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= -0.439 K(o=-0.44,f=-3.5!) USER MOD Single : A 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.5!) USER MOD Single : B 37 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -0.896 K(o=-0.9,f=-4!) USER MOD Single : C 37 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -1.05 K(o=-1,f=-4.1!) USER MOD Single : D 37 HIS : no HD1:sc= -9.97! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.996 12.969 -5.078 1.00 0.00 N ATOM 108 CA VAL A 27 -1.628 12.434 -3.880 1.00 0.00 C ATOM 109 C VAL A 27 -2.938 11.735 -4.234 1.00 0.00 C ATOM 110 O VAL A 27 -3.213 10.632 -3.758 1.00 0.00 O ATOM 111 CB VAL A 27 -1.907 13.570 -2.894 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.676 13.031 -1.686 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.579 14.174 -2.435 1.00 0.00 C ATOM 0 HA VAL A 27 -0.954 11.709 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.508 14.337 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.872 13.844 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.621 12.602 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.083 12.262 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.772 14.984 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.021 13.406 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.039 14.563 -3.298 1.00 0.00 H new ATOM 123 N VAL A 28 -3.743 12.383 -5.068 1.00 0.00 N ATOM 124 CA VAL A 28 -5.022 11.811 -5.474 1.00 0.00 C ATOM 125 C VAL A 28 -4.805 10.503 -6.228 1.00 0.00 C ATOM 126 O VAL A 28 -5.488 9.511 -5.976 1.00 0.00 O ATOM 127 CB VAL A 28 -5.780 12.800 -6.364 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.057 12.144 -6.896 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.149 14.039 -5.546 1.00 0.00 C ATOM 0 H VAL A 28 -3.536 13.296 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.610 11.608 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.147 13.089 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.593 12.851 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.797 11.261 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.692 11.852 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.689 14.745 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.780 13.746 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.241 14.510 -5.170 1.00 0.00 H new ATOM 139 N ALA A 29 -3.850 10.507 -7.150 1.00 0.00 N ATOM 140 CA ALA A 29 -3.557 9.312 -7.933 1.00 0.00 C ATOM 141 C ALA A 29 -3.065 8.186 -7.031 1.00 0.00 C ATOM 142 O ALA A 29 -3.421 7.026 -7.221 1.00 0.00 O ATOM 143 CB ALA A 29 -2.493 9.625 -8.985 1.00 0.00 C ATOM 0 H ALA A 29 -3.270 11.316 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.474 8.992 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.280 8.727 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.858 10.409 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.582 9.963 -8.491 1.00 0.00 H new ATOM 149 N ALA A 30 -2.241 8.536 -6.051 1.00 0.00 N ATOM 150 CA ALA A 30 -1.705 7.539 -5.131 1.00 0.00 C ATOM 151 C ALA A 30 -2.823 6.900 -4.313 1.00 0.00 C ATOM 152 O ALA A 30 -2.828 5.689 -4.091 1.00 0.00 O ATOM 153 CB ALA A 30 -0.690 8.190 -4.192 1.00 0.00 C ATOM 0 H ALA A 30 -1.932 9.492 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.214 6.762 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.294 7.440 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.126 8.615 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.177 8.980 -3.621 1.00 0.00 H new ATOM 159 N ASN A 31 -3.766 7.721 -3.863 1.00 0.00 N ATOM 160 CA ASN A 31 -4.880 7.221 -3.066 1.00 0.00 C ATOM 161 C ASN A 31 -5.735 6.261 -3.889 1.00 0.00 C ATOM 162 O ASN A 31 -6.161 5.215 -3.396 1.00 0.00 O ATOM 163 CB ASN A 31 -5.739 8.392 -2.590 1.00 0.00 C ATOM 164 CG ASN A 31 -5.012 9.156 -1.489 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.077 8.633 -0.883 1.00 0.00 O ATOM 166 ND2 ASN A 31 -5.384 10.372 -1.197 1.00 0.00 N ATOM 0 H ASN A 31 -3.782 8.726 -4.034 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.481 6.686 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.955 9.058 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.696 8.025 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.900 10.892 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.159 10.803 -1.701 1.00 0.00 H new ATOM 173 N ILE A 32 -5.977 6.625 -5.142 1.00 0.00 N ATOM 174 CA ILE A 32 -6.779 5.794 -6.034 1.00 0.00 C ATOM 175 C ILE A 32 -6.080 4.465 -6.303 1.00 0.00 C ATOM 176 O ILE A 32 -6.713 3.409 -6.305 1.00 0.00 O ATOM 177 CB ILE A 32 -7.024 6.525 -7.358 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.922 7.738 -7.108 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.715 5.583 -8.350 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.936 8.631 -8.351 1.00 0.00 C ATOM 0 H ILE A 32 -5.631 7.487 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.735 5.596 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.069 6.850 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.934 7.411 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.559 8.301 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.887 6.107 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.081 4.715 -8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.669 5.256 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.576 9.495 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.923 8.969 -8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.319 8.066 -9.201 1.00 0.00 H new ATOM 192 N ILE A 33 -4.774 4.528 -6.539 1.00 0.00 N ATOM 193 CA ILE A 33 -3.998 3.327 -6.821 1.00 0.00 C ATOM 194 C ILE A 33 -4.024 2.382 -5.619 1.00 0.00 C ATOM 195 O ILE A 33 -4.200 1.173 -5.774 1.00 0.00 O ATOM 196 CB ILE A 33 -2.547 3.716 -7.150 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.486 4.496 -8.489 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.688 2.451 -7.239 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.420 3.550 -9.700 1.00 0.00 C ATOM 0 H ILE A 33 -4.233 5.393 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.438 2.814 -7.676 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.163 4.360 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.363 5.137 -8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.613 5.149 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.659 2.725 -7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.716 1.924 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.077 1.802 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.379 4.136 -10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.529 2.927 -9.627 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.306 2.915 -9.715 1.00 0.00 H new ATOM 211 N GLY A 34 -3.849 2.933 -4.421 1.00 0.00 N ATOM 212 CA GLY A 34 -3.857 2.117 -3.209 1.00 0.00 C ATOM 213 C GLY A 34 -5.219 1.465 -2.998 1.00 0.00 C ATOM 214 O GLY A 34 -5.315 0.264 -2.740 1.00 0.00 O ATOM 0 H GLY A 34 -3.701 3.930 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.088 1.347 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.609 2.737 -2.347 1.00 0.00 H new ATOM 218 N ILE A 35 -6.273 2.267 -3.116 1.00 0.00 N ATOM 219 CA ILE A 35 -7.632 1.765 -2.943 1.00 0.00 C ATOM 220 C ILE A 35 -7.955 0.735 -4.022 1.00 0.00 C ATOM 221 O ILE A 35 -8.554 -0.307 -3.745 1.00 0.00 O ATOM 222 CB ILE A 35 -8.628 2.926 -3.014 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.428 3.835 -1.797 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.061 2.377 -3.004 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.155 5.165 -2.019 1.00 0.00 C ATOM 0 H ILE A 35 -6.213 3.263 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.710 1.286 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.463 3.492 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.809 3.347 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.365 4.013 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.768 3.205 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.206 1.723 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.228 1.813 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.010 5.808 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.753 5.656 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.220 4.979 -2.159 1.00 0.00 H new ATOM 237 N LEU A 36 -7.556 1.031 -5.255 1.00 0.00 N ATOM 238 CA LEU A 36 -7.811 0.122 -6.364 1.00 0.00 C ATOM 239 C LEU A 36 -7.137 -1.220 -6.107 1.00 0.00 C ATOM 240 O LEU A 36 -7.701 -2.274 -6.394 1.00 0.00 O ATOM 241 CB LEU A 36 -7.291 0.723 -7.674 1.00 0.00 C ATOM 242 CG LEU A 36 -7.518 -0.253 -8.842 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.009 -0.611 -8.961 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.037 0.405 -10.140 1.00 0.00 C ATOM 0 H LEU A 36 -7.060 1.885 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.887 -0.030 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.800 1.666 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.228 0.948 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.957 -1.170 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.152 -1.302 -9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.345 -1.080 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.588 0.295 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.194 -0.279 -10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.599 1.323 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.976 0.640 -10.057 1.00 0.00 H new ATOM 256 N HIS A 37 -5.923 -1.172 -5.567 1.00 0.00 N ATOM 257 CA HIS A 37 -5.182 -2.394 -5.281 1.00 0.00 C ATOM 258 C HIS A 37 -5.986 -3.286 -4.344 1.00 0.00 C ATOM 259 O HIS A 37 -6.031 -4.503 -4.519 1.00 0.00 O ATOM 260 CB HIS A 37 -3.847 -2.052 -4.626 1.00 0.00 C ATOM 261 CG HIS A 37 -3.083 -3.322 -4.362 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.860 -3.587 -4.950 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.367 -4.415 -3.584 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.460 -4.796 -4.519 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.341 -5.342 -3.683 1.00 0.00 N ATOM 0 H HIS A 37 -5.436 -0.310 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.004 -2.921 -6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.269 -1.394 -5.275 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.014 -1.514 -3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.257 -4.536 -2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.535 -5.268 -4.815 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.275 -6.247 -3.216 1.00 0.00 H new ATOM 273 N LEU A 38 -6.622 -2.676 -3.354 1.00 0.00 N ATOM 274 CA LEU A 38 -7.420 -3.429 -2.394 1.00 0.00 C ATOM 275 C LEU A 38 -8.549 -4.172 -3.089 1.00 0.00 C ATOM 276 O LEU A 38 -8.857 -5.303 -2.728 1.00 0.00 O ATOM 277 CB LEU A 38 -7.993 -2.478 -1.325 1.00 0.00 C ATOM 278 CG LEU A 38 -7.016 -2.361 -0.135 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.252 -1.049 0.602 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.238 -3.528 0.841 1.00 0.00 C ATOM 0 H LEU A 38 -6.602 -1.669 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.774 -4.163 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.167 -1.494 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.957 -2.849 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.995 -2.390 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.559 -0.973 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.089 -0.214 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.276 -1.020 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.545 -3.439 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.262 -3.501 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.064 -4.472 0.325 1.00 0.00 H new ATOM 292 N ILE A 39 -9.170 -3.540 -4.070 1.00 0.00 N ATOM 293 CA ILE A 39 -10.273 -4.182 -4.769 1.00 0.00 C ATOM 294 C ILE A 39 -9.793 -5.459 -5.460 1.00 0.00 C ATOM 295 O ILE A 39 -10.452 -6.495 -5.396 1.00 0.00 O ATOM 296 CB ILE A 39 -10.848 -3.221 -5.809 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.468 -2.019 -5.088 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.934 -3.935 -6.622 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.844 -0.941 -6.107 1.00 0.00 C ATOM 0 H ILE A 39 -8.937 -2.602 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.045 -4.443 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.055 -2.887 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.352 -2.332 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.763 -1.616 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.344 -3.249 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.502 -4.799 -7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.730 -4.265 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.284 -0.089 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.951 -0.619 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.565 -1.347 -6.816 1.00 0.00 H new ATOM 311 N LEU A 40 -8.646 -5.384 -6.126 1.00 0.00 N ATOM 312 CA LEU A 40 -8.103 -6.553 -6.813 1.00 0.00 C ATOM 313 C LEU A 40 -7.537 -7.570 -5.817 1.00 0.00 C ATOM 314 O LEU A 40 -7.766 -8.772 -5.950 1.00 0.00 O ATOM 315 CB LEU A 40 -7.006 -6.118 -7.798 1.00 0.00 C ATOM 316 CG LEU A 40 -7.639 -5.639 -9.111 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.503 -4.406 -8.845 1.00 0.00 C ATOM 318 CD2 LEU A 40 -6.531 -5.281 -10.102 1.00 0.00 C ATOM 0 H LEU A 40 -8.080 -4.539 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.915 -7.032 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.409 -5.318 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.330 -6.951 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.261 -6.432 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.952 -4.068 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.290 -4.660 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.884 -3.610 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.975 -4.940 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.911 -4.488 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.915 -6.160 -10.292 1.00 0.00 H new ATOM 330 N TRP A 41 -6.791 -7.082 -4.828 1.00 0.00 N ATOM 331 CA TRP A 41 -6.184 -7.962 -3.833 1.00 0.00 C ATOM 332 C TRP A 41 -7.245 -8.638 -2.967 1.00 0.00 C ATOM 333 O TRP A 41 -7.191 -9.846 -2.737 1.00 0.00 O ATOM 334 CB TRP A 41 -5.219 -7.161 -2.954 1.00 0.00 C ATOM 335 CG TRP A 41 -4.748 -8.004 -1.809 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.722 -8.884 -1.854 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.250 -8.031 -0.444 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.583 -9.471 -0.609 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.497 -8.970 0.294 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.280 -7.339 0.217 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.756 -9.214 1.639 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.538 -7.581 1.574 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.780 -8.515 2.281 1.00 0.00 C ATOM 0 H TRP A 41 -6.594 -6.090 -4.695 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.635 -8.743 -4.359 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.366 -6.828 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.715 -6.266 -2.578 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.111 -9.094 -2.720 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.890 -10.186 -0.387 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.875 -6.618 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.169 -9.939 2.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.328 -7.041 2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.985 -8.697 3.325 1.00 0.00 H new ATOM 354 N ILE A 42 -8.198 -7.857 -2.480 1.00 0.00 N ATOM 355 CA ILE A 42 -9.251 -8.400 -1.631 1.00 0.00 C ATOM 356 C ILE A 42 -10.103 -9.386 -2.422 1.00 0.00 C ATOM 357 O ILE A 42 -10.598 -10.373 -1.874 1.00 0.00 O ATOM 358 CB ILE A 42 -10.129 -7.265 -1.082 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.961 -7.780 0.098 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.077 -6.743 -2.176 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.665 -6.598 0.762 1.00 0.00 C ATOM 0 H ILE A 42 -8.265 -6.854 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.791 -8.923 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.481 -6.453 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.694 -8.509 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.320 -8.289 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.692 -5.939 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.492 -6.365 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.719 -7.554 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.260 -6.954 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.921 -5.886 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.317 -6.109 0.038 1.00 0.00 H new ATOM 373 N LEU A 43 -10.274 -9.111 -3.711 1.00 0.00 N ATOM 374 CA LEU A 43 -11.077 -9.981 -4.560 1.00 0.00 C ATOM 375 C LEU A 43 -10.467 -11.376 -4.613 1.00 0.00 C ATOM 376 O LEU A 43 -11.176 -12.374 -4.513 1.00 0.00 O ATOM 377 CB LEU A 43 -11.162 -9.400 -5.980 1.00 0.00 C ATOM 378 CG LEU A 43 -11.933 -10.358 -6.907 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.327 -10.653 -6.331 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.076 -9.705 -8.289 1.00 0.00 C ATOM 0 H LEU A 43 -9.872 -8.302 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.080 -10.048 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.659 -8.430 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.159 -9.233 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.385 -11.296 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.860 -11.331 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.225 -11.115 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.887 -9.722 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.621 -10.375 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.622 -8.766 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.087 -9.509 -8.703 1.00 0.00 H new ATOM 392 N ASP A 44 -9.151 -11.440 -4.767 1.00 0.00 N ATOM 393 CA ASP A 44 -8.473 -12.725 -4.829 1.00 0.00 C ATOM 394 C ASP A 44 -8.617 -13.470 -3.506 1.00 0.00 C ATOM 395 O ASP A 44 -8.833 -14.683 -3.485 1.00 0.00 O ATOM 396 CB ASP A 44 -6.996 -12.518 -5.150 1.00 0.00 C ATOM 397 CG ASP A 44 -6.344 -13.858 -5.482 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.070 -14.828 -5.613 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.130 -13.890 -5.596 1.00 0.00 O ATOM 0 H ASP A 44 -8.540 -10.628 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.932 -13.323 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.890 -11.834 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.491 -12.059 -4.300 1.00 0.00 H new ATOM 404 N ARG A 45 -8.497 -12.739 -2.404 1.00 0.00 N ATOM 405 CA ARG A 45 -8.617 -13.340 -1.083 1.00 0.00 C ATOM 406 C ARG A 45 -10.067 -13.728 -0.796 1.00 0.00 C ATOM 407 O ARG A 45 -10.333 -14.584 0.046 1.00 0.00 O ATOM 408 CB ARG A 45 -8.131 -12.354 -0.018 1.00 0.00 C ATOM 409 CG ARG A 45 -8.159 -13.022 1.360 1.00 0.00 C ATOM 410 CD ARG A 45 -7.627 -12.050 2.414 1.00 0.00 C ATOM 411 NE ARG A 45 -7.491 -12.729 3.698 1.00 0.00 N ATOM 412 CZ ARG A 45 -7.345 -12.043 4.824 1.00 0.00 C ATOM 413 NH1 ARG A 45 -7.323 -10.739 4.797 1.00 0.00 N ATOM 414 NH2 ARG A 45 -7.225 -12.673 5.962 1.00 0.00 N ATOM 0 H ARG A 45 -8.318 -11.735 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.002 -14.240 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.119 -12.023 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.764 -11.467 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.177 -13.322 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.553 -13.928 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.662 -11.653 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.304 -11.201 2.512 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.508 -13.748 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.418 -10.246 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.211 -10.213 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.244 -13.693 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.113 -12.145 6.828 1.00 0.00 H new ATOM 617 N VAL B 27 6.589 12.288 0.112 1.00 0.00 N ATOM 618 CA VAL B 27 5.339 11.959 -0.561 1.00 0.00 C ATOM 619 C VAL B 27 5.617 11.339 -1.928 1.00 0.00 C ATOM 620 O VAL B 27 5.011 10.332 -2.297 1.00 0.00 O ATOM 621 CB VAL B 27 4.499 13.223 -0.733 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.236 12.899 -1.538 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.101 13.761 0.643 1.00 0.00 C ATOM 0 HA VAL B 27 4.793 11.238 0.048 1.00 0.00 H new ATOM 0 HB VAL B 27 5.083 13.974 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.639 13.803 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.518 12.517 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.651 12.146 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.501 14.663 0.521 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.519 13.007 1.174 1.00 0.00 H new ATOM 0 HG23 VAL B 27 4.998 13.996 1.215 1.00 0.00 H new ATOM 633 N VAL B 28 6.533 11.945 -2.674 1.00 0.00 N ATOM 634 CA VAL B 28 6.878 11.439 -3.999 1.00 0.00 C ATOM 635 C VAL B 28 7.466 10.035 -3.896 1.00 0.00 C ATOM 636 O VAL B 28 7.101 9.143 -4.663 1.00 0.00 O ATOM 637 CB VAL B 28 7.890 12.373 -4.670 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.352 11.768 -5.998 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.231 13.731 -4.930 1.00 0.00 C ATOM 0 H VAL B 28 7.046 12.779 -2.389 1.00 0.00 H new ATOM 0 HA VAL B 28 5.970 11.399 -4.601 1.00 0.00 H new ATOM 0 HB VAL B 28 8.752 12.502 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.072 12.436 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.821 10.801 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.493 11.635 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.949 14.398 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.369 13.598 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.906 14.165 -3.984 1.00 0.00 H new ATOM 649 N ALA B 29 8.375 9.844 -2.946 1.00 0.00 N ATOM 650 CA ALA B 29 9.001 8.542 -2.758 1.00 0.00 C ATOM 651 C ALA B 29 7.964 7.496 -2.363 1.00 0.00 C ATOM 652 O ALA B 29 8.016 6.356 -2.818 1.00 0.00 O ATOM 653 CB ALA B 29 10.076 8.629 -1.671 1.00 0.00 C ATOM 0 H ALA B 29 8.692 10.567 -2.300 1.00 0.00 H new ATOM 0 HA ALA B 29 9.459 8.245 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.538 7.651 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.836 9.352 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.620 8.946 -0.733 1.00 0.00 H new ATOM 659 N ALA B 30 7.026 7.892 -1.511 1.00 0.00 N ATOM 660 CA ALA B 30 5.985 6.973 -1.062 1.00 0.00 C ATOM 661 C ALA B 30 5.107 6.535 -2.231 1.00 0.00 C ATOM 662 O ALA B 30 4.746 5.363 -2.341 1.00 0.00 O ATOM 663 CB ALA B 30 5.125 7.644 0.007 1.00 0.00 C ATOM 0 H ALA B 30 6.964 8.832 -1.120 1.00 0.00 H new ATOM 0 HA ALA B 30 6.465 6.090 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.350 6.952 0.338 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.750 7.921 0.856 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.660 8.538 -0.408 1.00 0.00 H new ATOM 669 N ASN B 31 4.767 7.482 -3.099 1.00 0.00 N ATOM 670 CA ASN B 31 3.931 7.175 -4.254 1.00 0.00 C ATOM 671 C ASN B 31 4.641 6.202 -5.187 1.00 0.00 C ATOM 672 O ASN B 31 4.033 5.265 -5.705 1.00 0.00 O ATOM 673 CB ASN B 31 3.595 8.461 -5.011 1.00 0.00 C ATOM 674 CG ASN B 31 2.617 9.304 -4.200 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.959 8.791 -3.295 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.481 10.572 -4.471 1.00 0.00 N ATOM 0 H ASN B 31 5.054 8.458 -3.027 1.00 0.00 H new ATOM 0 HA ASN B 31 3.010 6.711 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.506 9.029 -5.202 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.161 8.219 -5.981 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.828 11.141 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.027 10.995 -5.221 1.00 0.00 H new ATOM 683 N ILE B 32 5.932 6.433 -5.398 1.00 0.00 N ATOM 684 CA ILE B 32 6.723 5.572 -6.270 1.00 0.00 C ATOM 685 C ILE B 32 6.821 4.164 -5.688 1.00 0.00 C ATOM 686 O ILE B 32 6.701 3.174 -6.410 1.00 0.00 O ATOM 687 CB ILE B 32 8.128 6.155 -6.451 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.035 7.461 -7.242 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.005 5.161 -7.221 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.376 8.193 -7.179 1.00 0.00 C ATOM 0 H ILE B 32 6.451 7.205 -4.980 1.00 0.00 H new ATOM 0 HA ILE B 32 6.228 5.517 -7.240 1.00 0.00 H new ATOM 0 HB ILE B 32 8.569 6.345 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.771 7.252 -8.279 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.245 8.091 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.004 5.579 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.071 4.226 -6.664 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.565 4.970 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.309 9.124 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.621 8.415 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.155 7.563 -7.609 1.00 0.00 H new ATOM 702 N ILE B 33 7.050 4.087 -4.381 1.00 0.00 N ATOM 703 CA ILE B 33 7.177 2.799 -3.712 1.00 0.00 C ATOM 704 C ILE B 33 5.869 2.011 -3.817 1.00 0.00 C ATOM 705 O ILE B 33 5.879 0.813 -4.096 1.00 0.00 O ATOM 706 CB ILE B 33 7.537 3.019 -2.232 1.00 0.00 C ATOM 707 CG1 ILE B 33 8.960 3.623 -2.107 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.465 1.685 -1.487 1.00 0.00 C ATOM 709 CD1 ILE B 33 10.046 2.532 -2.121 1.00 0.00 C ATOM 0 H ILE B 33 7.151 4.896 -3.768 1.00 0.00 H new ATOM 0 HA ILE B 33 7.968 2.227 -4.197 1.00 0.00 H new ATOM 0 HB ILE B 33 6.826 3.718 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.133 4.319 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.032 4.196 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.720 1.840 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.455 1.282 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.169 0.982 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE B 33 11.028 2.995 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.888 1.851 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.991 1.976 -3.057 1.00 0.00 H new ATOM 721 N GLY B 34 4.744 2.688 -3.594 1.00 0.00 N ATOM 722 CA GLY B 34 3.444 2.027 -3.670 1.00 0.00 C ATOM 723 C GLY B 34 3.167 1.527 -5.084 1.00 0.00 C ATOM 724 O GLY B 34 2.765 0.377 -5.282 1.00 0.00 O ATOM 0 H GLY B 34 4.706 3.681 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.416 1.190 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.661 2.721 -3.366 1.00 0.00 H new ATOM 728 N ILE B 35 3.392 2.393 -6.064 1.00 0.00 N ATOM 729 CA ILE B 35 3.170 2.035 -7.461 1.00 0.00 C ATOM 730 C ILE B 35 4.120 0.911 -7.873 1.00 0.00 C ATOM 731 O ILE B 35 3.723 -0.034 -8.559 1.00 0.00 O ATOM 732 CB ILE B 35 3.392 3.260 -8.355 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.294 4.291 -8.076 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.331 2.841 -9.828 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.683 5.638 -8.688 1.00 0.00 C ATOM 0 H ILE B 35 3.727 3.345 -5.919 1.00 0.00 H new ATOM 0 HA ILE B 35 2.143 1.689 -7.578 1.00 0.00 H new ATOM 0 HB ILE B 35 4.369 3.693 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.347 3.950 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.147 4.398 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.489 3.714 -10.461 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.107 2.102 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.354 2.409 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.899 6.369 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.620 5.980 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.807 5.526 -9.765 1.00 0.00 H new ATOM 747 N LEU B 36 5.374 1.021 -7.451 1.00 0.00 N ATOM 748 CA LEU B 36 6.367 0.008 -7.785 1.00 0.00 C ATOM 749 C LEU B 36 5.944 -1.344 -7.228 1.00 0.00 C ATOM 750 O LEU B 36 6.104 -2.375 -7.880 1.00 0.00 O ATOM 751 CB LEU B 36 7.737 0.398 -7.214 1.00 0.00 C ATOM 752 CG LEU B 36 8.779 -0.691 -7.526 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.868 -0.933 -9.042 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.143 -0.239 -6.992 1.00 0.00 C ATOM 0 H LEU B 36 5.725 1.792 -6.883 1.00 0.00 H new ATOM 0 HA LEU B 36 6.442 -0.061 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.058 1.349 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.662 0.540 -6.136 1.00 0.00 H new ATOM 0 HG LEU B 36 8.480 -1.623 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.610 -1.706 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.896 -1.255 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.161 -0.010 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.890 -1.003 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.431 0.695 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.080 -0.087 -5.914 1.00 0.00 H new ATOM 766 N HIS B 37 5.402 -1.335 -6.015 1.00 0.00 N ATOM 767 CA HIS B 37 4.962 -2.571 -5.382 1.00 0.00 C ATOM 768 C HIS B 37 3.931 -3.270 -6.258 1.00 0.00 C ATOM 769 O HIS B 37 3.955 -4.492 -6.405 1.00 0.00 O ATOM 770 CB HIS B 37 4.340 -2.269 -4.019 1.00 0.00 C ATOM 771 CG HIS B 37 3.922 -3.558 -3.370 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.469 -4.000 -2.177 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.016 -4.517 -3.742 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.890 -5.176 -1.882 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.996 -5.537 -2.801 1.00 0.00 N ATOM 0 H HIS B 37 5.258 -0.494 -5.456 1.00 0.00 H new ATOM 0 HA HIS B 37 5.827 -3.221 -5.251 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.057 -1.745 -3.387 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.479 -1.611 -4.137 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.408 -4.484 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.122 -5.760 -1.003 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.422 -6.380 -2.811 1.00 0.00 H new ATOM 783 N LEU B 38 3.027 -2.492 -6.838 1.00 0.00 N ATOM 784 CA LEU B 38 1.990 -3.052 -7.695 1.00 0.00 C ATOM 785 C LEU B 38 2.601 -3.775 -8.885 1.00 0.00 C ATOM 786 O LEU B 38 2.109 -4.823 -9.288 1.00 0.00 O ATOM 787 CB LEU B 38 1.051 -1.931 -8.184 1.00 0.00 C ATOM 788 CG LEU B 38 -0.123 -1.751 -7.197 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.692 -0.342 -7.318 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.235 -2.765 -7.516 1.00 0.00 C ATOM 0 H LEU B 38 2.990 -1.478 -6.732 1.00 0.00 H new ATOM 0 HA LEU B 38 1.417 -3.774 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.605 -0.997 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.668 -2.174 -9.175 1.00 0.00 H new ATOM 0 HG LEU B 38 0.245 -1.914 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.520 -0.223 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.086 0.386 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.050 -0.180 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.060 -2.632 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.593 -2.605 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.841 -3.777 -7.425 1.00 0.00 H new ATOM 802 N ILE B 39 3.657 -3.215 -9.450 1.00 0.00 N ATOM 803 CA ILE B 39 4.284 -3.842 -10.606 1.00 0.00 C ATOM 804 C ILE B 39 4.810 -5.231 -10.236 1.00 0.00 C ATOM 805 O ILE B 39 4.627 -6.190 -10.983 1.00 0.00 O ATOM 806 CB ILE B 39 5.438 -2.969 -11.098 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.876 -1.641 -11.610 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.170 -3.682 -12.241 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.021 -0.669 -11.896 1.00 0.00 C ATOM 0 H ILE B 39 4.092 -2.347 -9.138 1.00 0.00 H new ATOM 0 HA ILE B 39 3.542 -3.946 -11.398 1.00 0.00 H new ATOM 0 HB ILE B 39 6.134 -2.787 -10.279 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.293 -1.808 -12.516 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.200 -1.213 -10.870 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.993 -3.059 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.563 -4.634 -11.884 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.476 -3.861 -13.062 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.615 0.275 -12.260 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.585 -0.492 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.680 -1.096 -12.652 1.00 0.00 H new ATOM 821 N LEU B 40 5.469 -5.335 -9.089 1.00 0.00 N ATOM 822 CA LEU B 40 6.004 -6.621 -8.649 1.00 0.00 C ATOM 823 C LEU B 40 4.885 -7.555 -8.171 1.00 0.00 C ATOM 824 O LEU B 40 4.874 -8.740 -8.502 1.00 0.00 O ATOM 825 CB LEU B 40 7.023 -6.405 -7.520 1.00 0.00 C ATOM 826 CG LEU B 40 8.390 -6.039 -8.109 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.286 -4.713 -8.866 1.00 0.00 C ATOM 828 CD2 LEU B 40 9.407 -5.899 -6.976 1.00 0.00 C ATOM 0 H LEU B 40 5.645 -4.557 -8.453 1.00 0.00 H new ATOM 0 HA LEU B 40 6.497 -7.091 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.680 -5.611 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.108 -7.310 -6.918 1.00 0.00 H new ATOM 0 HG LEU B 40 8.711 -6.822 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.259 -4.455 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.559 -4.811 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.965 -3.928 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU B 40 10.381 -5.639 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.083 -5.115 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU B 40 9.483 -6.843 -6.437 1.00 0.00 H new ATOM 840 N TRP B 41 3.956 -7.015 -7.385 1.00 0.00 N ATOM 841 CA TRP B 41 2.855 -7.816 -6.858 1.00 0.00 C ATOM 842 C TRP B 41 1.924 -8.286 -7.971 1.00 0.00 C ATOM 843 O TRP B 41 1.549 -9.460 -8.022 1.00 0.00 O ATOM 844 CB TRP B 41 2.071 -6.999 -5.824 1.00 0.00 C ATOM 845 CG TRP B 41 0.827 -7.733 -5.428 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.755 -8.697 -4.481 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.527 -7.549 -5.929 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.555 -9.136 -4.392 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.380 -8.450 -5.256 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.089 -6.695 -6.894 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.742 -8.505 -5.535 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.463 -6.745 -7.168 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.287 -7.647 -6.491 1.00 0.00 C ATOM 0 H TRP B 41 3.943 -6.035 -7.101 1.00 0.00 H new ATOM 0 HA TRP B 41 3.276 -8.701 -6.381 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.691 -6.817 -4.946 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.812 -6.025 -6.239 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.583 -9.063 -3.892 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.870 -9.876 -3.764 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.460 -5.997 -7.427 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.374 -9.209 -5.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.887 -6.082 -7.907 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.345 -7.680 -6.707 1.00 0.00 H new ATOM 864 N ILE B 42 1.544 -7.373 -8.852 1.00 0.00 N ATOM 865 CA ILE B 42 0.648 -7.719 -9.946 1.00 0.00 C ATOM 866 C ILE B 42 1.319 -8.717 -10.882 1.00 0.00 C ATOM 867 O ILE B 42 0.661 -9.582 -11.459 1.00 0.00 O ATOM 868 CB ILE B 42 0.247 -6.454 -10.725 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.977 -6.747 -11.595 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.407 -5.988 -11.625 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.485 -5.438 -12.196 1.00 0.00 C ATOM 0 H ILE B 42 1.838 -6.397 -8.832 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.250 -8.176 -9.529 1.00 0.00 H new ATOM 0 HB ILE B 42 0.010 -5.667 -10.009 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.716 -7.449 -12.387 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.759 -7.216 -10.998 1.00 0.00 H new ATOM 0 HG21 ILE B 42 1.108 -5.092 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.278 -5.764 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.657 -6.777 -12.334 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.358 -5.638 -12.818 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.760 -4.752 -11.395 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.701 -4.989 -12.805 1.00 0.00 H new ATOM 883 N LEU B 43 2.634 -8.587 -11.030 1.00 0.00 N ATOM 884 CA LEU B 43 3.378 -9.484 -11.904 1.00 0.00 C ATOM 885 C LEU B 43 3.254 -10.920 -11.418 1.00 0.00 C ATOM 886 O LEU B 43 3.041 -11.836 -12.210 1.00 0.00 O ATOM 887 CB LEU B 43 4.859 -9.076 -11.942 1.00 0.00 C ATOM 888 CG LEU B 43 5.670 -10.068 -12.793 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.075 -10.171 -14.205 1.00 0.00 C ATOM 890 CD2 LEU B 43 7.123 -9.581 -12.879 1.00 0.00 C ATOM 0 H LEU B 43 3.199 -7.878 -10.562 1.00 0.00 H new ATOM 0 HA LEU B 43 2.961 -9.414 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.955 -8.071 -12.354 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.260 -9.045 -10.929 1.00 0.00 H new ATOM 0 HG LEU B 43 5.635 -11.053 -12.328 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.659 -10.877 -14.796 1.00 0.00 H new ATOM 0 HD12 LEU B 43 4.044 -10.518 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU B 43 5.099 -9.191 -14.682 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.706 -10.279 -13.481 1.00 0.00 H new ATOM 0 HD22 LEU B 43 7.149 -8.594 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.548 -9.524 -11.877 1.00 0.00 H new ATOM 902 N ASP B 44 3.389 -11.115 -10.113 1.00 0.00 N ATOM 903 CA ASP B 44 3.285 -12.452 -9.548 1.00 0.00 C ATOM 904 C ASP B 44 1.885 -13.015 -9.753 1.00 0.00 C ATOM 905 O ASP B 44 1.717 -14.193 -10.072 1.00 0.00 O ATOM 906 CB ASP B 44 3.616 -12.414 -8.057 1.00 0.00 C ATOM 907 CG ASP B 44 3.776 -13.831 -7.525 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.795 -14.748 -8.331 1.00 0.00 O ATOM 909 OD2 ASP B 44 3.875 -13.982 -6.318 1.00 0.00 O ATOM 0 H ASP B 44 3.568 -10.375 -9.434 1.00 0.00 H new ATOM 0 HA ASP B 44 3.997 -13.100 -10.059 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.534 -11.849 -7.894 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.824 -11.899 -7.513 1.00 0.00 H new ATOM 914 N ARG B 45 0.879 -12.167 -9.571 1.00 0.00 N ATOM 915 CA ARG B 45 -0.507 -12.590 -9.739 1.00 0.00 C ATOM 916 C ARG B 45 -0.823 -12.814 -11.217 1.00 0.00 C ATOM 917 O ARG B 45 -1.761 -13.534 -11.557 1.00 0.00 O ATOM 918 CB ARG B 45 -1.448 -11.526 -9.170 1.00 0.00 C ATOM 919 CG ARG B 45 -2.896 -12.017 -9.253 1.00 0.00 C ATOM 920 CD ARG B 45 -3.828 -10.971 -8.641 1.00 0.00 C ATOM 921 NE ARG B 45 -5.186 -11.496 -8.562 1.00 0.00 N ATOM 922 CZ ARG B 45 -6.223 -10.692 -8.358 1.00 0.00 C ATOM 923 NH1 ARG B 45 -6.036 -9.408 -8.224 1.00 0.00 N ATOM 924 NH2 ARG B 45 -7.430 -11.187 -8.292 1.00 0.00 N ATOM 0 H ARG B 45 0.995 -11.188 -9.309 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.650 -13.528 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.186 -11.312 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.338 -10.595 -9.726 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -3.170 -12.199 -10.292 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.000 -12.965 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.477 -10.697 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.815 -10.063 -9.244 1.00 0.00 H new ATOM 0 HE ARG B 45 -5.342 -12.499 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -5.093 -9.022 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.832 -8.790 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -7.576 -12.191 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -8.227 -10.570 -8.135 1.00 0.00 H new ATOM 1127 N VAL C 27 1.490 11.536 7.787 1.00 0.00 N ATOM 1128 CA VAL C 27 2.114 11.244 6.501 1.00 0.00 C ATOM 1129 C VAL C 27 3.391 10.432 6.703 1.00 0.00 C ATOM 1130 O VAL C 27 3.628 9.447 6.003 1.00 0.00 O ATOM 1131 CB VAL C 27 2.446 12.550 5.780 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.198 12.250 4.481 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.149 13.293 5.460 1.00 0.00 C ATOM 0 HA VAL C 27 1.417 10.662 5.898 1.00 0.00 H new ATOM 0 HB VAL C 27 3.075 13.168 6.421 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.432 13.185 3.972 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.123 11.720 4.710 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.576 11.631 3.835 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.381 14.225 4.946 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.522 12.672 4.820 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.617 13.512 6.386 1.00 0.00 H new ATOM 1143 N VAL C 28 4.210 10.852 7.660 1.00 0.00 N ATOM 1144 CA VAL C 28 5.460 10.154 7.940 1.00 0.00 C ATOM 1145 C VAL C 28 5.183 8.724 8.392 1.00 0.00 C ATOM 1146 O VAL C 28 5.831 7.782 7.936 1.00 0.00 O ATOM 1147 CB VAL C 28 6.246 10.897 9.024 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.490 10.089 9.408 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.673 12.265 8.493 1.00 0.00 C ATOM 0 H VAL C 28 4.034 11.665 8.251 1.00 0.00 H new ATOM 0 HA VAL C 28 6.052 10.125 7.025 1.00 0.00 H new ATOM 0 HB VAL C 28 5.615 11.025 9.903 1.00 0.00 H new ATOM 0 HG11 VAL C 28 8.046 10.622 10.180 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.187 9.113 9.787 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.123 9.957 8.531 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.233 12.796 9.263 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.302 12.133 7.613 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.789 12.843 8.224 1.00 0.00 H new ATOM 1159 N ALA C 29 4.218 8.569 9.293 1.00 0.00 N ATOM 1160 CA ALA C 29 3.868 7.247 9.797 1.00 0.00 C ATOM 1161 C ALA C 29 3.342 6.363 8.671 1.00 0.00 C ATOM 1162 O ALA C 29 3.650 5.174 8.610 1.00 0.00 O ATOM 1163 CB ALA C 29 2.804 7.369 10.889 1.00 0.00 C ATOM 0 H ALA C 29 3.670 9.334 9.685 1.00 0.00 H new ATOM 0 HA ALA C 29 4.766 6.790 10.212 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.548 6.377 11.260 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.191 7.974 11.709 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.913 7.843 10.478 1.00 0.00 H new ATOM 1169 N ALA C 30 2.544 6.948 7.785 1.00 0.00 N ATOM 1170 CA ALA C 30 1.983 6.196 6.671 1.00 0.00 C ATOM 1171 C ALA C 30 3.085 5.699 5.740 1.00 0.00 C ATOM 1172 O ALA C 30 3.047 4.563 5.269 1.00 0.00 O ATOM 1173 CB ALA C 30 1.006 7.074 5.890 1.00 0.00 C ATOM 0 H ALA C 30 2.273 7.931 7.816 1.00 0.00 H new ATOM 0 HA ALA C 30 1.454 5.332 7.073 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.590 6.505 5.058 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.199 7.396 6.549 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.531 7.949 5.505 1.00 0.00 H new ATOM 1179 N ASN C 31 4.065 6.558 5.476 1.00 0.00 N ATOM 1180 CA ASN C 31 5.170 6.190 4.599 1.00 0.00 C ATOM 1181 C ASN C 31 5.976 5.046 5.205 1.00 0.00 C ATOM 1182 O ASN C 31 6.371 4.113 4.504 1.00 0.00 O ATOM 1183 CB ASN C 31 6.083 7.396 4.376 1.00 0.00 C ATOM 1184 CG ASN C 31 5.382 8.422 3.491 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.419 8.091 2.800 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.810 9.655 3.472 1.00 0.00 N ATOM 0 H ASN C 31 4.116 7.504 5.853 1.00 0.00 H new ATOM 0 HA ASN C 31 4.758 5.864 3.644 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.345 7.847 5.333 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.015 7.076 3.909 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.346 10.347 2.883 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.608 9.927 4.046 1.00 0.00 H new ATOM 1193 N ILE C 32 6.216 5.126 6.508 1.00 0.00 N ATOM 1194 CA ILE C 32 6.975 4.091 7.203 1.00 0.00 C ATOM 1195 C ILE C 32 6.219 2.765 7.177 1.00 0.00 C ATOM 1196 O ILE C 32 6.811 1.708 6.956 1.00 0.00 O ATOM 1197 CB ILE C 32 7.229 4.512 8.653 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.177 5.712 8.672 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.870 3.352 9.423 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.211 6.315 10.077 1.00 0.00 C ATOM 0 H ILE C 32 5.899 5.891 7.103 1.00 0.00 H new ATOM 0 HA ILE C 32 7.930 3.961 6.693 1.00 0.00 H new ATOM 0 HB ILE C 32 6.282 4.780 9.122 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.179 5.402 8.374 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.847 6.461 7.952 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.049 3.655 10.455 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.201 2.492 9.409 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.816 3.083 8.954 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.887 7.170 10.090 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.209 6.640 10.358 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.561 5.565 10.786 1.00 0.00 H new ATOM 1212 N ILE C 33 4.914 2.832 7.418 1.00 0.00 N ATOM 1213 CA ILE C 33 4.087 1.631 7.432 1.00 0.00 C ATOM 1214 C ILE C 33 4.090 0.963 6.055 1.00 0.00 C ATOM 1215 O ILE C 33 4.216 -0.256 5.949 1.00 0.00 O ATOM 1216 CB ILE C 33 2.649 2.000 7.833 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.603 2.476 9.306 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.742 0.782 7.646 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.482 1.297 10.286 1.00 0.00 C ATOM 0 H ILE C 33 4.409 3.698 7.605 1.00 0.00 H new ATOM 0 HA ILE C 33 4.497 0.929 8.158 1.00 0.00 H new ATOM 0 HB ILE C 33 2.300 2.814 7.198 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.505 3.045 9.532 1.00 0.00 H new ATOM 0 HG13 ILE C 33 1.758 3.151 9.443 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.722 1.041 7.930 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.760 0.472 6.601 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.097 -0.036 8.274 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.453 1.675 11.308 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.567 0.743 10.078 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.341 0.636 10.168 1.00 0.00 H new ATOM 1231 N GLY C 34 3.951 1.767 5.002 1.00 0.00 N ATOM 1232 CA GLY C 34 3.941 1.226 3.644 1.00 0.00 C ATOM 1233 C GLY C 34 5.280 0.580 3.301 1.00 0.00 C ATOM 1234 O GLY C 34 5.331 -0.541 2.792 1.00 0.00 O ATOM 0 H GLY C 34 3.845 2.780 5.060 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.143 0.490 3.548 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.726 2.024 2.933 1.00 0.00 H new ATOM 1238 N ILE C 35 6.363 1.293 3.593 1.00 0.00 N ATOM 1239 CA ILE C 35 7.703 0.783 3.320 1.00 0.00 C ATOM 1240 C ILE C 35 7.971 -0.467 4.153 1.00 0.00 C ATOM 1241 O ILE C 35 8.532 -1.448 3.661 1.00 0.00 O ATOM 1242 CB ILE C 35 8.743 1.861 3.640 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.593 3.018 2.649 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.152 1.269 3.518 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.371 4.236 3.154 1.00 0.00 C ATOM 0 H ILE C 35 6.340 2.221 4.016 1.00 0.00 H new ATOM 0 HA ILE C 35 7.774 0.521 2.264 1.00 0.00 H new ATOM 0 HB ILE C 35 8.589 2.224 4.656 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.963 2.719 1.668 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.540 3.272 2.529 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.891 2.038 3.746 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.261 0.442 4.219 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.308 0.906 2.502 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.261 5.057 2.446 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.980 4.540 4.125 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.426 3.979 3.251 1.00 0.00 H new ATOM 1257 N LEU C 36 7.570 -0.425 5.419 1.00 0.00 N ATOM 1258 CA LEU C 36 7.777 -1.560 6.308 1.00 0.00 C ATOM 1259 C LEU C 36 7.051 -2.787 5.769 1.00 0.00 C ATOM 1260 O LEU C 36 7.570 -3.900 5.823 1.00 0.00 O ATOM 1261 CB LEU C 36 7.264 -1.232 7.716 1.00 0.00 C ATOM 1262 CG LEU C 36 7.437 -2.444 8.647 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.910 -2.882 8.694 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.966 -2.061 10.054 1.00 0.00 C ATOM 0 H LEU C 36 7.104 0.375 5.849 1.00 0.00 H new ATOM 0 HA LEU C 36 8.845 -1.771 6.360 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.807 -0.377 8.118 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.213 -0.948 7.670 1.00 0.00 H new ATOM 0 HG LEU C 36 6.843 -3.275 8.268 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.013 -3.741 9.358 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.240 -3.156 7.692 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.522 -2.060 9.066 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.085 -2.914 10.722 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.562 -1.226 10.422 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.916 -1.770 10.020 1.00 0.00 H new ATOM 1276 N HIS C 37 5.848 -2.575 5.246 1.00 0.00 N ATOM 1277 CA HIS C 37 5.064 -3.674 4.701 1.00 0.00 C ATOM 1278 C HIS C 37 5.842 -4.377 3.598 1.00 0.00 C ATOM 1279 O HIS C 37 5.835 -5.605 3.506 1.00 0.00 O ATOM 1280 CB HIS C 37 3.751 -3.145 4.130 1.00 0.00 C ATOM 1281 CG HIS C 37 2.942 -4.299 3.603 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.705 -4.635 4.122 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.187 -5.208 2.607 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.260 -5.706 3.442 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.124 -6.095 2.507 1.00 0.00 N ATOM 0 H HIS C 37 5.399 -1.661 5.189 1.00 0.00 H new ATOM 0 HA HIS C 37 4.854 -4.382 5.503 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.192 -2.615 4.901 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.949 -2.429 3.332 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.074 -5.231 1.992 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.315 -6.193 3.632 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.026 -6.876 1.858 1.00 0.00 H new ATOM 1293 N LEU C 38 6.513 -3.597 2.763 1.00 0.00 N ATOM 1294 CA LEU C 38 7.291 -4.159 1.666 1.00 0.00 C ATOM 1295 C LEU C 38 8.383 -5.080 2.191 1.00 0.00 C ATOM 1296 O LEU C 38 8.650 -6.118 1.597 1.00 0.00 O ATOM 1297 CB LEU C 38 7.915 -3.027 0.827 1.00 0.00 C ATOM 1298 CG LEU C 38 6.952 -2.614 -0.308 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.245 -1.185 -0.747 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.131 -3.552 -1.514 1.00 0.00 C ATOM 0 H LEU C 38 6.535 -2.579 2.822 1.00 0.00 H new ATOM 0 HA LEU C 38 6.621 -4.745 1.037 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.129 -2.168 1.463 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.865 -3.357 0.406 1.00 0.00 H new ATOM 0 HG LEU C 38 5.929 -2.681 0.062 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.561 -0.903 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.112 -0.510 0.099 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.272 -1.118 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.449 -3.255 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.158 -3.490 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.913 -4.577 -1.213 1.00 0.00 H new ATOM 1312 N ILE C 39 9.018 -4.697 3.287 1.00 0.00 N ATOM 1313 CA ILE C 39 10.085 -5.519 3.836 1.00 0.00 C ATOM 1314 C ILE C 39 9.545 -6.893 4.235 1.00 0.00 C ATOM 1315 O ILE C 39 10.164 -7.917 3.952 1.00 0.00 O ATOM 1316 CB ILE C 39 10.685 -4.828 5.060 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.359 -3.527 4.616 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.732 -5.741 5.707 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.767 -2.709 5.843 1.00 0.00 C ATOM 0 H ILE C 39 8.820 -3.841 3.805 1.00 0.00 H new ATOM 0 HA ILE C 39 10.855 -5.651 3.076 1.00 0.00 H new ATOM 0 HB ILE C 39 9.896 -4.614 5.781 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.236 -3.750 4.008 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.678 -2.948 3.992 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.158 -5.245 6.579 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.261 -6.675 6.014 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.523 -5.954 4.988 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.246 -1.784 5.521 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.882 -2.473 6.433 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.464 -3.287 6.450 1.00 0.00 H new ATOM 1331 N LEU C 40 8.394 -6.915 4.897 1.00 0.00 N ATOM 1332 CA LEU C 40 7.797 -8.181 5.317 1.00 0.00 C ATOM 1333 C LEU C 40 7.204 -8.937 4.123 1.00 0.00 C ATOM 1334 O LEU C 40 7.383 -10.148 3.996 1.00 0.00 O ATOM 1335 CB LEU C 40 6.707 -7.923 6.368 1.00 0.00 C ATOM 1336 CG LEU C 40 7.340 -7.763 7.755 1.00 0.00 C ATOM 1337 CD1 LEU C 40 8.261 -6.539 7.764 1.00 0.00 C ATOM 1338 CD2 LEU C 40 6.237 -7.579 8.795 1.00 0.00 C ATOM 0 H LEU C 40 7.860 -6.084 5.153 1.00 0.00 H new ATOM 0 HA LEU C 40 8.582 -8.798 5.753 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.147 -7.024 6.109 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.997 -8.750 6.377 1.00 0.00 H new ATOM 0 HG LEU C 40 7.923 -8.653 7.993 1.00 0.00 H new ATOM 0 HD11 LEU C 40 8.709 -6.428 8.751 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.048 -6.670 7.021 1.00 0.00 H new ATOM 0 HD13 LEU C 40 7.682 -5.646 7.526 1.00 0.00 H new ATOM 0 HD21 LEU C 40 6.684 -7.465 9.783 1.00 0.00 H new ATOM 0 HD22 LEU C 40 5.655 -6.689 8.555 1.00 0.00 H new ATOM 0 HD23 LEU C 40 5.584 -8.452 8.791 1.00 0.00 H new ATOM 1350 N TRP C 41 6.489 -8.219 3.259 1.00 0.00 N ATOM 1351 CA TRP C 41 5.863 -8.841 2.096 1.00 0.00 C ATOM 1352 C TRP C 41 6.906 -9.357 1.110 1.00 0.00 C ATOM 1353 O TRP C 41 6.807 -10.486 0.627 1.00 0.00 O ATOM 1354 CB TRP C 41 4.939 -7.830 1.407 1.00 0.00 C ATOM 1355 CG TRP C 41 4.452 -8.389 0.106 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.392 -9.217 -0.043 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.966 -8.141 -1.231 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.245 -9.516 -1.385 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.186 -8.869 -2.157 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.029 -7.364 -1.726 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.453 -8.828 -3.522 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.292 -7.318 -3.102 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.506 -8.049 -3.995 1.00 0.00 C ATOM 0 H TRP C 41 6.330 -7.215 3.341 1.00 0.00 H new ATOM 0 HA TRP C 41 5.280 -9.696 2.438 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.092 -7.599 2.053 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.473 -6.895 1.234 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.764 -9.584 0.755 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.528 -10.139 -1.758 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.646 -6.800 -1.042 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.847 -9.397 -4.211 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.107 -6.714 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.715 -8.010 -5.054 1.00 0.00 H new ATOM 1374 N ILE C 42 7.893 -8.530 0.804 1.00 0.00 N ATOM 1375 CA ILE C 42 8.934 -8.923 -0.136 1.00 0.00 C ATOM 1376 C ILE C 42 9.738 -10.089 0.426 1.00 0.00 C ATOM 1377 O ILE C 42 10.200 -10.954 -0.318 1.00 0.00 O ATOM 1378 CB ILE C 42 9.864 -7.733 -0.427 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.688 -8.018 -1.688 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.819 -7.496 0.756 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.447 -6.751 -2.081 1.00 0.00 C ATOM 0 H ILE C 42 7.996 -7.591 1.188 1.00 0.00 H new ATOM 0 HA ILE C 42 8.463 -9.237 -1.067 1.00 0.00 H new ATOM 0 HB ILE C 42 9.253 -6.843 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.387 -8.834 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.035 -8.334 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.470 -6.651 0.534 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.240 -7.282 1.654 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.425 -8.388 0.919 1.00 0.00 H new ATOM 0 HD11 ILE C 42 12.037 -6.943 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.737 -5.948 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.110 -6.457 -1.267 1.00 0.00 H new ATOM 1393 N LEU C 43 9.904 -10.103 1.744 1.00 0.00 N ATOM 1394 CA LEU C 43 10.658 -11.169 2.390 1.00 0.00 C ATOM 1395 C LEU C 43 9.995 -12.515 2.140 1.00 0.00 C ATOM 1396 O LEU C 43 10.666 -13.497 1.832 1.00 0.00 O ATOM 1397 CB LEU C 43 10.752 -10.909 3.902 1.00 0.00 C ATOM 1398 CG LEU C 43 11.472 -12.073 4.606 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.860 -12.295 3.983 1.00 0.00 C ATOM 1400 CD2 LEU C 43 11.624 -11.737 6.094 1.00 0.00 C ATOM 0 H LEU C 43 9.531 -9.397 2.379 1.00 0.00 H new ATOM 0 HA LEU C 43 11.662 -11.187 1.967 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.289 -9.978 4.084 1.00 0.00 H new ATOM 0 HB3 LEU C 43 9.752 -10.787 4.319 1.00 0.00 H new ATOM 0 HG LEU C 43 10.886 -12.985 4.488 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.359 -13.121 4.490 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.750 -12.532 2.925 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.457 -11.389 4.092 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.133 -12.556 6.602 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.208 -10.823 6.203 1.00 0.00 H new ATOM 0 HD23 LEU C 43 10.639 -11.592 6.537 1.00 0.00 H new ATOM 1412 N ASP C 44 8.676 -12.556 2.273 1.00 0.00 N ATOM 1413 CA ASP C 44 7.946 -13.796 2.054 1.00 0.00 C ATOM 1414 C ASP C 44 8.078 -14.245 0.603 1.00 0.00 C ATOM 1415 O ASP C 44 8.246 -15.432 0.324 1.00 0.00 O ATOM 1416 CB ASP C 44 6.473 -13.602 2.407 1.00 0.00 C ATOM 1417 CG ASP C 44 5.767 -14.951 2.441 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.451 -15.957 2.360 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.552 -14.957 2.546 1.00 0.00 O ATOM 0 H ASP C 44 8.097 -11.756 2.528 1.00 0.00 H new ATOM 0 HA ASP C 44 8.370 -14.567 2.697 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.384 -13.110 3.376 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.997 -12.951 1.674 1.00 0.00 H new ATOM 1424 N ARG C 45 8.001 -13.289 -0.316 1.00 0.00 N ATOM 1425 CA ARG C 45 8.112 -13.597 -1.736 1.00 0.00 C ATOM 1426 C ARG C 45 9.548 -13.975 -2.092 1.00 0.00 C ATOM 1427 O ARG C 45 9.793 -14.639 -3.100 1.00 0.00 O ATOM 1428 CB ARG C 45 7.678 -12.386 -2.565 1.00 0.00 C ATOM 1429 CG ARG C 45 7.698 -12.743 -4.055 1.00 0.00 C ATOM 1430 CD ARG C 45 7.217 -11.548 -4.877 1.00 0.00 C ATOM 1431 NE ARG C 45 7.070 -11.929 -6.277 1.00 0.00 N ATOM 1432 CZ ARG C 45 6.967 -11.011 -7.232 1.00 0.00 C ATOM 1433 NH1 ARG C 45 6.995 -9.744 -6.924 1.00 0.00 N ATOM 1434 NH2 ARG C 45 6.836 -11.378 -8.477 1.00 0.00 N ATOM 0 H ARG C 45 7.863 -12.301 -0.105 1.00 0.00 H new ATOM 0 HA ARG C 45 7.462 -14.443 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.677 -12.072 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.345 -11.545 -2.374 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.707 -13.023 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG C 45 7.058 -13.606 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.264 -11.189 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG C 45 7.928 -10.726 -4.788 1.00 0.00 H new ATOM 0 HE ARG C 45 7.046 -12.917 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG C 45 7.096 -9.458 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG C 45 6.916 -9.039 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG C 45 6.813 -12.369 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG C 45 6.757 -10.674 -9.211 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.188 12.242 2.719 1.00 0.00 N ATOM 1638 CA VAL D 27 -4.949 11.732 3.295 1.00 0.00 C ATOM 1639 C VAL D 27 -5.250 10.837 4.496 1.00 0.00 C ATOM 1640 O VAL D 27 -4.679 9.754 4.632 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.067 12.899 3.735 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -2.819 12.366 4.442 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.651 13.712 2.507 1.00 0.00 C ATOM 0 HA VAL D 27 -4.427 11.145 2.539 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.625 13.535 4.423 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.193 13.202 4.754 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.116 11.788 5.317 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.258 11.728 3.759 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.021 14.545 2.819 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.095 13.074 1.820 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.540 14.096 2.007 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.146 11.295 5.362 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.510 10.524 6.546 1.00 0.00 C ATOM 1655 C VAL D 28 -7.142 9.195 6.143 1.00 0.00 C ATOM 1656 O VAL D 28 -6.809 8.146 6.695 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.489 11.322 7.412 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -7.971 10.456 8.581 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -6.786 12.566 7.958 1.00 0.00 C ATOM 0 H VAL D 28 -6.630 12.188 5.269 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.605 10.323 7.120 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.345 11.620 6.807 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.667 11.028 9.194 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.472 9.569 8.194 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.117 10.155 9.187 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.481 13.136 8.575 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -5.929 12.265 8.561 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.446 13.185 7.128 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.056 9.247 5.181 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.728 8.038 4.717 1.00 0.00 C ATOM 1671 C ALA D 29 -7.726 7.071 4.097 1.00 0.00 C ATOM 1672 O ALA D 29 -7.814 5.859 4.293 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.795 8.395 3.682 1.00 0.00 C ATOM 0 H ALA D 29 -8.347 10.104 4.711 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.199 7.559 5.575 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.291 7.486 3.342 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.530 9.062 4.132 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.326 8.892 2.833 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.772 7.611 3.346 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.765 6.778 2.700 1.00 0.00 C ATOM 1681 C ALA D 30 -4.901 6.069 3.740 1.00 0.00 C ATOM 1682 O ALA D 30 -4.579 4.890 3.589 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.879 7.640 1.798 1.00 0.00 C ATOM 0 H ALA D 30 -6.675 8.611 3.171 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.275 6.025 2.099 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.128 7.012 1.318 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.493 8.119 1.035 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.384 8.404 2.397 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.529 6.792 4.792 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.705 6.212 5.846 1.00 0.00 C ATOM 1691 C ASN D 31 -4.449 5.083 6.550 1.00 0.00 C ATOM 1692 O ASN D 31 -3.872 4.037 6.846 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.327 7.290 6.863 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.320 8.257 6.248 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.679 7.935 5.249 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.144 9.431 6.788 1.00 0.00 N ATOM 0 H ASN D 31 -4.782 7.770 4.937 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.801 5.806 5.393 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.218 7.832 7.179 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.902 6.828 7.754 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.474 10.084 6.382 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.677 9.696 7.617 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.730 5.304 6.813 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.551 4.299 7.482 1.00 0.00 C ATOM 1705 C ILE D 32 -6.694 3.058 6.607 1.00 0.00 C ATOM 1706 O ILE D 32 -6.609 1.931 7.093 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.936 4.874 7.794 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.800 5.974 8.849 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.845 3.766 8.336 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.116 6.744 8.957 1.00 0.00 C ATOM 0 H ILE D 32 -6.223 6.165 6.576 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.061 4.018 8.414 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.370 5.286 6.883 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.542 5.537 9.814 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.991 6.653 8.580 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.829 4.179 8.557 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.941 2.977 7.590 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.412 3.353 9.247 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.019 7.527 9.709 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.355 7.194 7.993 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.915 6.061 9.246 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.925 3.276 5.316 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.095 2.169 4.383 1.00 0.00 C ATOM 1724 C ILE D 33 -5.812 1.336 4.305 1.00 0.00 C ATOM 1725 O ILE D 33 -5.862 0.106 4.316 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.446 2.718 2.989 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.847 3.380 3.008 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.417 1.578 1.970 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.970 2.349 2.793 1.00 0.00 C ATOM 0 H ILE D 33 -6.998 4.202 4.895 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.905 1.531 4.736 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.712 3.473 2.707 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -8.997 3.887 3.961 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.899 4.142 2.230 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.666 1.966 0.982 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.421 1.137 1.946 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.144 0.817 2.254 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.936 2.854 2.813 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -9.836 1.861 1.828 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.934 1.602 3.586 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.667 2.009 4.228 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.389 1.306 4.147 1.00 0.00 C ATOM 1743 C GLY D 34 -3.130 0.498 5.418 1.00 0.00 C ATOM 1744 O GLY D 34 -2.766 -0.679 5.356 1.00 0.00 O ATOM 0 H GLY D 34 -4.597 3.027 4.220 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.389 0.642 3.283 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.583 2.024 3.997 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.326 1.138 6.565 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.118 0.475 7.848 1.00 0.00 C ATOM 1750 C ILE D 35 -4.103 -0.680 8.010 1.00 0.00 C ATOM 1751 O ILE D 35 -3.739 -1.764 8.471 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.299 1.480 8.989 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.169 2.513 8.933 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.251 0.749 10.334 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.514 3.705 9.827 1.00 0.00 C ATOM 0 H ILE D 35 -3.627 2.110 6.634 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.103 0.078 7.879 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.262 1.979 8.884 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.233 2.060 9.260 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.020 2.847 7.906 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.380 1.468 11.143 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.050 0.009 10.375 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.288 0.249 10.442 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.708 4.437 9.784 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.440 4.164 9.480 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.641 3.364 10.855 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.354 -0.439 7.632 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.380 -1.469 7.743 1.00 0.00 C ATOM 1769 C LEU D 36 -6.003 -2.680 6.899 1.00 0.00 C ATOM 1770 O LEU D 36 -6.198 -3.822 7.313 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.735 -0.919 7.281 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.815 -2.015 7.355 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.912 -2.579 8.781 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.162 -1.413 6.940 1.00 0.00 C ATOM 0 H LEU D 36 -5.679 0.449 7.251 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.456 -1.772 8.787 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.023 -0.073 7.906 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.654 -0.548 6.259 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.549 -2.830 6.682 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.680 -3.352 8.815 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -7.952 -3.008 9.069 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.173 -1.778 9.472 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.934 -2.181 6.989 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.419 -0.596 7.615 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.092 -1.033 5.921 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.458 -2.423 5.715 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.059 -3.504 4.823 1.00 0.00 C ATOM 1788 C HIS D 37 -4.055 -4.413 5.519 1.00 0.00 C ATOM 1789 O HIS D 37 -4.120 -5.635 5.396 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.424 -2.930 3.559 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.049 -4.060 2.639 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.607 -4.211 1.382 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.178 -5.108 2.788 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.071 -5.314 0.833 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.192 -5.897 1.646 1.00 0.00 N ATOM 0 H HIS D 37 -5.284 -1.485 5.354 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.945 -4.080 4.556 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.121 -2.255 3.061 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.541 -2.344 3.815 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.572 -5.292 3.663 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.323 -5.684 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.647 -6.741 1.468 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.127 -3.810 6.250 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.110 -4.579 6.956 1.00 0.00 C ATOM 1805 C LEU D 38 -2.744 -5.522 7.965 1.00 0.00 C ATOM 1806 O LEU D 38 -2.288 -6.650 8.125 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.132 -3.624 7.672 1.00 0.00 C ATOM 1808 CG LEU D 38 0.046 -3.271 6.739 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.661 -1.943 7.159 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.122 -4.364 6.819 1.00 0.00 C ATOM 0 H LEU D 38 -3.057 -2.799 6.369 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.564 -5.176 6.226 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.653 -2.715 7.971 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.757 -4.091 8.583 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.328 -3.196 5.718 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.492 -1.701 6.496 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.093 -1.158 7.099 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.025 -2.018 8.184 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.950 -4.108 6.158 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.486 -4.442 7.843 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.694 -5.319 6.512 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.781 -5.065 8.646 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.429 -5.908 9.641 1.00 0.00 C ATOM 1824 C ILE D 39 -5.002 -7.164 8.981 1.00 0.00 C ATOM 1825 O ILE D 39 -4.849 -8.270 9.499 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.556 -5.126 10.318 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.948 -3.960 11.105 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.311 -6.045 11.284 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.062 -3.037 11.603 1.00 0.00 C ATOM 0 H ILE D 39 -4.187 -4.136 8.534 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.691 -6.206 10.386 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.246 -4.749 9.563 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.372 -4.339 11.949 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.257 -3.403 10.473 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.114 -5.486 11.765 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.734 -6.884 10.732 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.623 -6.419 12.043 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.626 -2.209 12.162 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.619 -2.646 10.751 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.736 -3.597 12.251 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.663 -6.994 7.843 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.240 -8.133 7.137 1.00 0.00 C ATOM 1843 C LEU D 40 -5.154 -8.977 6.459 1.00 0.00 C ATOM 1844 O LEU D 40 -5.182 -10.206 6.524 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.252 -7.644 6.089 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.605 -7.370 6.754 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -8.457 -6.246 7.783 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.616 -6.954 5.687 1.00 0.00 C ATOM 0 H LEU D 40 -5.812 -6.091 7.393 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.749 -8.760 7.869 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.883 -6.737 5.610 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.368 -8.393 5.306 1.00 0.00 H new ATOM 0 HG LEU D 40 -8.952 -8.273 7.256 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.421 -6.054 8.254 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -7.734 -6.542 8.544 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.110 -5.341 7.285 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.580 -6.758 6.156 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.266 -6.051 5.186 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -9.724 -7.755 4.956 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.208 -8.310 5.802 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.134 -9.012 5.104 1.00 0.00 C ATOM 1862 C TRP D 41 -2.217 -9.745 6.081 1.00 0.00 C ATOM 1863 O TRP D 41 -1.884 -10.911 5.873 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.324 -8.016 4.270 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.104 -8.684 3.716 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.062 -9.421 2.581 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.254 -8.658 4.235 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.230 -9.873 2.391 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.077 -9.420 3.379 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.843 -8.054 5.360 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.437 -9.578 3.630 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.214 -8.207 5.610 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.008 -8.968 4.748 1.00 0.00 C ATOM 0 H TRP D 41 -4.163 -7.293 5.738 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.585 -9.757 4.449 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.937 -7.627 3.457 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.034 -7.165 4.886 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.901 -9.623 1.931 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.521 -10.468 1.615 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.236 -7.469 6.035 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.047 -10.169 2.963 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.659 -7.734 6.473 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.063 -9.084 4.947 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.809 -9.057 7.138 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.924 -9.663 8.125 1.00 0.00 C ATOM 1886 C ILE D 42 -1.629 -10.819 8.824 1.00 0.00 C ATOM 1887 O ILE D 42 -1.001 -11.811 9.194 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.483 -8.612 9.156 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.733 -9.128 9.933 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.625 -8.317 10.146 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.285 -7.999 10.802 1.00 0.00 C ATOM 0 H ILE D 42 -2.072 -8.091 7.334 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.041 -10.048 7.615 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.223 -7.695 8.626 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.450 -9.977 10.555 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.499 -9.480 9.242 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.296 -7.571 10.869 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.490 -7.938 9.601 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.899 -9.233 10.669 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.151 -8.358 11.358 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.582 -7.164 10.168 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.516 -7.669 11.501 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.939 -10.681 9.007 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.714 -11.722 9.669 1.00 0.00 C ATOM 1905 C LEU D 43 -3.638 -13.021 8.879 1.00 0.00 C ATOM 1906 O LEU D 43 -3.456 -14.094 9.453 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.180 -11.284 9.806 1.00 0.00 C ATOM 1908 CG LEU D 43 -6.024 -12.410 10.425 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.433 -12.840 11.776 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.459 -11.907 10.626 1.00 0.00 C ATOM 0 H LEU D 43 -3.480 -9.869 8.710 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.296 -11.886 10.662 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.242 -10.391 10.428 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.579 -11.019 8.827 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.022 -13.270 9.755 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.041 -13.638 12.202 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.414 -13.199 11.630 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -5.423 -11.989 12.456 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -8.064 -12.700 11.065 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.452 -11.045 11.293 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.882 -11.618 9.664 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.777 -12.923 7.565 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.721 -14.106 6.721 1.00 0.00 C ATOM 1924 C ASP D 44 -2.336 -14.746 6.790 1.00 0.00 C ATOM 1925 O ASP D 44 -2.211 -15.969 6.843 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.047 -13.732 5.277 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.254 -14.994 4.449 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -4.295 -16.063 5.035 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.367 -14.873 3.240 1.00 0.00 O ATOM 0 H ASP D 44 -3.928 -12.047 7.065 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.457 -14.825 7.081 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -4.945 -13.115 5.246 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.237 -13.138 4.854 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.304 -13.910 6.789 1.00 0.00 N ATOM 1935 CA ARG D 45 0.065 -14.407 6.853 1.00 0.00 C ATOM 1936 C ARG D 45 0.374 -14.957 8.243 1.00 0.00 C ATOM 1937 O ARG D 45 1.289 -15.764 8.412 1.00 0.00 O ATOM 1938 CB ARG D 45 1.042 -13.275 6.522 1.00 0.00 C ATOM 1939 CG ARG D 45 2.474 -13.819 6.487 1.00 0.00 C ATOM 1940 CD ARG D 45 3.440 -12.696 6.110 1.00 0.00 C ATOM 1941 NE ARG D 45 4.781 -13.235 5.910 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.845 -12.441 5.878 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.700 -11.152 6.027 1.00 0.00 N ATOM 1944 NH2 ARG D 45 7.032 -12.949 5.699 1.00 0.00 N ATOM 0 H ARG D 45 -1.387 -12.894 6.745 1.00 0.00 H new ATOM 0 HA ARG D 45 0.175 -15.211 6.126 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.788 -12.833 5.559 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.962 -12.484 7.267 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.741 -14.231 7.460 1.00 0.00 H new ATOM 0 HG3 ARG D 45 2.547 -14.633 5.766 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.099 -12.202 5.200 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.457 -11.941 6.896 1.00 0.00 H new ATOM 0 HE ARG D 45 4.904 -14.241 5.793 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.771 -10.756 6.168 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.516 -10.541 6.003 1.00 0.00 H new ATOM 0 HH21 ARG D 45 7.144 -13.956 5.584 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.849 -12.339 5.674 1.00 0.00 H new