A 31 -6.537 5.535 -3.870 1.00 0.00 O ATOM 163 CB ASN A 31 -5.801 8.703 -3.292 1.00 0.00 C ATOM 164 CG ASN A 31 -4.915 9.585 -2.421 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.262 9.095 -1.500 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.851 10.867 -2.662 1.00 0.00 N ATOM 0 H ASN A 31 -3.790 8.712 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.735 6.910 -2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.079 9.237 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.725 8.467 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.259 11.465 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.393 11.270 -3.426 1.00 0.00 H new ATOM 173 N ILE A 32 -6.198 6.794 -5.704 1.00 0.00 N ATOM 174 CA ILE A 32 -7.088 5.993 -6.544 1.00 0.00 C ATOM 175 C ILE A 32 -6.550 4.573 -6.691 1.00 0.00 C ATOM 176 O ILE A 32 -7.301 3.601 -6.613 1.00 0.00 O ATOM 177 CB ILE A 32 -7.218 6.632 -7.930 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.600 8.112 -7.794 1.00 0.00 C ATOM 179 CG2 ILE A 32 -8.294 5.902 -8.737 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.830 8.277 -6.899 1.00 0.00 C ATOM 0 H ILE A 32 -5.757 7.580 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.067 5.955 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.260 6.554 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.763 8.671 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.803 8.532 -8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.383 6.360 -9.722 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.017 4.854 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.249 5.972 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.082 9.334 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.671 7.736 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.615 7.878 -5.908 1.00 0.00 H new ATOM 192 N ILE A 33 -5.248 4.463 -6.911 1.00 0.00 N ATOM 193 CA ILE A 33 -4.615 3.163 -7.077 1.00 0.00 C ATOM 194 C ILE A 33 -4.757 2.335 -5.801 1.00 0.00 C ATOM 195 O ILE A 33 -5.035 1.136 -5.857 1.00 0.00 O ATOM 196 CB ILE A 33 -3.136 3.347 -7.409 1.00 0.00 C ATOM 197 CG1 ILE A 33 -3.002 4.002 -8.786 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.451 1.981 -7.441 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.553 4.430 -9.001 1.00 0.00 C ATOM 0 H ILE A 33 -4.611 5.256 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.107 2.636 -7.894 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.670 3.978 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.306 3.303 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.663 4.866 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.395 2.109 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.549 1.502 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.920 1.356 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.453 4.897 -9.981 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.266 5.143 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.904 3.556 -8.948 1.00 0.00 H new ATOM 211 N GLY A 34 -4.553 2.974 -4.654 1.00 0.00 N ATOM 212 CA GLY A 34 -4.648 2.274 -3.379 1.00 0.00 C ATOM 213 C GLY A 34 -5.989 1.554 -3.244 1.00 0.00 C ATOM 214 O GLY A 34 -6.034 0.380 -2.880 1.00 0.00 O ATOM 0 H GLY A 34 -4.323 3.965 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.835 1.553 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.530 2.985 -2.561 1.00 0.00 H new ATOM 218 N ILE A 35 -7.075 2.258 -3.543 1.00 0.00 N ATOM 219 CA ILE A 35 -8.405 1.660 -3.451 1.00 0.00 C ATOM 220 C ILE A 35 -8.563 0.536 -4.477 1.00 0.00 C ATOM 221 O ILE A 35 -9.123 -0.518 -4.175 1.00 0.00 O ATOM 222 CB ILE A 35 -9.478 2.724 -3.681 1.00 0.00 C ATOM 223 CG1 ILE A 35 -9.244 3.915 -2.741 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.869 2.128 -3.433 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.183 3.461 -1.278 1.00 0.00 C ATOM 0 H ILE A 35 -7.064 3.231 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.524 1.241 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.419 3.069 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.314 4.416 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.045 4.643 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.627 2.893 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.036 1.297 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.934 1.770 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.016 4.326 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.124 2.983 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.365 2.752 -1.151 1.00 0.00 H new ATOM 237 N LEU A 36 -8.079 0.776 -5.691 1.00 0.00 N ATOM 238 CA LEU A 36 -8.182 -0.218 -6.757 1.00 0.00 C ATOM 239 C LEU A 36 -7.437 -1.495 -6.379 1.00 0.00 C ATOM 240 O LEU A 36 -7.929 -2.600 -6.606 1.00 0.00 O ATOM 241 CB LEU A 36 -7.603 0.352 -8.050 1.00 0.00 C ATOM 242 CG LEU A 36 -8.512 1.465 -8.591 1.00 0.00 C ATOM 243 CD1 LEU A 36 -7.781 2.203 -9.717 1.00 0.00 C ATOM 244 CD2 LEU A 36 -9.839 0.878 -9.123 1.00 0.00 C ATOM 0 H LEU A 36 -7.615 1.643 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.234 -0.461 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.603 0.745 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.503 -0.440 -8.793 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.746 2.158 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.420 2.995 -10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.860 2.637 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.543 1.502 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.468 1.684 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.629 0.174 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.358 0.362 -8.316 1.00 0.00 H new ATOM 256 N HIS A 37 -6.254 -1.340 -5.799 1.00 0.00 N ATOM 257 CA HIS A 37 -5.460 -2.492 -5.394 1.00 0.00 C ATOM 258 C HIS A 37 -6.202 -3.318 -4.354 1.00 0.00 C ATOM 259 O HIS A 37 -6.217 -4.548 -4.420 1.00 0.00 O ATOM 260 CB HIS A 37 -4.129 -2.026 -4.813 1.00 0.00 C ATOM 261 CG HIS A 37 -3.322 -3.224 -4.404 1.00 0.00 C ATOM 262 ND1 HIS A 37 -2.097 -3.514 -4.978 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.549 -4.220 -3.485 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.639 -4.640 -4.408 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.483 -5.113 -3.490 1.00 0.00 N ATOM 0 H HIS A 37 -5.826 -0.436 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.281 -3.111 -6.273 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.582 -1.439 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.301 -1.378 -3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.423 -4.298 -2.855 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.699 -5.107 -4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.371 -5.949 -2.916 1.00 0.00 H new ATOM 273 N LEU A 38 -6.795 -2.641 -3.380 1.00 0.00 N ATOM 274 CA LEU A 38 -7.513 -3.326 -2.317 1.00 0.00 C ATOM 275 C LEU A 38 -8.654 -4.158 -2.889 1.00 0.00 C ATOM 276 O LEU A 38 -8.897 -5.268 -2.431 1.00 0.00 O ATOM 277 CB LEU A 38 -8.046 -2.290 -1.290 1.00 0.00 C ATOM 278 CG LEU A 38 -7.300 -2.425 0.048 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.498 -1.162 0.881 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.843 -3.636 0.818 1.00 0.00 C ATOM 0 H LEU A 38 -6.793 -1.624 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.828 -4.004 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.920 -1.281 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.114 -2.440 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.237 -2.564 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.967 -1.264 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.108 -0.302 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.561 -1.017 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.314 -3.731 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.907 -3.499 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.694 -4.540 0.227 1.00 0.00 H new ATOM 292 N ILE A 39 -9.345 -3.620 -3.877 1.00 0.00 N ATOM 293 CA ILE A 39 -10.454 -4.339 -4.484 1.00 0.00 C ATOM 294 C ILE A 39 -9.959 -5.633 -5.129 1.00 0.00 C ATOM 295 O ILE A 39 -10.582 -6.686 -4.995 1.00 0.00 O ATOM 296 CB ILE A 39 -11.121 -3.454 -5.538 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.805 -2.270 -4.844 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.160 -4.267 -6.316 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.263 -1.251 -5.890 1.00 0.00 C ATOM 0 H ILE A 39 -9.162 -2.698 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.179 -4.591 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.367 -3.084 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.660 -2.620 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.116 -1.800 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.632 -3.632 -7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.670 -5.107 -6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.918 -4.642 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.748 -0.412 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.400 -0.891 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.968 -1.724 -6.574 1.00 0.00 H new ATOM 311 N LEU A 40 -8.843 -5.552 -5.836 1.00 0.00 N ATOM 312 CA LEU A 40 -8.286 -6.730 -6.489 1.00 0.00 C ATOM 313 C LEU A 40 -7.672 -7.685 -5.467 1.00 0.00 C ATOM 314 O LEU A 40 -7.834 -8.901 -5.567 1.00 0.00 O ATOM 315 CB LEU A 40 -7.227 -6.297 -7.502 1.00 0.00 C ATOM 316 CG LEU A 40 -7.890 -5.486 -8.625 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.800 -4.869 -9.503 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.803 -6.387 -9.485 1.00 0.00 C ATOM 0 H LEU A 40 -8.309 -4.694 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.091 -7.257 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.462 -5.697 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.727 -7.172 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.503 -4.701 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.262 -4.291 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.173 -4.214 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.188 -5.661 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.262 -5.792 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.210 -7.186 -9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.582 -6.820 -8.858 1.00 0.00 H new ATOM 330 N TRP A 41 -6.960 -7.129 -4.491 1.00 0.00 N ATOM 331 CA TRP A 41 -6.319 -7.944 -3.466 1.00 0.00 C ATOM 332 C TRP A 41 -7.350 -8.596 -2.549 1.00 0.00 C ATOM 333 O TRP A 41 -7.277 -9.794 -2.269 1.00 0.00 O ATOM 334 CB TRP A 41 -5.349 -7.080 -2.647 1.00 0.00 C ATOM 335 CG TRP A 41 -4.824 -7.867 -1.487 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.783 -8.729 -1.537 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.270 -7.846 -0.102 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.590 -9.267 -0.277 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.477 -8.748 0.641 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.285 -7.146 0.576 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.680 -8.947 2.004 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.485 -7.341 1.951 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.686 -8.240 2.661 1.00 0.00 C ATOM 0 H TRP A 41 -6.813 -6.125 -4.389 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.764 -8.741 -3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.523 -6.748 -3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.858 -6.185 -2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.199 -8.959 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.878 -9.963 -0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.914 -6.455 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.062 -9.645 2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.262 -6.793 2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.847 -8.387 3.719 1.00 0.00 H new ATOM 354 N ILE A 42 -8.304 -7.803 -2.078 1.00 0.00 N ATOM 355 CA ILE A 42 -9.331 -8.320 -1.184 1.00 0.00 C ATOM 356 C ILE A 42 -10.197 -9.343 -1.907 1.00 0.00 C ATOM 357 O ILE A 42 -10.564 -10.372 -1.343 1.00 0.00 O ATOM 358 CB ILE A 42 -10.206 -7.170 -0.663 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.003 -7.638 0.556 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.185 -6.706 -1.752 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.736 -6.443 1.168 1.00 0.00 C ATOM 0 H ILE A 42 -8.388 -6.810 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.843 -8.807 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.556 -6.340 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.718 -8.408 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.335 -8.086 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.798 -5.891 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.625 -6.360 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.828 -7.537 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.306 -6.772 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.011 -5.689 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.415 -6.016 0.430 1.00 0.00 H new ATOM 373 N LEU A 43 -10.519 -9.049 -3.159 1.00 0.00 N ATOM 374 CA LEU A 43 -11.346 -9.949 -3.950 1.00 0.00 C ATOM 375 C LEU A 43 -10.642 -11.285 -4.145 1.00 0.00 C ATOM 376 O LEU A 43 -11.268 -12.343 -4.085 1.00 0.00 O ATOM 377 CB LEU A 43 -11.661 -9.322 -5.314 1.00 0.00 C ATOM 378 CG LEU A 43 -12.520 -10.278 -6.160 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.824 -10.627 -5.418 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.847 -9.607 -7.501 1.00 0.00 C ATOM 0 H LEU A 43 -10.223 -8.202 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.280 -10.118 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.187 -8.378 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.733 -9.095 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.965 -11.200 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.421 -11.304 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.585 -11.109 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.390 -9.715 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.456 -10.279 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.397 -8.683 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.921 -9.381 -8.030 1.00 0.00 H new ATOM 392 N ASP A 44 -9.339 -11.229 -4.384 1.00 0.00 N ATOM 393 CA ASP A 44 -8.559 -12.441 -4.594 1.00 0.00 C ATOM 394 C ASP A 44 -8.601 -13.328 -3.354 1.00 0.00 C ATOM 395 O ASP A 44 -8.585 -14.554 -3.455 1.00 0.00 O ATOM 396 CB ASP A 44 -7.106 -12.077 -4.916 1.00 0.00 C ATOM 397 CG ASP A 44 -7.008 -11.508 -6.329 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.956 -11.669 -7.081 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.983 -10.920 -6.637 1.00 0.00 O ATOM 0 H ASP A 44 -8.802 -10.363 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.991 -12.988 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.738 -11.347 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.473 -12.960 -4.827 1.00 0.00 H new ATOM 404 N ARG A 45 -8.657 -12.700 -2.184 1.00 0.00 N ATOM 405 CA ARG A 45 -8.699 -13.447 -0.933 1.00 0.00 C ATOM 406 C ARG A 45 -9.873 -14.424 -0.938 1.00 0.00 C ATOM 407 O ARG A 45 -9.741 -15.564 -0.494 1.00 0.00 O ATOM 408 CB ARG A 45 -8.844 -12.482 0.248 1.00 0.00 C ATOM 409 CG ARG A 45 -8.791 -13.263 1.563 1.00 0.00 C ATOM 410 CD ARG A 45 -8.908 -12.290 2.737 1.00 0.00 C ATOM 411 NE ARG A 45 -8.853 -13.018 3.998 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.902 -12.381 5.162 1.00 0.00 C ATOM 413 NH1 ARG A 45 -9.012 -11.081 5.190 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.845 -13.057 6.277 1.00 0.00 N ATOM 0 H ARG A 45 -8.674 -11.686 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.769 -14.007 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.047 -11.739 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.787 -11.940 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.601 -13.992 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.857 -13.821 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.101 -11.558 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.844 -11.736 2.668 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.775 -14.035 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.060 -10.554 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.050 -10.592 6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.763 -14.073 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.883 -12.569 7.172 1.00 0.00 H new ATOM 617 N VAL B 27 7.225 11.526 1.005 1.00 0.00 N ATOM 618 CA VAL B 27 5.931 11.461 0.338 1.00 0.00 C ATOM 619 C VAL B 27 6.114 11.154 -1.147 1.00 0.00 C ATOM 620 O VAL B 27 5.419 10.306 -1.705 1.00 0.00 O ATOM 621 CB VAL B 27 5.188 12.792 0.504 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.911 12.782 -0.340 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.816 12.990 1.976 1.00 0.00 C ATOM 0 HA VAL B 27 5.344 10.663 0.793 1.00 0.00 H new ATOM 0 HB VAL B 27 5.835 13.605 0.175 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.387 13.730 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.170 12.642 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.266 11.966 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.288 13.936 2.094 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.173 12.172 2.302 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.722 13.002 2.582 1.00 0.00 H new ATOM 633 N VAL B 28 7.047 11.856 -1.783 1.00 0.00 N ATOM 634 CA VAL B 28 7.298 11.649 -3.204 1.00 0.00 C ATOM 635 C VAL B 28 7.780 10.226 -3.465 1.00 0.00 C ATOM 636 O VAL B 28 7.275 9.544 -4.356 1.00 0.00 O ATOM 637 CB VAL B 28 8.352 12.647 -3.692 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.731 12.335 -5.143 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.790 14.068 -3.605 1.00 0.00 C ATOM 0 H VAL B 28 7.635 12.564 -1.343 1.00 0.00 H new ATOM 0 HA VAL B 28 6.366 11.805 -3.747 1.00 0.00 H new ATOM 0 HB VAL B 28 9.239 12.567 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.481 13.048 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.136 11.325 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.846 12.409 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.541 14.778 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.900 14.146 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.529 14.293 -2.571 1.00 0.00 H new ATOM 649 N ALA B 29 8.756 9.781 -2.680 1.00 0.00 N ATOM 650 CA ALA B 29 9.298 8.436 -2.840 1.00 0.00 C ATOM 651 C ALA B 29 8.228 7.390 -2.574 1.00 0.00 C ATOM 652 O ALA B 29 8.180 6.352 -3.233 1.00 0.00 O ATOM 653 CB ALA B 29 10.471 8.221 -1.877 1.00 0.00 C ATOM 0 H ALA B 29 9.185 10.327 -1.933 1.00 0.00 H new ATOM 0 HA ALA B 29 9.647 8.331 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.867 7.214 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.254 8.949 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA B 29 10.127 8.347 -0.850 1.00 0.00 H new ATOM 659 N ALA B 30 7.370 7.668 -1.601 1.00 0.00 N ATOM 660 CA ALA B 30 6.309 6.738 -1.259 1.00 0.00 C ATOM 661 C ALA B 30 5.438 6.472 -2.477 1.00 0.00 C ATOM 662 O ALA B 30 4.996 5.346 -2.706 1.00 0.00 O ATOM 663 CB ALA B 30 5.453 7.316 -0.132 1.00 0.00 C ATOM 0 H ALA B 30 7.389 8.521 -1.042 1.00 0.00 H new ATOM 0 HA ALA B 30 6.755 5.801 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.659 6.613 0.119 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.076 7.489 0.746 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.013 8.259 -0.456 1.00 0.00 H new ATOM 669 N ASN B 31 5.197 7.515 -3.262 1.00 0.00 N ATOM 670 CA ASN B 31 4.378 7.372 -4.458 1.00 0.00 C ATOM 671 C ASN B 31 5.056 6.444 -5.462 1.00 0.00 C ATOM 672 O ASN B 31 4.410 5.593 -6.068 1.00 0.00 O ATOM 673 CB ASN B 31 4.164 8.742 -5.101 1.00 0.00 C ATOM 674 CG ASN B 31 3.364 9.639 -4.163 1.00 0.00 C ATOM 675 OD1 ASN B 31 2.386 9.196 -3.561 1.00 0.00 O ATOM 676 ND2 ASN B 31 3.732 10.880 -3.993 1.00 0.00 N ATOM 0 H ASN B 31 5.552 8.457 -3.095 1.00 0.00 H new ATOM 0 HA ASN B 31 3.417 6.944 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN B 31 5.126 9.202 -5.325 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.636 8.630 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN B 31 3.209 11.485 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN B 31 4.543 11.245 -4.493 1.00 0.00 H new ATOM 683 N ILE B 32 6.364 6.621 -5.637 1.00 0.00 N ATOM 684 CA ILE B 32 7.121 5.804 -6.586 1.00 0.00 C ATOM 685 C ILE B 32 7.116 4.341 -6.151 1.00 0.00 C ATOM 686 O ILE B 32 6.940 3.442 -6.971 1.00 0.00 O ATOM 687 CB ILE B 32 8.567 6.303 -6.669 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.588 7.813 -6.942 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.299 5.577 -7.800 1.00 0.00 C ATOM 690 CD1 ILE B 32 7.720 8.161 -8.151 1.00 0.00 C ATOM 0 H ILE B 32 6.919 7.317 -5.139 1.00 0.00 H new ATOM 0 HA ILE B 32 6.650 5.887 -7.565 1.00 0.00 H new ATOM 0 HB ILE B 32 9.064 6.101 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE B 32 8.228 8.350 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE B 32 9.613 8.140 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.327 5.934 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.298 4.505 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.794 5.774 -8.746 1.00 0.00 H new ATOM 0 HD11 ILE B 32 7.751 9.237 -8.324 1.00 0.00 H new ATOM 0 HD12 ILE B 32 8.097 7.641 -9.031 1.00 0.00 H new ATOM 0 HD13 ILE B 32 6.692 7.854 -7.961 1.00 0.00 H new ATOM 702 N ILE B 33 7.315 4.114 -4.859 1.00 0.00 N ATOM 703 CA ILE B 33 7.338 2.762 -4.322 1.00 0.00 C ATOM 704 C ILE B 33 5.986 2.085 -4.525 1.00 0.00 C ATOM 705 O ILE B 33 5.919 0.910 -4.890 1.00 0.00 O ATOM 706 CB ILE B 33 7.676 2.805 -2.831 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.112 3.298 -2.649 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.554 1.399 -2.247 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.359 3.602 -1.171 1.00 0.00 C ATOM 0 H ILE B 33 7.462 4.848 -4.166 1.00 0.00 H new ATOM 0 HA ILE B 33 8.099 2.188 -4.850 1.00 0.00 H new ATOM 0 HB ILE B 33 6.988 3.480 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.815 2.542 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.280 4.192 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.794 1.424 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.535 1.037 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.246 0.731 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.382 3.954 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.664 4.372 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.207 2.697 -0.583 1.00 0.00 H new ATOM 721 N GLY B 34 4.909 2.823 -4.276 1.00 0.00 N ATOM 722 CA GLY B 34 3.568 2.269 -4.424 1.00 0.00 C ATOM 723 C GLY B 34 3.371 1.667 -5.815 1.00 0.00 C ATOM 724 O GLY B 34 2.887 0.543 -5.945 1.00 0.00 O ATOM 0 H GLY B 34 4.937 3.797 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.402 1.503 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.828 3.051 -4.255 1.00 0.00 H new ATOM 728 N ILE B 35 3.749 2.413 -6.847 1.00 0.00 N ATOM 729 CA ILE B 35 3.605 1.927 -8.218 1.00 0.00 C ATOM 730 C ILE B 35 4.512 0.719 -8.457 1.00 0.00 C ATOM 731 O ILE B 35 4.108 -0.255 -9.093 1.00 0.00 O ATOM 732 CB ILE B 35 3.953 3.038 -9.210 1.00 0.00 C ATOM 733 CG1 ILE B 35 3.137 4.299 -8.886 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.656 2.573 -10.639 1.00 0.00 C ATOM 735 CD1 ILE B 35 1.633 3.995 -8.870 1.00 0.00 C ATOM 0 H ILE B 35 4.153 3.346 -6.765 1.00 0.00 H new ATOM 0 HA ILE B 35 2.569 1.624 -8.368 1.00 0.00 H new ATOM 0 HB ILE B 35 5.015 3.271 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE B 35 3.442 4.694 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.347 5.072 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.906 3.369 -11.340 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.253 1.689 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.598 2.329 -10.730 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.080 4.905 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE B 35 1.326 3.623 -9.848 1.00 0.00 H new ATOM 0 HD13 ILE B 35 1.422 3.240 -8.113 1.00 0.00 H new ATOM 747 N LEU B 36 5.741 0.798 -7.957 1.00 0.00 N ATOM 748 CA LEU B 36 6.698 -0.291 -8.135 1.00 0.00 C ATOM 749 C LEU B 36 6.186 -1.575 -7.485 1.00 0.00 C ATOM 750 O LEU B 36 6.301 -2.659 -8.056 1.00 0.00 O ATOM 751 CB LEU B 36 8.040 0.099 -7.513 1.00 0.00 C ATOM 752 CG LEU B 36 8.699 1.213 -8.339 1.00 0.00 C ATOM 753 CD1 LEU B 36 9.887 1.780 -7.556 1.00 0.00 C ATOM 754 CD2 LEU B 36 9.179 0.671 -9.704 1.00 0.00 C ATOM 0 H LEU B 36 6.096 1.596 -7.430 1.00 0.00 H new ATOM 0 HA LEU B 36 6.825 -0.470 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU B 36 7.890 0.436 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU B 36 8.696 -0.770 -7.470 1.00 0.00 H new ATOM 0 HG LEU B 36 7.967 1.999 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU B 36 10.361 2.572 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU B 36 9.537 2.185 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU B 36 10.610 0.987 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU B 36 9.643 1.477 -10.273 1.00 0.00 H new ATOM 0 HD22 LEU B 36 9.906 -0.125 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU B 36 8.327 0.278 -10.259 1.00 0.00 H new ATOM 766 N HIS B 37 5.615 -1.447 -6.293 1.00 0.00 N ATOM 767 CA HIS B 37 5.088 -2.606 -5.586 1.00 0.00 C ATOM 768 C HIS B 37 3.973 -3.265 -6.386 1.00 0.00 C ATOM 769 O HIS B 37 3.915 -4.490 -6.495 1.00 0.00 O ATOM 770 CB HIS B 37 4.545 -2.181 -4.225 1.00 0.00 C ATOM 771 CG HIS B 37 4.008 -3.387 -3.508 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.542 -3.827 -2.312 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.993 -4.263 -3.809 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.858 -4.921 -1.939 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.901 -5.230 -2.814 1.00 0.00 N ATOM 0 H HIS B 37 5.506 -0.561 -5.800 1.00 0.00 H new ATOM 0 HA HIS B 37 5.899 -3.322 -5.453 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.334 -1.714 -3.635 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.758 -1.437 -4.350 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.363 -4.209 -4.685 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.059 -5.483 -1.039 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.243 -6.008 -2.764 1.00 0.00 H new ATOM 783 N LEU B 38 3.079 -2.449 -6.928 1.00 0.00 N ATOM 784 CA LEU B 38 1.955 -2.966 -7.696 1.00 0.00 C ATOM 785 C LEU B 38 2.448 -3.767 -8.894 1.00 0.00 C ATOM 786 O LEU B 38 1.882 -4.802 -9.217 1.00 0.00 O ATOM 787 CB LEU B 38 1.048 -1.792 -8.149 1.00 0.00 C ATOM 788 CG LEU B 38 -0.305 -1.841 -7.414 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.998 -0.487 -7.517 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.192 -2.921 -8.047 1.00 0.00 C ATOM 0 H LEU B 38 3.110 -1.432 -6.851 1.00 0.00 H new ATOM 0 HA LEU B 38 1.371 -3.636 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.544 -0.843 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.886 -1.844 -9.226 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.136 -2.078 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.954 -0.527 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.369 0.279 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.167 -0.243 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.149 -2.956 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.358 -2.685 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.699 -3.890 -7.966 1.00 0.00 H new ATOM 802 N ILE B 39 3.494 -3.284 -9.545 1.00 0.00 N ATOM 803 CA ILE B 39 4.029 -3.980 -10.702 1.00 0.00 C ATOM 804 C ILE B 39 4.534 -5.366 -10.303 1.00 0.00 C ATOM 805 O ILE B 39 4.296 -6.352 -10.998 1.00 0.00 O ATOM 806 CB ILE B 39 5.175 -3.162 -11.303 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.610 -1.867 -11.900 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.874 -3.973 -12.396 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.758 -0.928 -12.281 1.00 0.00 C ATOM 0 H ILE B 39 3.983 -2.424 -9.296 1.00 0.00 H new ATOM 0 HA ILE B 39 3.238 -4.099 -11.442 1.00 0.00 H new ATOM 0 HB ILE B 39 5.898 -2.921 -10.524 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.007 -2.094 -12.779 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.953 -1.380 -11.179 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.689 -3.386 -12.820 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.274 -4.892 -11.968 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.158 -4.220 -13.180 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.352 -0.010 -12.705 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.343 -0.690 -11.393 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.397 -1.415 -13.017 1.00 0.00 H new ATOM 821 N LEU B 40 5.238 -5.439 -9.184 1.00 0.00 N ATOM 822 CA LEU B 40 5.764 -6.713 -8.713 1.00 0.00 C ATOM 823 C LEU B 40 4.644 -7.601 -8.172 1.00 0.00 C ATOM 824 O LEU B 40 4.623 -8.806 -8.422 1.00 0.00 O ATOM 825 CB LEU B 40 6.806 -6.463 -7.626 1.00 0.00 C ATOM 826 CG LEU B 40 8.013 -5.728 -8.227 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.944 -5.288 -7.095 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.778 -6.642 -9.209 1.00 0.00 C ATOM 0 H LEU B 40 5.457 -4.640 -8.589 1.00 0.00 H new ATOM 0 HA LEU B 40 6.229 -7.230 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.371 -5.871 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.125 -7.409 -7.189 1.00 0.00 H new ATOM 0 HG LEU B 40 7.659 -4.857 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.804 -4.765 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.407 -4.621 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.285 -6.164 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.629 -6.100 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.133 -7.527 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.113 -6.945 -10.018 1.00 0.00 H new ATOM 840 N TRP B 41 3.724 -7.000 -7.422 1.00 0.00 N ATOM 841 CA TRP B 41 2.616 -7.751 -6.841 1.00 0.00 C ATOM 842 C TRP B 41 1.644 -8.227 -7.918 1.00 0.00 C ATOM 843 O TRP B 41 1.240 -9.392 -7.934 1.00 0.00 O ATOM 844 CB TRP B 41 1.886 -6.882 -5.810 1.00 0.00 C ATOM 845 CG TRP B 41 0.646 -7.579 -5.344 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.597 -8.517 -4.369 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.727 -7.383 -5.788 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.712 -8.932 -4.215 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.563 -8.257 -5.061 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.320 -6.545 -6.748 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.940 -8.297 -5.277 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.706 -6.578 -6.961 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.511 -7.455 -6.229 1.00 0.00 C ATOM 0 H TRP B 41 3.723 -6.004 -7.204 1.00 0.00 H new ATOM 0 HA TRP B 41 3.021 -8.634 -6.347 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.541 -6.680 -4.962 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.629 -5.919 -6.250 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.442 -8.881 -3.804 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -1.011 -9.650 -3.555 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.704 -5.871 -7.325 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.560 -8.976 -4.710 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.153 -5.923 -7.694 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.577 -7.480 -6.401 1.00 0.00 H new ATOM 864 N ILE B 42 1.264 -7.322 -8.811 1.00 0.00 N ATOM 865 CA ILE B 42 0.329 -7.666 -9.873 1.00 0.00 C ATOM 866 C ILE B 42 0.948 -8.693 -10.810 1.00 0.00 C ATOM 867 O ILE B 42 0.282 -9.627 -11.253 1.00 0.00 O ATOM 868 CB ILE B 42 -0.066 -6.406 -10.660 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.322 -6.686 -11.485 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.070 -5.988 -11.603 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.803 -5.383 -12.127 1.00 0.00 C ATOM 0 H ILE B 42 1.585 -6.354 -8.821 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.566 -8.096 -9.423 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.260 -5.600 -9.952 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.108 -7.427 -12.255 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.104 -7.103 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.776 -5.094 -12.154 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.967 -5.777 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.275 -6.796 -12.306 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.699 -5.577 -12.717 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.032 -4.656 -11.348 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.021 -4.986 -12.775 1.00 0.00 H new ATOM 883 N LEU B 43 2.224 -8.508 -11.113 1.00 0.00 N ATOM 884 CA LEU B 43 2.924 -9.423 -12.004 1.00 0.00 C ATOM 885 C LEU B 43 2.974 -10.820 -11.400 1.00 0.00 C ATOM 886 O LEU B 43 2.808 -11.817 -12.103 1.00 0.00 O ATOM 887 CB LEU B 43 4.349 -8.920 -12.271 1.00 0.00 C ATOM 888 CG LEU B 43 5.096 -9.894 -13.200 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.330 -10.066 -14.524 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.502 -9.344 -13.477 1.00 0.00 C ATOM 0 H LEU B 43 2.793 -7.739 -10.759 1.00 0.00 H new ATOM 0 HA LEU B 43 2.380 -9.467 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.313 -7.930 -12.725 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.889 -8.819 -11.329 1.00 0.00 H new ATOM 0 HG LEU B 43 5.170 -10.868 -12.716 1.00 0.00 H new ATOM 0 HD11 LEU B 43 4.871 -10.758 -15.170 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.335 -10.462 -14.320 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.241 -9.100 -15.021 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.038 -10.029 -14.135 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.423 -8.368 -13.956 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.045 -9.244 -12.537 1.00 0.00 H new ATOM 902 N ASP B 44 3.211 -10.885 -10.097 1.00 0.00 N ATOM 903 CA ASP B 44 3.290 -12.166 -9.406 1.00 0.00 C ATOM 904 C ASP B 44 1.966 -12.913 -9.515 1.00 0.00 C ATOM 905 O ASP B 44 1.941 -14.142 -9.589 1.00 0.00 O ATOM 906 CB ASP B 44 3.637 -11.945 -7.934 1.00 0.00 C ATOM 907 CG ASP B 44 5.099 -11.527 -7.793 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.836 -11.688 -8.754 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.459 -11.055 -6.728 1.00 0.00 O ATOM 0 H ASP B 44 3.351 -10.071 -9.499 1.00 0.00 H new ATOM 0 HA ASP B 44 4.071 -12.765 -9.875 1.00 0.00 H new ATOM 0 HB2 ASP B 44 2.989 -11.177 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.457 -12.860 -7.369 1.00 0.00 H new ATOM 914 N ARG B 45 0.869 -12.166 -9.524 1.00 0.00 N ATOM 915 CA ARG B 45 -0.454 -12.773 -9.620 1.00 0.00 C ATOM 916 C ARG B 45 -0.542 -13.657 -10.861 1.00 0.00 C ATOM 917 O ARG B 45 -1.100 -14.755 -10.813 1.00 0.00 O ATOM 918 CB ARG B 45 -1.526 -11.685 -9.694 1.00 0.00 C ATOM 919 CG ARG B 45 -2.917 -12.325 -9.697 1.00 0.00 C ATOM 920 CD ARG B 45 -3.981 -11.230 -9.746 1.00 0.00 C ATOM 921 NE ARG B 45 -5.312 -11.825 -9.740 1.00 0.00 N ATOM 922 CZ ARG B 45 -6.403 -11.069 -9.743 1.00 0.00 C ATOM 923 NH1 ARG B 45 -6.295 -9.770 -9.761 1.00 0.00 N ATOM 924 NH2 ARG B 45 -7.584 -11.627 -9.730 1.00 0.00 N ATOM 0 H ARG B 45 0.867 -11.148 -9.467 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.619 -13.384 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.429 -11.008 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.389 -11.088 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -3.022 -12.988 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.050 -12.936 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.868 -10.564 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.849 -10.624 -10.642 1.00 0.00 H new ATOM 0 HE ARG B 45 -5.407 -12.841 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -5.372 -9.335 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -7.133 -9.189 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -7.668 -12.643 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -8.423 -11.046 -9.732 1.00 0.00 H new ATOM 1127 N VAL C 27 0.152 10.840 8.466 1.00 0.00 N ATOM 1128 CA VAL C 27 0.792 10.824 7.160 1.00 0.00 C ATOM 1129 C VAL C 27 2.244 10.365 7.281 1.00 0.00 C ATOM 1130 O VAL C 27 2.709 9.530 6.504 1.00 0.00 O ATOM 1131 CB VAL C 27 0.745 12.224 6.538 1.00 0.00 C ATOM 1132 CG1 VAL C 27 1.555 12.241 5.239 1.00 0.00 C ATOM 1133 CG2 VAL C 27 -0.707 12.599 6.236 1.00 0.00 C ATOM 0 HA VAL C 27 0.254 10.125 6.520 1.00 0.00 H new ATOM 0 HB VAL C 27 1.171 12.943 7.238 1.00 0.00 H new ATOM 0 HG11 VAL C 27 1.519 13.238 4.801 1.00 0.00 H new ATOM 0 HG12 VAL C 27 2.591 11.976 5.452 1.00 0.00 H new ATOM 0 HG13 VAL C 27 1.133 11.521 4.538 1.00 0.00 H new ATOM 0 HG21 VAL C 27 -0.741 13.595 5.794 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -1.132 11.877 5.538 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -1.284 12.593 7.161 1.00 0.00 H new ATOM 1143 N VAL C 28 2.956 10.918 8.256 1.00 0.00 N ATOM 1144 CA VAL C 28 4.355 10.558 8.456 1.00 0.00 C ATOM 1145 C VAL C 28 4.485 9.079 8.809 1.00 0.00 C ATOM 1146 O VAL C 28 5.299 8.363 8.225 1.00 0.00 O ATOM 1147 CB VAL C 28 4.951 11.407 9.583 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.370 10.929 9.900 1.00 0.00 C ATOM 1149 CG2 VAL C 28 4.992 12.875 9.147 1.00 0.00 C ATOM 0 H VAL C 28 2.594 11.609 8.913 1.00 0.00 H new ATOM 0 HA VAL C 28 4.897 10.746 7.529 1.00 0.00 H new ATOM 0 HB VAL C 28 4.332 11.307 10.474 1.00 0.00 H new ATOM 0 HG11 VAL C 28 6.788 11.537 10.702 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.341 9.885 10.213 1.00 0.00 H new ATOM 0 HG13 VAL C 28 6.993 11.024 9.011 1.00 0.00 H new ATOM 0 HG21 VAL C 28 5.416 13.481 9.948 1.00 0.00 H new ATOM 0 HG22 VAL C 28 5.609 12.972 8.253 1.00 0.00 H new ATOM 0 HG23 VAL C 28 3.981 13.218 8.929 1.00 0.00 H new ATOM 1159 N ALA C 29 3.675 8.627 9.760 1.00 0.00 N ATOM 1160 CA ALA C 29 3.714 7.231 10.181 1.00 0.00 C ATOM 1161 C ALA C 29 3.331 6.313 9.031 1.00 0.00 C ATOM 1162 O ALA C 29 3.883 5.223 8.883 1.00 0.00 O ATOM 1163 CB ALA C 29 2.753 7.008 11.352 1.00 0.00 C ATOM 0 H ALA C 29 2.989 9.201 10.250 1.00 0.00 H new ATOM 0 HA ALA C 29 4.731 6.998 10.496 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.790 5.963 11.659 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.046 7.642 12.189 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.739 7.260 11.043 1.00 0.00 H new ATOM 1169 N ALA C 30 2.381 6.758 8.221 1.00 0.00 N ATOM 1170 CA ALA C 30 1.937 5.960 7.092 1.00 0.00 C ATOM 1171 C ALA C 30 3.110 5.652 6.177 1.00 0.00 C ATOM 1172 O ALA C 30 3.221 4.550 5.640 1.00 0.00 O ATOM 1173 CB ALA C 30 0.860 6.717 6.311 1.00 0.00 C ATOM 0 H ALA C 30 1.909 7.656 8.324 1.00 0.00 H new ATOM 0 HA ALA C 30 1.521 5.024 7.465 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.531 6.113 5.465 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.011 6.919 6.964 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.269 7.659 5.946 1.00 0.00 H new ATOM 1179 N ASN C 31 3.988 6.632 5.999 1.00 0.00 N ATOM 1180 CA ASN C 31 5.150 6.446 5.144 1.00 0.00 C ATOM 1181 C ASN C 31 6.071 5.373 5.723 1.00 0.00 C ATOM 1182 O ASN C 31 6.583 4.526 4.994 1.00 0.00 O ATOM 1183 CB ASN C 31 5.920 7.761 5.029 1.00 0.00 C ATOM 1184 CG ASN C 31 5.048 8.817 4.360 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.361 8.528 3.380 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.028 10.029 4.844 1.00 0.00 N ATOM 0 H ASN C 31 3.918 7.553 6.431 1.00 0.00 H new ATOM 0 HA ASN C 31 4.810 6.130 4.158 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.224 8.102 6.019 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.831 7.609 4.450 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.441 10.742 4.410 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.599 10.263 5.656 1.00 0.00 H new ATOM 1193 N ILE C 32 6.281 5.425 7.037 1.00 0.00 N ATOM 1194 CA ILE C 32 7.153 4.458 7.702 1.00 0.00 C ATOM 1195 C ILE C 32 6.582 3.048 7.581 1.00 0.00 C ATOM 1196 O ILE C 32 7.310 2.093 7.311 1.00 0.00 O ATOM 1197 CB ILE C 32 7.305 4.820 9.183 1.00 0.00 C ATOM 1198 CG1 ILE C 32 7.721 6.290 9.325 1.00 0.00 C ATOM 1199 CG2 ILE C 32 8.372 3.928 9.828 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.947 6.596 8.465 1.00 0.00 C ATOM 0 H ILE C 32 5.864 6.119 7.657 1.00 0.00 H new ATOM 0 HA ILE C 32 8.129 4.487 7.218 1.00 0.00 H new ATOM 0 HB ILE C 32 6.349 4.666 9.683 1.00 0.00 H new ATOM 0 HG12 ILE C 32 6.894 6.936 9.030 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.940 6.511 10.370 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.477 4.189 10.881 1.00 0.00 H new ATOM 0 HG22 ILE C 32 8.074 2.883 9.741 1.00 0.00 H new ATOM 0 HG23 ILE C 32 9.325 4.077 9.321 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.222 7.644 8.583 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.778 5.965 8.779 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.716 6.397 7.418 1.00 0.00 H new ATOM 1212 N ILE C 33 5.278 2.928 7.788 1.00 0.00 N ATOM 1213 CA ILE C 33 4.615 1.635 7.706 1.00 0.00 C ATOM 1214 C ILE C 33 4.730 1.062 6.295 1.00 0.00 C ATOM 1215 O ILE C 33 4.979 -0.130 6.120 1.00 0.00 O ATOM 1216 CB ILE C 33 3.142 1.791 8.082 1.00 0.00 C ATOM 1217 CG1 ILE C 33 3.033 2.170 9.557 1.00 0.00 C ATOM 1218 CG2 ILE C 33 2.421 0.464 7.855 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.594 2.586 9.864 1.00 0.00 C ATOM 0 H ILE C 33 4.660 3.708 8.013 1.00 0.00 H new ATOM 0 HA ILE C 33 5.099 0.948 8.400 1.00 0.00 H new ATOM 0 HB ILE C 33 2.690 2.569 7.467 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.322 1.326 10.184 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.717 2.987 9.786 1.00 0.00 H new ATOM 0 HG21 ILE C 33 1.370 0.571 8.122 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.502 0.181 6.806 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.876 -0.308 8.475 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.510 2.858 10.916 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.323 3.442 9.246 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.921 1.756 9.649 1.00 0.00 H new ATOM 1231 N GLY C 34 4.536 1.913 5.293 1.00 0.00 N ATOM 1232 CA GLY C 34 4.610 1.465 3.906 1.00 0.00 C ATOM 1233 C GLY C 34 5.930 0.754 3.626 1.00 0.00 C ATOM 1234 O GLY C 34 5.946 -0.330 3.042 1.00 0.00 O ATOM 0 H GLY C 34 4.329 2.905 5.412 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.779 0.792 3.694 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.506 2.321 3.239 1.00 0.00 H new ATOM 1238 N ILE C 35 7.036 1.360 4.046 1.00 0.00 N ATOM 1239 CA ILE C 35 8.351 0.761 3.831 1.00 0.00 C ATOM 1240 C ILE C 35 8.485 -0.539 4.625 1.00 0.00 C ATOM 1241 O ILE C 35 9.017 -1.531 4.125 1.00 0.00 O ATOM 1242 CB ILE C 35 9.450 1.737 4.247 1.00 0.00 C ATOM 1243 CG1 ILE C 35 9.241 3.088 3.544 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.824 1.163 3.884 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.179 2.917 2.018 1.00 0.00 C ATOM 0 H ILE C 35 7.050 2.256 4.532 1.00 0.00 H new ATOM 0 HA ILE C 35 8.456 0.536 2.770 1.00 0.00 H new ATOM 0 HB ILE C 35 9.404 1.887 5.326 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.318 3.547 3.899 1.00 0.00 H new ATOM 0 HG13 ILE C 35 10.054 3.766 3.804 1.00 0.00 H new ATOM 0 HG21 ILE C 35 11.602 1.865 4.184 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.971 0.215 4.402 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.877 1.000 2.808 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.031 3.890 1.549 1.00 0.00 H new ATOM 0 HD12 ILE C 35 10.113 2.481 1.662 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.350 2.259 1.759 1.00 0.00 H new ATOM 1257 N LEU C 36 8.012 -0.524 5.867 1.00 0.00 N ATOM 1258 CA LEU C 36 8.097 -1.704 6.723 1.00 0.00 C ATOM 1259 C LEU C 36 7.319 -2.870 6.117 1.00 0.00 C ATOM 1260 O LEU C 36 7.784 -4.009 6.125 1.00 0.00 O ATOM 1261 CB LEU C 36 7.533 -1.376 8.107 1.00 0.00 C ATOM 1262 CG LEU C 36 8.473 -0.408 8.842 1.00 0.00 C ATOM 1263 CD1 LEU C 36 7.764 0.118 10.094 1.00 0.00 C ATOM 1264 CD2 LEU C 36 9.786 -1.117 9.240 1.00 0.00 C ATOM 0 H LEU C 36 7.569 0.285 6.302 1.00 0.00 H new ATOM 0 HA LEU C 36 9.144 -1.994 6.811 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.543 -0.930 8.009 1.00 0.00 H new ATOM 0 HB3 LEU C 36 7.415 -2.291 8.687 1.00 0.00 H new ATOM 0 HG LEU C 36 8.722 0.421 8.179 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.423 0.806 10.623 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.852 0.640 9.804 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.512 -0.717 10.747 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.437 -0.413 9.759 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.561 -1.956 9.898 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.288 -1.482 8.344 1.00 0.00 H new ATOM 1276 N HIS C 37 6.138 -2.579 5.585 1.00 0.00 N ATOM 1277 CA HIS C 37 5.317 -3.614 4.972 1.00 0.00 C ATOM 1278 C HIS C 37 6.035 -4.244 3.789 1.00 0.00 C ATOM 1279 O HIS C 37 6.024 -5.465 3.623 1.00 0.00 O ATOM 1280 CB HIS C 37 3.996 -3.013 4.498 1.00 0.00 C ATOM 1281 CG HIS C 37 3.157 -4.092 3.872 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.927 -4.455 4.387 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.361 -4.906 2.783 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.441 -5.443 3.617 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.274 -5.756 2.624 1.00 0.00 N ATOM 0 H HIS C 37 5.731 -1.644 5.566 1.00 0.00 H new ATOM 0 HA HIS C 37 5.126 -4.385 5.718 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.465 -2.564 5.338 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.183 -2.217 3.777 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.234 -4.887 2.148 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.489 -5.926 3.783 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.142 -6.466 1.904 1.00 0.00 H new ATOM 1293 N LEU C 38 6.639 -3.407 2.958 1.00 0.00 N ATOM 1294 CA LEU C 38 7.338 -3.894 1.778 1.00 0.00 C ATOM 1295 C LEU C 38 8.458 -4.847 2.174 1.00 0.00 C ATOM 1296 O LEU C 38 8.673 -5.856 1.514 1.00 0.00 O ATOM 1297 CB LEU C 38 7.893 -2.694 0.964 1.00 0.00 C ATOM 1298 CG LEU C 38 7.141 -2.555 -0.372 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.370 -1.163 -0.957 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.655 -3.612 -1.361 1.00 0.00 C ATOM 0 H LEU C 38 6.659 -2.394 3.078 1.00 0.00 H new ATOM 0 HA LEU C 38 6.637 -4.446 1.152 1.00 0.00 H new ATOM 0 HB2 LEU C 38 7.791 -1.776 1.543 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.957 -2.836 0.776 1.00 0.00 H new ATOM 0 HG LEU C 38 6.075 -2.701 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.835 -1.073 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.003 -0.410 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.436 -1.011 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU C 38 7.123 -3.514 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.722 -3.466 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU C 38 7.485 -4.607 -0.951 1.00 0.00 H new ATOM 1312 N ILE C 39 9.165 -4.522 3.243 1.00 0.00 N ATOM 1313 CA ILE C 39 10.258 -5.372 3.694 1.00 0.00 C ATOM 1314 C ILE C 39 9.733 -6.753 4.085 1.00 0.00 C ATOM 1315 O ILE C 39 10.329 -7.774 3.749 1.00 0.00 O ATOM 1316 CB ILE C 39 10.948 -4.719 4.893 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.661 -3.442 4.431 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.969 -5.689 5.494 1.00 0.00 C ATOM 1319 CD1 ILE C 39 12.147 -2.650 5.648 1.00 0.00 C ATOM 0 H ILE C 39 9.007 -3.688 3.809 1.00 0.00 H new ATOM 0 HA ILE C 39 10.974 -5.491 2.881 1.00 0.00 H new ATOM 0 HB ILE C 39 10.204 -4.470 5.650 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.506 -3.697 3.791 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.983 -2.831 3.835 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.458 -5.220 6.348 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.461 -6.596 5.821 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.716 -5.943 4.742 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.653 -1.744 5.314 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.294 -2.381 6.271 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.841 -3.261 6.226 1.00 0.00 H new ATOM 1331 N LEU C 40 8.621 -6.780 4.803 1.00 0.00 N ATOM 1332 CA LEU C 40 8.038 -8.046 5.227 1.00 0.00 C ATOM 1333 C LEU C 40 7.396 -8.775 4.047 1.00 0.00 C ATOM 1334 O LEU C 40 7.527 -9.993 3.915 1.00 0.00 O ATOM 1335 CB LEU C 40 6.994 -7.788 6.311 1.00 0.00 C ATOM 1336 CG LEU C 40 7.680 -7.219 7.563 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.608 -6.760 8.552 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.582 -8.283 8.225 1.00 0.00 C ATOM 0 H LEU C 40 8.108 -5.951 5.102 1.00 0.00 H new ATOM 0 HA LEU C 40 8.831 -8.679 5.625 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.242 -7.088 5.946 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.475 -8.714 6.558 1.00 0.00 H new ATOM 0 HG LEU C 40 8.306 -6.375 7.273 1.00 0.00 H new ATOM 0 HD11 LEU C 40 7.086 -6.355 9.444 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.991 -5.990 8.089 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.982 -7.608 8.829 1.00 0.00 H new ATOM 0 HD21 LEU C 40 9.057 -7.858 9.109 1.00 0.00 H new ATOM 0 HD22 LEU C 40 7.978 -9.142 8.516 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.349 -8.601 7.518 1.00 0.00 H new ATOM 1350 N TRP C 41 6.694 -8.028 3.200 1.00 0.00 N ATOM 1351 CA TRP C 41 6.028 -8.618 2.046 1.00 0.00 C ATOM 1352 C TRP C 41 7.042 -9.109 1.012 1.00 0.00 C ATOM 1353 O TRP C 41 6.937 -10.230 0.510 1.00 0.00 O ATOM 1354 CB TRP C 41 5.079 -7.591 1.413 1.00 0.00 C ATOM 1355 CG TRP C 41 4.529 -8.129 0.129 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.467 -8.960 0.021 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.973 -7.857 -1.230 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.257 -9.245 -1.314 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.155 -8.582 -2.125 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.002 -7.066 -1.769 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.351 -8.523 -3.501 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.197 -7.001 -3.157 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.373 -7.730 -4.020 1.00 0.00 C ATOM 0 H TRP C 41 6.573 -7.019 3.291 1.00 0.00 H new ATOM 0 HA TRP C 41 5.454 -9.480 2.386 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.264 -7.363 2.101 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.610 -6.657 1.228 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.879 -9.339 0.844 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.527 -9.869 -1.658 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.647 -6.504 -1.110 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.714 -9.089 -4.164 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 6.987 -6.385 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.528 -7.679 -5.088 1.00 0.00 H new ATOM 1374 N ILE C 42 8.014 -8.265 0.692 1.00 0.00 N ATOM 1375 CA ILE C 42 9.025 -8.626 -0.291 1.00 0.00 C ATOM 1376 C ILE C 42 9.868 -9.789 0.218 1.00 0.00 C ATOM 1377 O ILE C 42 10.210 -10.699 -0.534 1.00 0.00 O ATOM 1378 CB ILE C 42 9.925 -7.419 -0.593 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.705 -7.667 -1.885 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.920 -7.191 0.555 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.465 -6.396 -2.268 1.00 0.00 C ATOM 0 H ILE C 42 8.123 -7.334 1.095 1.00 0.00 H new ATOM 0 HA ILE C 42 8.523 -8.932 -1.209 1.00 0.00 H new ATOM 0 HB ILE C 42 9.294 -6.537 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.402 -8.494 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.023 -7.952 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.550 -6.332 0.325 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.373 -7.003 1.479 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.544 -8.076 0.677 1.00 0.00 H new ATOM 0 HD11 ILE C 42 12.022 -6.569 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.758 -5.581 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.157 -6.131 -1.469 1.00 0.00 H new ATOM 1393 N LEU C 43 10.203 -9.745 1.499 1.00 0.00 N ATOM 1394 CA LEU C 43 11.012 -10.798 2.098 1.00 0.00 C ATOM 1395 C LEU C 43 10.278 -12.130 2.041 1.00 0.00 C ATOM 1396 O LEU C 43 10.879 -13.171 1.777 1.00 0.00 O ATOM 1397 CB LEU C 43 11.346 -10.450 3.555 1.00 0.00 C ATOM 1398 CG LEU C 43 12.189 -11.567 4.195 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.481 -11.795 3.389 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.537 -11.171 5.636 1.00 0.00 C ATOM 0 H LEU C 43 9.931 -8.999 2.139 1.00 0.00 H new ATOM 0 HA LEU C 43 11.940 -10.882 1.532 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.891 -9.507 3.594 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.426 -10.310 4.122 1.00 0.00 H new ATOM 0 HG LEU C 43 11.615 -12.493 4.195 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.066 -12.588 3.855 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.227 -12.083 2.369 1.00 0.00 H new ATOM 0 HD13 LEU C 43 14.066 -10.875 3.372 1.00 0.00 H new ATOM 0 HD21 LEU C 43 13.134 -11.958 6.096 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.105 -10.241 5.631 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.619 -11.032 6.207 1.00 0.00 H new ATOM 1412 N ASP C 44 8.977 -12.091 2.298 1.00 0.00 N ATOM 1413 CA ASP C 44 8.167 -13.303 2.282 1.00 0.00 C ATOM 1414 C ASP C 44 8.186 -13.939 0.896 1.00 0.00 C ATOM 1415 O ASP C 44 8.142 -15.161 0.763 1.00 0.00 O ATOM 1416 CB ASP C 44 6.727 -12.972 2.676 1.00 0.00 C ATOM 1417 CG ASP C 44 6.647 -12.672 4.169 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.589 -12.996 4.873 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.641 -12.122 4.589 1.00 0.00 O ATOM 0 H ASP C 44 8.462 -11.239 2.519 1.00 0.00 H new ATOM 0 HA ASP C 44 8.585 -14.009 2.999 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.374 -12.113 2.105 1.00 0.00 H new ATOM 0 HB3 ASP C 44 6.073 -13.809 2.430 1.00 0.00 H new ATOM 1424 N ARG C 45 8.251 -13.102 -0.133 1.00 0.00 N ATOM 1425 CA ARG C 45 8.272 -13.597 -1.505 1.00 0.00 C ATOM 1426 C ARG C 45 9.421 -14.584 -1.694 1.00 0.00 C ATOM 1427 O ARG C 45 9.259 -15.618 -2.344 1.00 0.00 O ATOM 1428 CB ARG C 45 8.437 -12.429 -2.481 1.00 0.00 C ATOM 1429 CG ARG C 45 8.358 -12.945 -3.920 1.00 0.00 C ATOM 1430 CD ARG C 45 8.503 -11.772 -4.891 1.00 0.00 C ATOM 1431 NE ARG C 45 8.422 -12.244 -6.266 1.00 0.00 N ATOM 1432 CZ ARG C 45 8.486 -11.399 -7.288 1.00 0.00 C ATOM 1433 NH1 ARG C 45 8.631 -10.121 -7.069 1.00 0.00 N ATOM 1434 NH2 ARG C 45 8.404 -11.847 -8.511 1.00 0.00 N ATOM 0 H ARG C 45 8.290 -12.086 -0.046 1.00 0.00 H new ATOM 0 HA ARG C 45 7.329 -14.105 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.659 -11.685 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG C 45 9.394 -11.935 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG C 45 9.145 -13.678 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG C 45 7.407 -13.452 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG C 45 7.720 -11.037 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG C 45 9.457 -11.270 -4.727 1.00 0.00 H new ATOM 0 HE ARG C 45 8.314 -13.242 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG C 45 8.695 -9.771 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG C 45 8.680 -9.471 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG C 45 8.291 -12.846 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG C 45 8.453 -11.198 -9.296 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.922 11.674 1.219 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.633 11.450 1.859 1.00 0.00 C ATOM 1639 C VAL D 27 -5.826 10.888 3.265 1.00 0.00 C ATOM 1640 O VAL D 27 -5.160 9.930 3.658 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.850 12.764 1.933 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.567 12.559 2.745 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.483 13.222 0.518 1.00 0.00 C ATOM 0 HA VAL D 27 -5.072 10.728 1.265 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.468 13.521 2.416 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -3.014 13.497 2.794 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.823 12.235 3.754 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.950 11.799 2.265 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.926 14.157 0.571 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.869 12.461 0.037 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.393 13.374 -0.063 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.738 11.490 4.020 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.997 11.042 5.381 1.00 0.00 C ATOM 1655 C VAL D 28 -7.525 9.610 5.384 1.00 0.00 C ATOM 1656 O VAL D 28 -7.044 8.763 6.135 1.00 0.00 O ATOM 1657 CB VAL D 28 -8.021 11.968 6.045 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.411 11.411 7.418 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.412 13.363 6.216 1.00 0.00 C ATOM 0 H VAL D 28 -7.305 12.282 3.716 1.00 0.00 H new ATOM 0 HA VAL D 28 -6.061 11.071 5.939 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.909 12.031 5.416 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.139 12.073 7.886 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.847 10.419 7.298 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.524 11.344 8.049 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.140 14.022 6.688 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.522 13.297 6.842 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -7.140 13.763 5.239 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.512 9.346 4.535 1.00 0.00 N ATOM 1670 CA ALA D 29 -9.098 8.012 4.453 1.00 0.00 C ATOM 1671 C ALA D 29 -8.060 6.998 3.998 1.00 0.00 C ATOM 1672 O ALA D 29 -8.046 5.858 4.460 1.00 0.00 O ATOM 1673 CB ALA D 29 -10.274 8.012 3.472 1.00 0.00 C ATOM 0 H ALA D 29 -8.921 10.031 3.899 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.453 7.734 5.445 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.703 7.012 3.419 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -11.033 8.715 3.814 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.923 8.309 2.484 1.00 0.00 H new ATOM 1679 N ALA D 30 -7.193 7.420 3.087 1.00 0.00 N ATOM 1680 CA ALA D 30 -6.160 6.536 2.578 1.00 0.00 C ATOM 1681 C ALA D 30 -5.300 6.027 3.724 1.00 0.00 C ATOM 1682 O ALA D 30 -4.893 4.865 3.741 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.285 7.281 1.569 1.00 0.00 C ATOM 0 H ALA D 30 -7.186 8.360 2.690 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.634 5.689 2.083 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.513 6.610 1.192 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.901 7.628 0.739 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.817 8.137 2.055 1.00 0.00 H new ATOM 1689 N ASN D 31 -5.026 6.902 4.681 1.00 0.00 N ATOM 1690 CA ASN D 31 -4.213 6.521 5.826 1.00 0.00 C ATOM 1691 C ASN D 31 -4.920 5.448 6.653 1.00 0.00 C ATOM 1692 O ASN D 31 -4.301 4.480 7.090 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.955 7.744 6.707 1.00 0.00 C ATOM 1694 CG ASN D 31 -3.127 8.769 5.940 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -2.167 8.410 5.260 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -3.450 10.033 6.003 1.00 0.00 N ATOM 0 H ASN D 31 -5.350 7.869 4.688 1.00 0.00 H new ATOM 0 HA ASN D 31 -3.267 6.122 5.459 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.902 8.186 7.017 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -3.431 7.445 7.615 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -2.906 10.725 5.488 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -4.247 10.328 6.568 1.00 0.00 H new ATOM 1703 N ILE D 32 -6.223 5.631 6.863 1.00 0.00 N ATOM 1704 CA ILE D 32 -7.005 4.678 7.651 1.00 0.00 C ATOM 1705 C ILE D 32 -7.046 3.319 6.962 1.00 0.00 C ATOM 1706 O ILE D 32 -6.902 2.280 7.605 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.435 5.199 7.831 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -8.410 6.635 8.371 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.190 4.302 8.816 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -7.531 6.734 9.618 1.00 0.00 C ATOM 0 H ILE D 32 -6.756 6.423 6.502 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.530 4.567 8.626 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.938 5.188 6.864 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -8.035 7.310 7.602 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -9.424 6.956 8.610 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.206 4.675 8.942 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.222 3.283 8.429 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.679 4.308 9.779 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -7.530 7.762 9.982 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -7.923 6.075 10.393 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -6.512 6.436 9.370 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.249 3.335 5.652 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.316 2.101 4.880 1.00 0.00 C ATOM 1724 C ILE D 33 -5.985 1.357 4.951 1.00 0.00 C ATOM 1725 O ILE D 33 -5.956 0.136 5.097 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.651 2.423 3.425 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.071 2.989 3.344 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.581 1.141 2.596 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.307 3.556 1.946 1.00 0.00 C ATOM 0 H ILE D 33 -7.370 4.186 5.102 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.095 1.465 5.300 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.939 3.154 3.041 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.800 2.208 3.560 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.208 3.769 4.093 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.820 1.366 1.557 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.576 0.724 2.655 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.298 0.417 2.984 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.317 3.960 1.883 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.586 4.349 1.748 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.187 2.764 1.207 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.887 2.097 4.832 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.563 1.483 4.873 1.00 0.00 C ATOM 1743 C GLY D 34 -3.389 0.631 6.128 1.00 0.00 C ATOM 1744 O GLY D 34 -2.942 -0.513 6.052 1.00 0.00 O ATOM 0 H GLY D 34 -4.886 3.109 4.708 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.418 0.864 3.987 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.798 2.259 4.848 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.742 1.190 7.282 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.617 0.460 8.541 1.00 0.00 C ATOM 1750 C ILE D 35 -4.560 -0.741 8.563 1.00 0.00 C ATOM 1751 O ILE D 35 -4.188 -1.827 9.007 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.930 1.382 9.720 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -3.078 2.657 9.625 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.643 0.660 11.039 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -1.584 2.318 9.532 1.00 0.00 C ATOM 0 H ILE D 35 -4.113 2.136 7.372 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.591 0.102 8.627 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.985 1.655 9.688 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -3.378 3.234 8.750 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -3.258 3.284 10.498 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.869 1.324 11.874 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.264 -0.233 11.108 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.592 0.375 11.076 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.005 3.239 9.466 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -1.281 1.762 10.419 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -1.403 1.711 8.645 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.785 -0.537 8.089 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.777 -1.609 8.072 1.00 0.00 C ATOM 1769 C LEU D 36 -6.303 -2.769 7.198 1.00 0.00 C ATOM 1770 O LEU D 36 -6.454 -3.934 7.565 1.00 0.00 O ATOM 1771 CB LEU D 36 -8.105 -1.072 7.535 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.729 -0.105 8.553 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.901 0.626 7.890 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -9.225 -0.868 9.802 1.00 0.00 C ATOM 0 H LEU D 36 -6.114 0.353 7.714 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.913 -1.973 9.090 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.943 -0.560 6.586 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -8.789 -1.898 7.339 1.00 0.00 H new ATOM 0 HG LEU D 36 -7.973 0.613 8.872 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -10.351 1.315 8.605 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -9.540 1.184 7.026 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -10.647 -0.100 7.567 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -9.663 -0.163 10.509 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -9.977 -1.600 9.507 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -8.386 -1.380 10.273 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.728 -2.445 6.048 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.234 -3.472 5.141 1.00 0.00 C ATOM 1788 C HIS D 37 -4.142 -4.299 5.803 1.00 0.00 C ATOM 1789 O HIS D 37 -4.121 -5.525 5.689 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.678 -2.826 3.875 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.180 -3.899 2.951 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.730 -4.097 1.698 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.194 -4.846 3.082 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.080 -5.126 1.128 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.132 -5.618 1.928 1.00 0.00 N ATOM 0 H HIS D 37 -5.593 -1.488 5.723 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.067 -4.127 4.885 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.452 -2.236 3.383 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.868 -2.142 4.127 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.563 -4.972 3.949 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.298 -5.508 0.142 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.498 -6.394 1.734 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.223 -3.620 6.478 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.117 -4.303 7.134 1.00 0.00 C ATOM 1805 C LEU D 38 -2.636 -5.292 8.170 1.00 0.00 C ATOM 1806 O LEU D 38 -2.102 -6.386 8.300 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.175 -3.257 7.793 1.00 0.00 C ATOM 1808 CG LEU D 38 0.179 -3.213 7.061 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.914 -1.925 7.414 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.029 -4.420 7.489 1.00 0.00 C ATOM 0 H LEU D 38 -3.221 -2.606 6.585 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.554 -4.865 6.389 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.641 -2.272 7.767 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -1.020 -3.509 8.842 1.00 0.00 H new ATOM 0 HG LEU D 38 0.009 -3.247 5.985 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.871 -1.898 6.894 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.312 -1.068 7.111 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.084 -1.887 8.490 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.988 -4.391 6.972 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.196 -4.384 8.566 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.507 -5.342 7.233 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.667 -4.903 8.902 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.226 -5.779 9.918 1.00 0.00 C ATOM 1824 C ILE D 39 -4.772 -7.055 9.276 1.00 0.00 C ATOM 1825 O ILE D 39 -4.566 -8.157 9.783 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.348 -5.048 10.659 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.746 -3.900 11.478 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.074 -6.022 11.591 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.864 -3.011 12.028 1.00 0.00 C ATOM 0 H ILE D 39 -4.129 -3.998 8.814 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.442 -6.052 10.624 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.061 -4.648 9.938 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.151 -4.300 12.299 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.074 -3.310 10.855 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.872 -5.497 12.116 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.500 -6.837 11.005 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.368 -6.427 12.316 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.429 -2.197 12.609 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.441 -2.598 11.200 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.519 -3.603 12.667 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.477 -6.902 8.166 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.040 -8.055 7.475 1.00 0.00 C ATOM 1843 C LEU D 40 -4.949 -8.864 6.778 1.00 0.00 C ATOM 1844 O LEU D 40 -4.962 -10.095 6.804 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.075 -7.582 6.457 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.259 -6.930 7.186 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.172 -6.263 6.155 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.058 -7.982 7.986 1.00 0.00 C ATOM 0 H LEU D 40 -5.672 -6.002 7.727 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.519 -8.702 8.210 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.622 -6.869 5.768 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.423 -8.425 5.860 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.878 -6.186 7.886 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.016 -5.797 6.664 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.612 -5.503 5.611 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.540 -7.013 5.455 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.892 -7.497 8.494 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.441 -8.743 7.306 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.406 -8.450 8.724 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.008 -8.167 6.145 1.00 0.00 N ATOM 1861 CA TRP D 41 -2.923 -8.834 5.435 1.00 0.00 C ATOM 1862 C TRP D 41 -1.970 -9.527 6.405 1.00 0.00 C ATOM 1863 O TRP D 41 -1.602 -10.687 6.208 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.164 -7.814 4.576 1.00 0.00 C ATOM 1865 CG TRP D 41 -0.946 -8.455 3.985 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -0.925 -9.199 2.855 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.432 -8.383 4.452 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.372 -9.619 2.622 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.243 -9.136 3.573 1.00 0.00 C ATOM 1870 CE3 TRP D 41 1.050 -7.753 5.546 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.615 -9.257 3.773 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.434 -7.868 5.744 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.212 -8.620 4.860 1.00 0.00 C ATOM 0 H TRP D 41 -3.976 -7.148 6.110 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.353 -9.600 4.790 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.811 -7.440 3.782 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.876 -6.956 5.183 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.780 -9.427 2.237 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.649 -10.214 1.841 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.455 -7.176 6.239 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.214 -9.841 3.090 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.900 -7.373 6.583 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.277 -8.708 5.019 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.563 -8.809 7.445 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.641 -9.368 8.423 1.00 0.00 C ATOM 1886 C ILE D 42 -1.296 -10.529 9.163 1.00 0.00 C ATOM 1887 O ILE D 42 -0.661 -11.549 9.426 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.210 -8.286 9.424 1.00 0.00 C ATOM 1889 CG1 ILE D 42 1.036 -8.751 10.181 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.335 -8.012 10.433 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.554 -7.604 11.050 1.00 0.00 C ATOM 0 H ILE D 42 -1.854 -7.849 7.631 1.00 0.00 H new ATOM 0 HA ILE D 42 0.241 -9.737 7.899 1.00 0.00 H new ATOM 0 HB ILE D 42 0.009 -7.371 8.873 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.798 -9.615 10.802 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.807 -9.067 9.478 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.014 -7.243 11.136 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.224 -7.671 9.903 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.566 -8.927 10.978 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.442 -7.930 11.592 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.807 -6.754 10.417 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.783 -7.310 11.762 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.568 -10.361 9.498 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.296 -11.400 10.214 1.00 0.00 C ATOM 1905 C LEU D 43 -3.388 -12.663 9.368 1.00 0.00 C ATOM 1906 O LEU D 43 -3.256 -13.774 9.878 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.705 -10.909 10.573 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.483 -12.011 11.313 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -4.726 -12.445 12.581 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -6.872 -11.476 11.691 1.00 0.00 C ATOM 0 H LEU D 43 -3.113 -9.524 9.288 1.00 0.00 H new ATOM 0 HA LEU D 43 -2.755 -11.630 11.132 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.639 -10.019 11.199 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.239 -10.623 9.667 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.586 -12.878 10.661 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.290 -13.225 13.092 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -3.744 -12.829 12.305 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -4.607 -11.589 13.245 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.430 -12.251 12.216 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -6.763 -10.606 12.338 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.410 -11.191 10.787 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.624 -12.483 8.074 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.742 -13.616 7.165 1.00 0.00 C ATOM 1924 C ASP D 44 -2.441 -14.410 7.132 1.00 0.00 C ATOM 1925 O ASP D 44 -2.453 -15.632 6.984 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.077 -13.121 5.757 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.524 -12.641 5.700 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.265 -12.937 6.623 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.870 -11.981 4.734 1.00 0.00 O ATOM 0 H ASP D 44 -3.737 -11.570 7.633 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.542 -14.265 7.521 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.405 -12.309 5.479 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.923 -13.923 5.035 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.320 -13.711 7.269 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.018 -14.367 7.252 1.00 0.00 C ATOM 1936 C ARG D 45 0.040 -15.464 8.312 1.00 0.00 C ATOM 1937 O ARG D 45 0.564 -16.549 8.066 1.00 0.00 O ATOM 1938 CB ARG D 45 1.088 -13.343 7.515 1.00 0.00 C ATOM 1939 CG ARG D 45 2.458 -14.017 7.399 1.00 0.00 C ATOM 1940 CD ARG D 45 3.557 -12.982 7.634 1.00 0.00 C ATOM 1941 NE ARG D 45 4.868 -13.608 7.517 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.983 -12.898 7.651 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.916 -11.621 7.904 1.00 0.00 N ATOM 1944 NH2 ARG D 45 7.144 -13.482 7.533 1.00 0.00 N ATOM 0 H ARG D 45 -1.286 -12.699 7.392 1.00 0.00 H new ATOM 0 HA ARG D 45 0.130 -14.815 6.270 1.00 0.00 H new ATOM 0 HB2 ARG D 45 1.014 -12.523 6.801 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.968 -12.912 8.509 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.541 -14.823 8.128 1.00 0.00 H new ATOM 0 HG3 ARG D 45 2.572 -14.466 6.412 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.466 -12.173 6.910 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.444 -12.539 8.623 1.00 0.00 H new ATOM 0 HE ARG D 45 4.931 -14.609 7.329 1.00 0.00 H new ATOM 0 HH11 ARG D 45 5.008 -11.167 7.999 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.772 -11.076 8.007 1.00 0.00 H new ATOM 0 HH21 ARG D 45 7.194 -14.482 7.338 1.00 0.00 H new ATOM 0 HH22 ARG D 45 8.001 -12.939 7.636 1.00 0.00 H new